data_17606 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17606 _Entry.PDB_ID 2LCC 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 17606 _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 ASP N N 2 121.539 121.539 121.746 -0.207 17606 2 1 1 . 1 1 2 2 ASP HA H 2 4.555 4.555 5.272 -0.717 17606 3 1 1 . 1 1 2 2 ASP C C 2 176.030 176.030 175.355 0.675 17606 4 1 1 . 1 1 2 2 ASP CA C 2 54.553 54.553 53.367 1.186 17606 5 1 1 . 1 1 2 2 ASP CB C 2 41.304 41.304 42.724 -1.420 17606 6 1 1 . 1 1 2 2 ASP H H 2 8.515 8.515 8.605 -0.090 17606 7 1 1 . 1 1 3 3 MET N N 3 120.469 120.469 117.704 2.765 17606 8 1 1 . 1 1 3 3 MET HA H 3 4.472 4.472 4.908 -0.436 17606 9 1 1 . 1 1 3 3 MET C C 3 176.040 176.040 174.074 1.966 17606 10 1 1 . 1 1 3 3 MET CA C 3 55.373 55.373 54.649 0.724 17606 11 1 1 . 1 1 3 3 MET CB C 3 33.196 33.196 35.316 -2.119 17606 12 1 1 . 1 1 3 3 MET H H 3 8.340 8.340 8.259 0.081 17606 13 1 1 . 1 1 4 4 GLU N N 4 123.512 123.512 122.460 1.052 17606 14 1 1 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.558 -0.020 17606 15 1 1 . 1 1 4 4 GLU C C 4 174.592 174.592 175.349 -0.757 17606 16 1 1 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.907 -0.353 17606 17 1 1 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.823 -0.177 17606 18 1 1 . 1 1 4 4 GLU H H 4 8.424 8.424 8.462 -0.038 17606 19 1 1 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.471 -0.069 17606 20 1 1 . 1 1 5 5 PRO C C 5 176.669 176.669 176.550 0.119 17606 21 1 1 . 1 1 5 5 PRO CA C 5 63.491 63.491 62.374 1.117 17606 22 1 1 . 1 1 5 5 PRO CB C 5 32.002 32.002 32.395 -0.393 17606 23 1 1 . 1 1 6 6 CYS N N 6 119.970 119.970 120.810 -0.840 17606 24 1 1 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.436 0.086 17606 25 1 1 . 1 1 6 6 CYS C C 6 175.020 175.020 174.675 0.345 17606 26 1 1 . 1 1 6 6 CYS CA C 6 58.662 58.662 59.130 -0.468 17606 27 1 1 . 1 1 6 6 CYS CB C 6 27.638 27.638 26.268 1.370 17606 28 1 1 . 1 1 6 6 CYS H H 6 8.539 8.539 8.642 -0.103 17606 29 1 1 . 1 1 7 7 LEU N N 7 125.146 125.146 119.904 5.242 17606 30 1 1 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.100 0.333 17606 31 1 1 . 1 1 7 7 LEU C C 7 178.244 178.244 175.764 2.480 17606 32 1 1 . 1 1 7 7 LEU CA C 7 55.361 55.361 55.099 0.262 17606 33 1 1 . 1 1 7 7 LEU CB C 7 42.687 42.687 38.938 3.749 17606 34 1 1 . 1 1 7 7 LEU H H 7 8.649 8.649 8.215 0.434 17606 35 1 1 . 1 1 8 8 THR N N 8 116.760 116.760 111.596 5.164 17606 36 1 1 . 1 1 8 8 THR HA H 8 3.966 3.966 4.591 -0.625 17606 37 1 1 . 1 1 8 8 THR C C 8 175.108 175.108 176.722 -1.614 17606 38 1 1 . 1 1 8 8 THR CA C 8 64.244 64.244 62.016 2.228 17606 39 1 1 . 1 1 8 8 THR CB C 8 69.071 69.071 69.524 -0.453 17606 40 1 1 . 1 1 8 8 THR H H 8 8.124 8.124 7.623 0.501 17606 41 1 1 . 1 1 9 9 GLY N N 9 113.810 113.810 111.548 2.262 17606 42 1 1 . 1 1 9 9 GLY C C 9 174.510 174.510 174.533 -0.023 17606 43 1 1 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.093 -0.081 17606 44 1 1 . 1 1 9 9 GLY H H 9 9.095 9.095 8.941 0.154 17606 45 1 1 . 1 1 10 10 THR N N 10 116.938 116.938 120.357 -3.419 17606 46 1 1 . 1 1 10 10 THR HA H 10 4.179 4.179 4.523 -0.344 17606 47 1 1 . 1 1 10 10 THR C C 10 173.450 173.450 173.377 0.073 17606 48 1 1 . 1 1 10 10 THR CA C 10 64.192 64.192 62.288 1.904 17606 49 1 1 . 1 1 10 10 THR CB C 10 70.093 70.093 68.939 1.154 17606 50 1 1 . 1 1 10 10 THR H H 10 8.002 8.002 7.680 0.322 17606 51 1 1 . 1 1 11 11 LYS N N 11 127.263 127.263 127.573 -0.310 17606 52 1 1 . 1 1 11 11 LYS HA H 11 4.826 4.826 5.021 -0.195 17606 53 1 1 . 1 1 11 11 LYS C C 11 176.157 176.157 175.350 0.807 17606 54 1 1 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.341 1.400 17606 55 1 1 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.787 -1.232 17606 56 1 1 . 1 1 11 11 LYS H H 11 8.514 8.514 8.451 0.063 17606 57 1 1 . 1 1 12 12 VAL N N 12 116.892 116.892 117.127 -0.235 17606 58 1 1 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.294 0.296 17606 59 1 1 . 1 1 12 12 VAL C C 12 174.476 174.476 174.150 0.326 17606 60 1 1 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.259 -0.047 17606 61 1 1 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.461 0.083 17606 62 1 1 . 1 1 12 12 VAL H H 12 8.738 8.738 9.043 -0.305 17606 63 1 1 . 1 1 13 13 LYS N N 13 118.427 118.427 120.934 -2.507 17606 64 1 1 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.001 0.122 17606 65 1 1 . 1 1 13 13 LYS C C 13 174.853 174.853 174.980 -0.127 17606 66 1 1 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.269 0.714 17606 67 1 1 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.325 1.462 17606 68 1 1 . 1 1 13 13 LYS H H 13 7.677 7.677 8.074 -0.397 17606 69 1 1 . 1 1 14 14 VAL N N 14 120.913 120.913 125.500 -4.587 17606 70 1 1 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.701 0.125 17606 71 1 1 . 1 1 14 14 VAL C C 14 175.645 175.645 174.146 1.499 17606 72 1 1 . 1 1 14 14 VAL CA C 14 60.391 60.391 61.054 -0.663 17606 73 1 1 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.304 0.723 17606 74 1 1 . 1 1 14 14 VAL H H 14 9.178 9.178 9.274 -0.096 17606 75 1 1 . 1 1 15 15 LYS N N 15 125.862 125.862 126.648 -0.786 17606 76 1 1 . 1 1 15 15 LYS HA H 15 4.582 4.582 5.042 -0.460 17606 77 1 1 . 1 1 15 15 LYS C C 15 175.430 175.430 174.918 0.512 17606 78 1 1 . 1 1 15 15 LYS CA C 15 56.691 56.691 54.415 2.276 17606 79 1 1 . 1 1 15 15 LYS CB C 15 33.764 33.764 35.866 -2.102 17606 80 1 1 . 1 1 15 15 LYS H H 15 9.010 9.010 8.874 0.136 17606 81 1 1 . 1 1 16 16 TYR N N 16 127.499 127.499 124.803 2.696 17606 82 1 1 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.601 0.037 17606 83 1 1 . 1 1 16 16 TYR C C 16 175.096 175.096 173.347 1.749 17606 84 1 1 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.869 0.479 17606 85 1 1 . 1 1 16 16 TYR CB C 16 42.493 42.493 42.757 -0.264 17606 86 1 1 . 1 1 16 16 TYR H H 16 9.305 9.305 8.699 0.606 17606 87 1 1 . 1 1 17 17 GLY N N 17 115.501 115.501 115.244 0.257 17606 88 1 1 . 1 1 17 17 GLY C C 17 173.380 173.380 172.014 1.366 17606 89 1 1 . 1 1 17 17 GLY CA C 17 44.216 44.216 44.862 -0.646 17606 90 1 1 . 1 1 17 17 GLY H H 17 8.383 8.383 8.336 0.047 17606 91 1 1 . 1 1 18 18 ARG N N 18 117.847 117.847 124.717 -6.870 17606 92 1 1 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.745 -0.140 17606 93 1 1 . 1 1 18 18 ARG C C 18 175.941 175.941 175.952 -0.011 17606 94 1 1 . 1 1 18 18 ARG CA C 18 55.340 55.340 55.071 0.270 17606 95 1 1 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.559 1.627 17606 96 1 1 . 1 1 18 18 ARG H H 18 8.305 8.305 8.735 -0.430 17606 97 1 1 . 1 1 19 19 GLY N N 19 110.572 110.572 114.594 -4.022 17606 98 1 1 . 1 1 19 19 GLY C C 19 176.227 176.227 174.728 1.499 17606 99 1 1 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.187 -0.297 17606 100 1 1 . 1 1 19 19 GLY H H 19 8.857 8.857 8.632 0.225 17606 101 1 1 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.335 -0.151 17606 102 1 1 . 1 1 20 20 LYS C C 20 177.694 177.694 177.503 0.191 17606 103 1 1 . 1 1 20 20 LYS CA C 20 58.379 58.379 56.977 1.401 17606 104 1 1 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.772 -0.279 17606 105 1 1 . 1 1 20 20 LYS H H 20 6.723 6.723 8.427 -1.704 17606 106 1 1 . 1 1 21 21 THR N N 21 108.329 108.329 119.915 -11.586 17606 107 1 1 . 1 1 21 21 THR HA H 21 4.437 4.437 4.352 0.085 17606 108 1 1 . 1 1 21 21 THR C C 21 173.999 173.999 172.723 1.276 17606 109 1 1 . 1 1 21 21 THR CA C 21 60.895 60.895 62.936 -2.041 17606 110 1 1 . 1 1 21 21 THR CB C 21 68.907 68.907 67.502 1.405 17606 111 1 1 . 1 1 21 21 THR H H 21 7.839 7.839 7.721 0.118 17606 112 1 1 . 1 1 22 22 GLN N N 22 123.126 123.126 125.844 -2.718 17606 113 1 1 . 1 1 22 22 GLN HA H 22 4.430 4.430 5.376 -0.946 17606 114 1 1 . 1 1 22 22 GLN C C 22 175.190 175.190 174.542 0.648 17606 115 1 1 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.614 2.181 17606 116 1 1 . 1 1 22 22 GLN CB C 22 31.031 31.031 31.200 -0.169 17606 117 1 1 . 1 1 22 22 GLN H H 22 7.503 7.503 8.193 -0.690 17606 118 1 1 . 1 1 23 23 LYS N N 23 126.763 126.763 126.561 0.202 17606 119 1 1 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.458 0.079 17606 120 1 1 . 1 1 23 23 LYS C C 23 174.087 174.087 174.072 0.015 17606 121 1 1 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.515 -0.071 17606 122 1 1 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.906 0.589 17606 123 1 1 . 1 1 23 23 LYS H H 23 8.937 8.937 8.624 0.313 17606 124 1 1 . 1 1 24 24 ILE N N 24 120.287 120.287 119.548 0.739 17606 125 1 1 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.667 0.083 17606 126 1 1 . 1 1 24 24 ILE C C 24 175.772 175.772 175.122 0.650 17606 127 1 1 . 1 1 24 24 ILE CA C 24 59.920 59.920 60.231 -0.311 17606 128 1 1 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.061 0.193 17606 129 1 1 . 1 1 24 24 ILE H H 24 7.980 7.980 8.007 -0.027 17606 130 1 1 . 1 1 25 25 TYR N N 25 126.020 126.020 125.392 0.628 17606 131 1 1 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.647 0.424 17606 132 1 1 . 1 1 25 25 TYR C C 25 175.859 175.859 175.267 0.592 17606 133 1 1 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.821 0.039 17606 134 1 1 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.625 1.842 17606 135 1 1 . 1 1 25 25 TYR H H 25 8.885 8.885 9.039 -0.154 17606 136 1 1 . 1 1 26 26 GLU N N 26 121.186 121.186 120.172 1.014 17606 137 1 1 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.205 -0.563 17606 138 1 1 . 1 1 26 26 GLU C C 26 176.001 176.001 175.392 0.609 17606 139 1 1 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.833 1.295 17606 140 1 1 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.998 -1.275 17606 141 1 1 . 1 1 26 26 GLU H H 26 8.915 8.915 9.093 -0.178 17606 142 1 1 . 1 1 27 27 ALA N N 27 125.281 125.281 128.257 -2.976 17606 143 1 1 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.394 -0.424 17606 144 1 1 . 1 1 27 27 ALA C C 27 175.178 175.178 175.393 -0.215 17606 145 1 1 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.393 0.922 17606 146 1 1 . 1 1 27 27 ALA CB C 27 24.655 24.655 23.204 1.451 17606 147 1 1 . 1 1 27 27 ALA H H 27 8.834 8.834 9.263 -0.429 17606 148 1 1 . 1 1 28 28 SER N N 28 112.133 112.133 114.631 -2.498 17606 149 1 1 . 1 1 28 28 SER HA H 28 5.328 5.328 5.502 -0.174 17606 150 1 1 . 1 1 28 28 SER C C 28 174.404 174.404 174.266 0.138 17606 151 1 1 . 1 1 28 28 SER CA C 28 56.133 56.133 56.113 0.020 17606 152 1 1 . 1 1 28 28 SER CB C 28 66.075 66.075 65.020 1.054 17606 153 1 1 . 1 1 28 28 SER H H 28 8.529 8.529 8.964 -0.435 17606 154 1 1 . 1 1 29 29 ILE N N 29 122.044 122.044 124.610 -2.566 17606 155 1 1 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.006 0.136 17606 156 1 1 . 1 1 29 29 ILE C C 29 176.473 176.473 176.628 -0.155 17606 157 1 1 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.722 0.839 17606 158 1 1 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.743 1.281 17606 159 1 1 . 1 1 29 29 ILE H H 29 8.431 8.431 8.584 -0.153 17606 160 1 1 . 1 1 30 30 LYS N N 30 128.795 128.795 126.976 1.819 17606 161 1 1 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.355 0.055 17606 162 1 1 . 1 1 30 30 LYS C C 30 176.559 176.559 176.637 -0.078 17606 163 1 1 . 1 1 30 30 LYS CA C 30 57.009 57.009 57.520 -0.511 17606 164 1 1 . 1 1 30 30 LYS CB C 30 33.881 33.881 33.844 0.037 17606 165 1 1 . 1 1 30 30 LYS H H 30 9.687 9.687 8.986 0.701 17606 166 1 1 . 1 1 31 31 SER N N 31 111.044 111.044 111.860 -0.816 17606 167 1 1 . 1 1 31 31 SER HA H 31 4.671 4.671 4.722 -0.051 17606 168 1 1 . 1 1 31 31 SER C C 31 172.457 172.457 172.351 0.106 17606 169 1 1 . 1 1 31 31 SER CA C 31 57.353 57.353 57.395 -0.042 17606 170 1 1 . 1 1 31 31 SER CB C 31 64.824 64.824 66.557 -1.733 17606 171 1 1 . 1 1 31 31 SER H H 31 7.537 7.537 7.615 -0.078 17606 172 1 1 . 1 1 32 32 THR N N 32 113.911 113.911 116.738 -2.827 17606 173 1 1 . 1 1 32 32 THR HA H 32 5.564 5.564 4.912 0.652 17606 174 1 1 . 1 1 32 32 THR C C 32 173.003 173.003 173.604 -0.601 17606 175 1 1 . 1 1 32 32 THR CA C 32 60.589 60.589 61.385 -0.796 17606 176 1 1 . 1 1 32 32 THR CB C 32 72.217 72.217 71.530 0.687 17606 177 1 1 . 1 1 32 32 THR H H 32 8.237 8.237 8.125 0.112 17606 178 1 1 . 1 1 33 33 GLU N N 33 123.514 123.514 122.930 0.584 17606 179 1 1 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.708 -0.080 17606 180 1 1 . 1 1 33 33 GLU C C 33 173.487 173.487 174.229 -0.742 17606 181 1 1 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.772 0.684 17606 182 1 1 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.592 -0.493 17606 183 1 1 . 1 1 33 33 GLU H H 33 8.970 8.970 9.265 -0.295 17606 184 1 1 . 1 1 34 34 ILE N N 34 122.095 122.095 121.505 0.590 17606 185 1 1 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.763 -0.028 17606 186 1 1 . 1 1 34 34 ILE C C 34 175.620 175.620 175.166 0.454 17606 187 1 1 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.163 -0.116 17606 188 1 1 . 1 1 34 34 ILE CB C 34 38.657 38.657 38.683 -0.026 17606 189 1 1 . 1 1 34 34 ILE H H 34 8.505 8.505 8.620 -0.115 17606 190 1 1 . 1 1 35 35 ASP N N 35 127.840 127.840 129.036 -1.196 17606 191 1 1 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.819 -0.046 17606 192 1 1 . 1 1 35 35 ASP C C 35 175.804 175.804 175.420 0.384 17606 193 1 1 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.047 0.188 17606 194 1 1 . 1 1 35 35 ASP CB C 35 43.419 43.419 42.995 0.424 17606 195 1 1 . 1 1 35 35 ASP H H 35 8.948 8.948 9.015 -0.067 17606 196 1 1 . 1 1 36 36 ASP N N 36 127.315 127.315 127.989 -0.674 17606 197 1 1 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.354 -0.091 17606 198 1 1 . 1 1 36 36 ASP C C 36 175.993 175.993 176.546 -0.553 17606 199 1 1 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.559 0.561 17606 200 1 1 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.556 -0.897 17606 201 1 1 . 1 1 36 36 ASP H H 36 9.065 9.065 8.917 0.148 17606 202 1 1 . 1 1 37 37 GLY N N 37 103.112 103.112 106.774 -3.662 17606 203 1 1 . 1 1 37 37 GLY C C 37 173.541 173.541 173.863 -0.322 17606 204 1 1 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.375 0.096 17606 205 1 1 . 1 1 37 37 GLY H H 37 8.045 8.045 8.699 -0.654 17606 206 1 1 . 1 1 38 38 GLU N N 38 121.172 121.172 119.321 1.851 17606 207 1 1 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.635 0.016 17606 208 1 1 . 1 1 38 38 GLU C C 38 174.246 174.246 175.222 -0.976 17606 209 1 1 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.449 0.270 17606 210 1 1 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.202 0.003 17606 211 1 1 . 1 1 38 38 GLU H H 38 7.769 7.769 7.390 0.379 17606 212 1 1 . 1 1 39 39 VAL N N 39 123.983 123.983 121.430 2.553 17606 213 1 1 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.765 -0.555 17606 214 1 1 . 1 1 39 39 VAL C C 39 174.546 174.546 175.198 -0.652 17606 215 1 1 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.427 1.614 17606 216 1 1 . 1 1 39 39 VAL CB C 39 32.269 32.269 31.443 0.826 17606 217 1 1 . 1 1 39 39 VAL H H 39 8.455 8.455 8.671 -0.216 17606 218 1 1 . 1 1 40 40 LEU N N 40 127.105 127.105 127.116 -0.011 17606 219 1 1 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.014 0.078 17606 220 1 1 . 1 1 40 40 LEU C C 40 175.819 175.819 175.490 0.329 17606 221 1 1 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.746 -0.493 17606 222 1 1 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.897 1.593 17606 223 1 1 . 1 1 40 40 LEU H H 40 8.947 8.947 9.063 -0.116 17606 224 1 1 . 1 1 41 41 TYR N N 41 119.021 119.021 119.946 -0.925 17606 225 1 1 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.019 0.088 17606 226 1 1 . 1 1 41 41 TYR C C 41 173.968 173.968 174.516 -0.548 17606 227 1 1 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.009 -0.153 17606 228 1 1 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.615 -0.473 17606 229 1 1 . 1 1 41 41 TYR H H 41 9.337 9.337 9.557 -0.220 17606 230 1 1 . 1 1 42 42 LEU N N 42 128.770 128.770 123.363 5.407 17606 231 1 1 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.344 -0.371 17606 232 1 1 . 1 1 42 42 LEU C C 42 175.491 175.491 174.719 0.772 17606 233 1 1 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.798 0.569 17606 234 1 1 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.225 -3.529 17606 235 1 1 . 1 1 42 42 LEU H H 42 8.304 8.304 8.863 -0.559 17606 236 1 1 . 1 1 43 43 VAL N N 43 121.269 121.269 121.193 0.076 17606 237 1 1 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.888 0.092 17606 238 1 1 . 1 1 43 43 VAL C C 43 173.257 173.257 173.176 0.081 17606 239 1 1 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.756 -0.445 17606 240 1 1 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.088 -1.034 17606 241 1 1 . 1 1 43 43 VAL H H 43 8.847 8.847 8.984 -0.137 17606 242 1 1 . 1 1 44 44 HIS N N 44 118.126 118.126 122.801 -4.675 17606 243 1 1 . 1 1 44 44 HIS C C 44 174.272 174.272 174.469 -0.197 17606 244 1 1 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.872 0.447 17606 245 1 1 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.117 -1.101 17606 246 1 1 . 1 1 44 44 HIS H H 44 8.286 8.286 8.948 -0.662 17606 247 1 1 . 1 1 45 45 TYR N N 45 127.711 127.711 127.951 -0.240 17606 248 1 1 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.426 -0.327 17606 249 1 1 . 1 1 45 45 TYR C C 45 175.343 175.343 175.950 -0.607 17606 250 1 1 . 1 1 45 45 TYR CA C 45 58.240 58.240 57.725 0.515 17606 251 1 1 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.911 -0.411 17606 252 1 1 . 1 1 45 45 TYR H H 45 8.013 8.013 8.073 -0.060 17606 253 1 1 . 1 1 46 46 TYR N N 46 121.373 121.373 127.083 -5.710 17606 254 1 1 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.496 -0.282 17606 255 1 1 . 1 1 46 46 TYR CA C 46 58.945 58.945 59.075 -0.130 17606 256 1 1 . 1 1 46 46 TYR CB C 46 38.400 38.400 37.881 0.519 17606 257 1 1 . 1 1 46 46 TYR H H 46 7.842 7.842 8.586 -0.744 17606 258 1 1 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.371 0.776 17606 259 1 1 . 1 1 48 48 TRP N N 48 121.413 121.413 120.696 0.717 17606 260 1 1 . 1 1 48 48 TRP CA C 48 55.966 55.966 56.319 -0.353 17606 261 1 1 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.480 -0.081 17606 262 1 1 . 1 1 48 48 TRP H H 48 8.105 8.105 7.594 0.511 17606 263 1 1 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.975 0.199 17606 264 1 1 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.132 -0.249 17606 265 1 1 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.118 0.106 17606 266 1 1 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.307 -0.189 17606 267 1 1 . 1 1 51 51 ARG C C 51 176.010 176.010 178.419 -2.409 17606 268 1 1 . 1 1 51 51 ARG CA C 51 57.004 57.004 57.529 -0.525 17606 269 1 1 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.261 -0.327 17606 270 1 1 . 1 1 52 52 TYR N N 52 119.263 119.263 119.052 0.211 17606 271 1 1 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.374 0.262 17606 272 1 1 . 1 1 52 52 TYR CA C 52 58.000 58.000 59.405 -1.405 17606 273 1 1 . 1 1 52 52 TYR CB C 52 38.804 38.804 39.112 -0.308 17606 274 1 1 . 1 1 52 52 TYR H H 52 7.860 7.860 8.023 -0.163 17606 275 1 1 . 1 1 53 53 ASP N N 53 122.103 122.103 116.250 5.853 17606 276 1 1 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.189 0.788 17606 277 1 1 . 1 1 53 53 ASP CA C 53 55.272 55.272 55.882 -0.610 17606 278 1 1 . 1 1 53 53 ASP CB C 53 40.304 40.304 40.663 -0.359 17606 279 1 1 . 1 1 53 53 ASP H H 53 8.014 8.014 7.937 0.077 17606 280 1 1 . 1 1 54 54 GLU N N 54 119.733 119.733 119.941 -0.208 17606 281 1 1 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.653 0.120 17606 282 1 1 . 1 1 54 54 GLU C C 54 174.099 174.099 174.580 -0.481 17606 283 1 1 . 1 1 54 54 GLU CA C 54 54.878 54.878 55.051 -0.173 17606 284 1 1 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.504 0.627 17606 285 1 1 . 1 1 54 54 GLU H H 54 8.018 8.018 7.905 0.113 17606 286 1 1 . 1 1 55 55 TRP N N 55 124.675 124.675 122.479 2.196 17606 287 1 1 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.694 -0.450 17606 288 1 1 . 1 1 55 55 TRP C C 55 177.088 177.088 176.421 0.667 17606 289 1 1 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.330 0.059 17606 290 1 1 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.985 -1.572 17606 291 1 1 . 1 1 55 55 TRP H H 55 8.760 8.760 8.690 0.070 17606 292 1 1 . 1 1 56 56 VAL N N 56 119.873 119.873 116.774 3.099 17606 293 1 1 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.786 0.138 17606 294 1 1 . 1 1 56 56 VAL C C 56 174.866 174.866 173.726 1.140 17606 295 1 1 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.973 -0.005 17606 296 1 1 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.459 0.402 17606 297 1 1 . 1 1 56 56 VAL H H 56 10.006 10.006 9.023 0.983 17606 298 1 1 . 1 1 57 57 LYS N N 57 120.466 120.466 122.284 -1.818 17606 299 1 1 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.806 0.059 17606 300 1 1 . 1 1 57 57 LYS C C 57 178.120 178.120 177.812 0.308 17606 301 1 1 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.475 0.966 17606 302 1 1 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.839 -0.655 17606 303 1 1 . 1 1 57 57 LYS H H 57 8.361 8.361 8.378 -0.017 17606 304 1 1 . 1 1 58 58 ALA N N 58 120.318 120.318 125.503 -5.185 17606 305 1 1 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.189 -0.035 17606 306 1 1 . 1 1 58 58 ALA C C 58 179.508 179.508 179.097 0.411 17606 307 1 1 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.638 0.051 17606 308 1 1 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.678 0.796 17606 309 1 1 . 1 1 58 58 ALA H H 58 9.064 9.064 9.108 -0.044 17606 310 1 1 . 1 1 59 59 ASP N N 59 113.824 113.824 117.212 -3.388 17606 311 1 1 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.430 0.107 17606 312 1 1 . 1 1 59 59 ASP C C 59 177.499 177.499 177.030 0.469 17606 313 1 1 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.318 -0.665 17606 314 1 1 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.449 -0.715 17606 315 1 1 . 1 1 59 59 ASP H H 59 8.256 8.256 8.681 -0.425 17606 316 1 1 . 1 1 60 60 ARG N N 60 118.041 118.041 117.353 0.688 17606 317 1 1 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.377 -0.086 17606 318 1 1 . 1 1 60 60 ARG C C 60 174.918 174.918 175.411 -0.493 17606 319 1 1 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.972 0.172 17606 320 1 1 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.837 0.172 17606 321 1 1 . 1 1 60 60 ARG H H 60 7.931 7.931 7.751 0.180 17606 322 1 1 . 1 1 61 61 ILE N N 61 118.787 118.787 119.687 -0.900 17606 323 1 1 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.615 -0.498 17606 324 1 1 . 1 1 61 61 ILE C C 61 175.243 175.243 175.587 -0.344 17606 325 1 1 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.876 0.537 17606 326 1 1 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.179 -1.751 17606 327 1 1 . 1 1 61 61 ILE H H 61 7.463 7.463 7.374 0.089 17606 328 1 1 . 1 1 62 62 ILE N N 62 127.975 127.975 125.716 2.259 17606 329 1 1 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.382 -0.226 17606 330 1 1 . 1 1 62 62 ILE C C 62 175.867 175.867 174.898 0.969 17606 331 1 1 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.948 0.488 17606 332 1 1 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.496 -0.177 17606 333 1 1 . 1 1 62 62 ILE H H 62 8.773 8.773 8.930 -0.157 17606 334 1 1 . 1 1 63 63 TRP N N 63 131.233 131.233 129.078 2.155 17606 335 1 1 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.846 -0.284 17606 336 1 1 . 1 1 63 63 TRP C C 63 174.859 174.859 174.286 0.573 17606 337 1 1 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.607 -0.065 17606 338 1 1 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.420 -0.761 17606 339 1 1 . 1 1 63 63 TRP H H 63 8.506 8.506 8.521 -0.015 17606 340 1 1 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.534 0.015 17606 341 1 1 . 1 1 64 64 PRO C C 64 176.966 176.966 175.560 1.406 17606 342 1 1 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.731 -0.600 17606 343 1 1 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.633 0.392 17606 344 1 1 . 1 1 65 65 LEU N N 65 121.886 121.886 125.593 -3.707 17606 345 1 1 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.561 -0.228 17606 346 1 1 . 1 1 65 65 LEU C C 65 177.243 177.243 174.846 2.397 17606 347 1 1 . 1 1 65 65 LEU CA C 65 55.492 55.492 54.076 1.416 17606 348 1 1 . 1 1 65 65 LEU CB C 65 42.370 42.370 46.509 -4.139 17606 349 1 1 . 1 1 65 65 LEU H H 65 8.426 8.426 8.038 0.388 17606 350 1 1 . 1 1 66 66 ASP N N 66 120.509 120.509 123.714 -3.205 17606 351 1 1 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.664 -0.086 17606 352 1 1 . 1 1 66 66 ASP C C 66 176.402 176.402 175.695 0.707 17606 353 1 1 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.103 -0.854 17606 354 1 1 . 1 1 66 66 ASP CB C 66 41.156 41.156 41.060 0.095 17606 355 1 1 . 1 1 66 66 ASP H H 66 8.348 8.348 8.444 -0.096 17606 356 1 1 . 1 1 67 67 LYS N N 67 121.925 121.925 125.759 -3.834 17606 357 1 1 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.550 -0.272 17606 358 1 1 . 1 1 67 67 LYS C C 67 177.158 177.158 176.095 1.063 17606 359 1 1 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.583 1.016 17606 360 1 1 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.359 0.394 17606 361 1 1 . 1 1 67 67 LYS H H 67 8.327 8.327 8.469 -0.142 17606 362 1 1 . 1 1 68 68 GLY N N 68 109.417 109.417 108.495 0.922 17606 363 1 1 . 1 1 68 68 GLY C C 68 174.413 174.413 173.019 1.394 17606 364 1 1 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.872 0.751 17606 365 1 1 . 1 1 68 68 GLY H H 68 8.558 8.558 8.342 0.216 17606 366 1 1 . 1 1 69 69 LEU N N 69 120.937 120.937 120.678 0.259 17606 367 1 1 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.518 -0.263 17606 368 1 1 . 1 1 69 69 LEU C C 69 177.559 177.559 176.068 1.491 17606 369 1 1 . 1 1 69 69 LEU CA C 69 55.326 55.326 53.661 1.665 17606 370 1 1 . 1 1 69 69 LEU CB C 69 42.169 42.169 43.812 -1.643 17606 371 1 1 . 1 1 69 69 LEU H H 69 7.972 7.972 8.702 -0.730 17606 372 1 1 . 1 1 70 70 GLU N N 70 120.764 120.764 124.757 -3.993 17606 373 1 1 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.266 -0.140 17606 374 1 1 . 1 1 70 70 GLU C C 70 176.435 176.435 175.817 0.618 17606 375 1 1 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.729 0.421 17606 376 1 1 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.270 -0.411 17606 377 1 1 . 1 1 70 70 GLU H H 70 8.443 8.443 8.547 -0.104 17606 378 1 1 . 1 1 71 71 HIS N N 71 119.554 119.554 122.919 -3.365 17606 379 1 1 . 1 1 71 71 HIS HA H 71 4.598 4.598 5.266 -0.668 17606 380 1 1 . 1 1 71 71 HIS C C 71 174.001 174.001 175.016 -1.015 17606 381 1 1 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.663 0.415 17606 382 1 1 . 1 1 71 71 HIS CB C 71 30.551 30.551 30.000 0.551 17606 383 1 1 . 1 1 71 71 HIS H H 71 8.223 8.223 8.655 -0.432 17606 384 1 1 . 1 1 72 72 HIS N N 72 125.509 125.509 120.130 5.379 17606 385 1 1 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.807 -0.393 17606 386 1 1 . 1 1 72 72 HIS C C 72 179.225 179.225 175.654 3.571 17606 387 1 1 . 1 1 72 72 HIS CA C 72 57.363 57.363 58.892 -1.529 17606 388 1 1 . 1 1 72 72 HIS CB C 72 30.450 30.450 31.421 -0.971 17606 389 1 1 . 1 1 72 72 HIS H H 72 8.101 8.101 8.750 -0.649 17606 390 1 1 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.723 -0.179 17606 391 1 1 . 1 1 73 73 HIS CA C 73 56.078 56.078 56.266 -0.188 17606 392 1 1 . 1 1 73 73 HIS CB C 73 30.551 30.551 30.823 -0.272 17606 393 1 1 . 1 1 74 74 HIS N N 74 120.202 120.202 118.775 1.427 17606 394 1 1 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.574 -0.372 17606 395 1 1 . 1 1 74 74 HIS CA C 74 56.035 56.035 57.600 -1.565 17606 396 1 1 . 1 1 74 74 HIS CB C 74 30.232 30.232 31.447 -1.215 17606 397 1 1 . 1 1 74 74 HIS H H 74 8.189 8.189 8.539 -0.350 17606 398 1 1 . 1 1 75 75 HIS N N 75 120.367 120.367 117.945 2.422 17606 399 1 1 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.773 -0.350 17606 400 1 1 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.441 -0.927 17606 401 1 1 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.784 2.484 17606 402 1 1 . 1 1 75 75 HIS H H 75 8.258 8.258 8.186 0.072 17606 403 1 2 . 1 1 2 2 ASP N N 2 121.539 121.539 123.537 -1.998 17606 404 1 2 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.637 -0.082 17606 405 1 2 . 1 1 2 2 ASP C C 2 176.030 176.030 176.329 -0.299 17606 406 1 2 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.030 0.523 17606 407 1 2 . 1 1 2 2 ASP CB C 2 41.304 41.304 40.986 0.318 17606 408 1 2 . 1 1 2 2 ASP H H 2 8.515 8.515 8.453 0.062 17606 409 1 2 . 1 1 3 3 MET N N 3 120.469 120.469 122.861 -2.392 17606 410 1 2 . 1 1 3 3 MET HA H 3 4.472 4.472 4.570 -0.098 17606 411 1 2 . 1 1 3 3 MET C C 3 176.040 176.040 175.838 0.202 17606 412 1 2 . 1 1 3 3 MET CA C 3 55.373 55.373 54.995 0.379 17606 413 1 2 . 1 1 3 3 MET CB C 3 33.196 33.196 32.299 0.897 17606 414 1 2 . 1 1 3 3 MET H H 3 8.340 8.340 7.808 0.532 17606 415 1 2 . 1 1 4 4 GLU N N 4 123.512 123.512 127.680 -4.168 17606 416 1 2 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.554 -0.016 17606 417 1 2 . 1 1 4 4 GLU C C 4 174.592 174.592 174.674 -0.082 17606 418 1 2 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.355 0.199 17606 419 1 2 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.723 -0.077 17606 420 1 2 . 1 1 4 4 GLU H H 4 8.424 8.424 8.420 0.004 17606 421 1 2 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.351 0.051 17606 422 1 2 . 1 1 5 5 PRO C C 5 176.669 176.669 175.981 0.688 17606 423 1 2 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.083 0.408 17606 424 1 2 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.785 0.217 17606 425 1 2 . 1 1 6 6 CYS N N 6 119.970 119.970 126.088 -6.118 17606 426 1 2 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.553 -0.031 17606 427 1 2 . 1 1 6 6 CYS C C 6 175.020 175.020 174.790 0.230 17606 428 1 2 . 1 1 6 6 CYS CA C 6 58.662 58.662 57.616 1.046 17606 429 1 2 . 1 1 6 6 CYS CB C 6 27.638 27.638 27.254 0.384 17606 430 1 2 . 1 1 6 6 CYS H H 6 8.539 8.539 8.516 0.023 17606 431 1 2 . 1 1 7 7 LEU N N 7 125.146 125.146 125.888 -0.742 17606 432 1 2 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.057 0.376 17606 433 1 2 . 1 1 7 7 LEU C C 7 178.244 178.244 176.535 1.709 17606 434 1 2 . 1 1 7 7 LEU CA C 7 55.361 55.361 57.443 -2.082 17606 435 1 2 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.352 2.335 17606 436 1 2 . 1 1 7 7 LEU H H 7 8.649 8.649 9.043 -0.394 17606 437 1 2 . 1 1 8 8 THR N N 8 116.760 116.760 116.024 0.736 17606 438 1 2 . 1 1 8 8 THR HA H 8 3.966 3.966 3.890 0.076 17606 439 1 2 . 1 1 8 8 THR C C 8 175.108 175.108 175.959 -0.851 17606 440 1 2 . 1 1 8 8 THR CA C 8 64.244 64.244 64.811 -0.567 17606 441 1 2 . 1 1 8 8 THR CB C 8 69.071 69.071 69.005 0.066 17606 442 1 2 . 1 1 8 8 THR H H 8 8.124 8.124 7.908 0.216 17606 443 1 2 . 1 1 9 9 GLY N N 9 113.810 113.810 115.454 -1.644 17606 444 1 2 . 1 1 9 9 GLY C C 9 174.510 174.510 174.730 -0.220 17606 445 1 2 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.952 0.061 17606 446 1 2 . 1 1 9 9 GLY H H 9 9.095 9.095 8.940 0.155 17606 447 1 2 . 1 1 10 10 THR N N 10 116.938 116.938 120.542 -3.604 17606 448 1 2 . 1 1 10 10 THR HA H 10 4.179 4.179 4.313 -0.134 17606 449 1 2 . 1 1 10 10 THR C C 10 173.450 173.450 173.592 -0.142 17606 450 1 2 . 1 1 10 10 THR CA C 10 64.192 64.192 63.489 0.703 17606 451 1 2 . 1 1 10 10 THR CB C 10 70.093 70.093 69.494 0.599 17606 452 1 2 . 1 1 10 10 THR H H 10 8.002 8.002 7.712 0.290 17606 453 1 2 . 1 1 11 11 LYS N N 11 127.263 127.263 127.922 -0.659 17606 454 1 2 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.749 0.077 17606 455 1 2 . 1 1 11 11 LYS C C 11 176.157 176.157 175.938 0.219 17606 456 1 2 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.596 1.145 17606 457 1 2 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.509 -0.954 17606 458 1 2 . 1 1 11 11 LYS H H 11 8.514 8.514 8.451 0.063 17606 459 1 2 . 1 1 12 12 VAL N N 12 116.892 116.892 115.810 1.082 17606 460 1 2 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.381 0.209 17606 461 1 2 . 1 1 12 12 VAL C C 12 174.476 174.476 174.235 0.241 17606 462 1 2 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.925 0.287 17606 463 1 2 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.755 0.789 17606 464 1 2 . 1 1 12 12 VAL H H 12 8.738 8.738 8.700 0.038 17606 465 1 2 . 1 1 13 13 LYS N N 13 118.427 118.427 121.018 -2.591 17606 466 1 2 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.940 0.183 17606 467 1 2 . 1 1 13 13 LYS C C 13 174.853 174.853 175.101 -0.248 17606 468 1 2 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.211 0.773 17606 469 1 2 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.818 0.969 17606 470 1 2 . 1 1 13 13 LYS H H 13 7.677 7.677 8.016 -0.339 17606 471 1 2 . 1 1 14 14 VAL N N 14 120.913 120.913 123.620 -2.707 17606 472 1 2 . 1 1 14 14 VAL HA H 14 4.826 4.826 5.128 -0.302 17606 473 1 2 . 1 1 14 14 VAL C C 14 175.645 175.645 174.383 1.262 17606 474 1 2 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.176 0.215 17606 475 1 2 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.698 0.329 17606 476 1 2 . 1 1 14 14 VAL H H 14 9.178 9.178 9.138 0.040 17606 477 1 2 . 1 1 15 15 LYS N N 15 125.862 125.862 127.228 -1.366 17606 478 1 2 . 1 1 15 15 LYS HA H 15 4.582 4.582 5.126 -0.544 17606 479 1 2 . 1 1 15 15 LYS C C 15 175.430 175.430 174.078 1.352 17606 480 1 2 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.533 1.158 17606 481 1 2 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.931 -1.167 17606 482 1 2 . 1 1 15 15 LYS H H 15 9.010 9.010 9.086 -0.076 17606 483 1 2 . 1 1 16 16 TYR N N 16 127.499 127.499 126.320 1.179 17606 484 1 2 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.802 -0.164 17606 485 1 2 . 1 1 16 16 TYR C C 16 175.096 175.096 173.390 1.706 17606 486 1 2 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.246 1.102 17606 487 1 2 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.792 0.701 17606 488 1 2 . 1 1 16 16 TYR H H 16 9.305 9.305 9.090 0.215 17606 489 1 2 . 1 1 17 17 GLY N N 17 115.501 115.501 113.418 2.083 17606 490 1 2 . 1 1 17 17 GLY C C 17 173.380 173.380 172.020 1.360 17606 491 1 2 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.397 -1.181 17606 492 1 2 . 1 1 17 17 GLY H H 17 8.383 8.383 7.846 0.537 17606 493 1 2 . 1 1 18 18 ARG N N 18 117.847 117.847 118.930 -1.083 17606 494 1 2 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.680 -0.075 17606 495 1 2 . 1 1 18 18 ARG C C 18 175.941 175.941 176.898 -0.957 17606 496 1 2 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.444 0.896 17606 497 1 2 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.221 1.964 17606 498 1 2 . 1 1 18 18 ARG H H 18 8.305 8.305 8.572 -0.267 17606 499 1 2 . 1 1 19 19 GLY N N 19 110.572 110.572 115.828 -5.256 17606 500 1 2 . 1 1 19 19 GLY C C 19 176.227 176.227 175.656 0.571 17606 501 1 2 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.967 -1.077 17606 502 1 2 . 1 1 19 19 GLY H H 19 8.857 8.857 9.015 -0.158 17606 503 1 2 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.200 -0.016 17606 504 1 2 . 1 1 20 20 LYS C C 20 177.694 177.694 177.341 0.353 17606 505 1 2 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.738 0.641 17606 506 1 2 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.762 -0.269 17606 507 1 2 . 1 1 20 20 LYS H H 20 6.723 6.723 8.355 -1.632 17606 508 1 2 . 1 1 21 21 THR N N 21 108.329 108.329 108.460 -0.131 17606 509 1 2 . 1 1 21 21 THR HA H 21 4.437 4.437 4.284 0.153 17606 510 1 2 . 1 1 21 21 THR C C 21 173.999 173.999 174.657 -0.658 17606 511 1 2 . 1 1 21 21 THR CA C 21 60.895 60.895 61.576 -0.681 17606 512 1 2 . 1 1 21 21 THR CB C 21 68.907 68.907 69.271 -0.364 17606 513 1 2 . 1 1 21 21 THR H H 21 7.839 7.839 7.736 0.103 17606 514 1 2 . 1 1 22 22 GLN N N 22 123.126 123.126 122.168 0.958 17606 515 1 2 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.396 0.034 17606 516 1 2 . 1 1 22 22 GLN C C 22 175.190 175.190 175.032 0.158 17606 517 1 2 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.754 1.041 17606 518 1 2 . 1 1 22 22 GLN CB C 22 31.031 31.031 28.766 2.265 17606 519 1 2 . 1 1 22 22 GLN H H 22 7.503 7.503 7.415 0.088 17606 520 1 2 . 1 1 23 23 LYS N N 23 126.763 126.763 125.787 0.976 17606 521 1 2 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.471 0.066 17606 522 1 2 . 1 1 23 23 LYS C C 23 174.087 174.087 174.493 -0.406 17606 523 1 2 . 1 1 23 23 LYS CA C 23 54.444 54.444 53.682 0.762 17606 524 1 2 . 1 1 23 23 LYS CB C 23 36.495 36.495 34.817 1.678 17606 525 1 2 . 1 1 23 23 LYS H H 23 8.937 8.937 8.075 0.862 17606 526 1 2 . 1 1 24 24 ILE N N 24 120.287 120.287 119.674 0.613 17606 527 1 2 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.860 -0.110 17606 528 1 2 . 1 1 24 24 ILE C C 24 175.772 175.772 175.746 0.026 17606 529 1 2 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.649 0.271 17606 530 1 2 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.863 -0.609 17606 531 1 2 . 1 1 24 24 ILE H H 24 7.980 7.980 8.178 -0.198 17606 532 1 2 . 1 1 25 25 TYR N N 25 126.020 126.020 122.993 3.027 17606 533 1 2 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.662 0.409 17606 534 1 2 . 1 1 25 25 TYR C C 25 175.859 175.859 174.170 1.689 17606 535 1 2 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.785 0.075 17606 536 1 2 . 1 1 25 25 TYR CB C 25 42.467 42.467 42.300 0.167 17606 537 1 2 . 1 1 25 25 TYR H H 25 8.885 8.885 9.139 -0.254 17606 538 1 2 . 1 1 26 26 GLU N N 26 121.186 121.186 120.344 0.842 17606 539 1 2 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.090 -0.448 17606 540 1 2 . 1 1 26 26 GLU C C 26 176.001 176.001 175.094 0.907 17606 541 1 2 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.586 1.542 17606 542 1 2 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.978 -1.255 17606 543 1 2 . 1 1 26 26 GLU H H 26 8.915 8.915 8.815 0.100 17606 544 1 2 . 1 1 27 27 ALA N N 27 125.281 125.281 128.086 -2.805 17606 545 1 2 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.216 -0.246 17606 546 1 2 . 1 1 27 27 ALA C C 27 175.178 175.178 175.634 -0.456 17606 547 1 2 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.119 1.196 17606 548 1 2 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.931 1.724 17606 549 1 2 . 1 1 27 27 ALA H H 27 8.834 8.834 9.214 -0.380 17606 550 1 2 . 1 1 28 28 SER N N 28 112.133 112.133 113.390 -1.257 17606 551 1 2 . 1 1 28 28 SER HA H 28 5.328 5.328 5.220 0.108 17606 552 1 2 . 1 1 28 28 SER C C 28 174.404 174.404 173.713 0.691 17606 553 1 2 . 1 1 28 28 SER CA C 28 56.133 56.133 56.416 -0.283 17606 554 1 2 . 1 1 28 28 SER CB C 28 66.075 66.075 65.740 0.335 17606 555 1 2 . 1 1 28 28 SER H H 28 8.529 8.529 8.642 -0.113 17606 556 1 2 . 1 1 29 29 ILE N N 29 122.044 122.044 125.463 -3.419 17606 557 1 2 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.869 0.273 17606 558 1 2 . 1 1 29 29 ILE C C 29 176.473 176.473 176.034 0.439 17606 559 1 2 . 1 1 29 29 ILE CA C 29 61.561 61.561 61.228 0.333 17606 560 1 2 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.528 1.496 17606 561 1 2 . 1 1 29 29 ILE H H 29 8.431 8.431 9.057 -0.626 17606 562 1 2 . 1 1 30 30 LYS N N 30 128.795 128.795 128.993 -0.198 17606 563 1 2 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.528 -0.118 17606 564 1 2 . 1 1 30 30 LYS C C 30 176.559 176.559 176.048 0.511 17606 565 1 2 . 1 1 30 30 LYS CA C 30 57.009 57.009 55.391 1.618 17606 566 1 2 . 1 1 30 30 LYS CB C 30 33.881 33.881 35.391 -1.510 17606 567 1 2 . 1 1 30 30 LYS H H 30 9.687 9.687 9.025 0.662 17606 568 1 2 . 1 1 31 31 SER N N 31 111.044 111.044 113.052 -2.008 17606 569 1 2 . 1 1 31 31 SER HA H 31 4.671 4.671 4.565 0.106 17606 570 1 2 . 1 1 31 31 SER C C 31 172.457 172.457 171.796 0.661 17606 571 1 2 . 1 1 31 31 SER CA C 31 57.353 57.353 57.691 -0.338 17606 572 1 2 . 1 1 31 31 SER CB C 31 64.824 64.824 63.759 1.065 17606 573 1 2 . 1 1 31 31 SER H H 31 7.537 7.537 8.239 -0.702 17606 574 1 2 . 1 1 32 32 THR N N 32 113.911 113.911 116.578 -2.667 17606 575 1 2 . 1 1 32 32 THR HA H 32 5.564 5.564 4.859 0.705 17606 576 1 2 . 1 1 32 32 THR C C 32 173.003 173.003 173.078 -0.075 17606 577 1 2 . 1 1 32 32 THR CA C 32 60.589 60.589 61.433 -0.844 17606 578 1 2 . 1 1 32 32 THR CB C 32 72.217 72.217 71.425 0.792 17606 579 1 2 . 1 1 32 32 THR H H 32 8.237 8.237 8.348 -0.111 17606 580 1 2 . 1 1 33 33 GLU N N 33 123.514 123.514 123.607 -0.093 17606 581 1 2 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.698 -0.070 17606 582 1 2 . 1 1 33 33 GLU C C 33 173.487 173.487 174.731 -1.244 17606 583 1 2 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.157 0.299 17606 584 1 2 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.470 -0.371 17606 585 1 2 . 1 1 33 33 GLU H H 33 8.970 8.970 9.023 -0.053 17606 586 1 2 . 1 1 34 34 ILE N N 34 122.095 122.095 121.346 0.749 17606 587 1 2 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.656 0.079 17606 588 1 2 . 1 1 34 34 ILE C C 34 175.620 175.620 175.216 0.404 17606 589 1 2 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.185 -0.138 17606 590 1 2 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.316 -0.659 17606 591 1 2 . 1 1 34 34 ILE H H 34 8.505 8.505 8.610 -0.105 17606 592 1 2 . 1 1 35 35 ASP N N 35 127.840 127.840 128.419 -0.579 17606 593 1 2 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.730 0.043 17606 594 1 2 . 1 1 35 35 ASP C C 35 175.804 175.804 175.380 0.424 17606 595 1 2 . 1 1 35 35 ASP CA C 35 53.235 53.235 52.616 0.619 17606 596 1 2 . 1 1 35 35 ASP CB C 35 43.419 43.419 42.238 1.181 17606 597 1 2 . 1 1 35 35 ASP H H 35 8.948 8.948 9.100 -0.152 17606 598 1 2 . 1 1 36 36 ASP N N 36 127.315 127.315 126.754 0.561 17606 599 1 2 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.289 -0.026 17606 600 1 2 . 1 1 36 36 ASP C C 36 175.993 175.993 176.725 -0.732 17606 601 1 2 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.406 0.714 17606 602 1 2 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.630 -0.971 17606 603 1 2 . 1 1 36 36 ASP H H 36 9.065 9.065 8.997 0.068 17606 604 1 2 . 1 1 37 37 GLY N N 37 103.112 103.112 108.071 -4.959 17606 605 1 2 . 1 1 37 37 GLY C C 37 173.541 173.541 173.417 0.124 17606 606 1 2 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.339 0.132 17606 607 1 2 . 1 1 37 37 GLY H H 37 8.045 8.045 8.522 -0.477 17606 608 1 2 . 1 1 38 38 GLU N N 38 121.172 121.172 119.692 1.480 17606 609 1 2 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.587 0.064 17606 610 1 2 . 1 1 38 38 GLU C C 38 174.246 174.246 174.982 -0.736 17606 611 1 2 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.834 -0.115 17606 612 1 2 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.782 0.423 17606 613 1 2 . 1 1 38 38 GLU H H 38 7.769 7.769 7.372 0.397 17606 614 1 2 . 1 1 39 39 VAL N N 39 123.983 123.983 123.861 0.122 17606 615 1 2 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.603 -0.393 17606 616 1 2 . 1 1 39 39 VAL C C 39 174.546 174.546 174.188 0.358 17606 617 1 2 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.295 1.746 17606 618 1 2 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.598 -0.329 17606 619 1 2 . 1 1 39 39 VAL H H 39 8.455 8.455 8.731 -0.276 17606 620 1 2 . 1 1 40 40 LEU N N 40 127.105 127.105 129.307 -2.202 17606 621 1 2 . 1 1 40 40 LEU HA H 40 5.092 5.092 4.940 0.152 17606 622 1 2 . 1 1 40 40 LEU C C 40 175.819 175.819 175.279 0.540 17606 623 1 2 . 1 1 40 40 LEU CA C 40 53.253 53.253 54.103 -0.850 17606 624 1 2 . 1 1 40 40 LEU CB C 40 46.490 46.490 45.325 1.165 17606 625 1 2 . 1 1 40 40 LEU H H 40 8.947 8.947 9.190 -0.243 17606 626 1 2 . 1 1 41 41 TYR N N 41 119.021 119.021 118.512 0.509 17606 627 1 2 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.784 0.323 17606 628 1 2 . 1 1 41 41 TYR C C 41 173.968 173.968 174.183 -0.215 17606 629 1 2 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.013 -0.157 17606 630 1 2 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.553 -0.411 17606 631 1 2 . 1 1 41 41 TYR H H 41 9.337 9.337 9.533 -0.196 17606 632 1 2 . 1 1 42 42 LEU N N 42 128.770 128.770 125.047 3.723 17606 633 1 2 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.225 -0.252 17606 634 1 2 . 1 1 42 42 LEU C C 42 175.491 175.491 174.648 0.843 17606 635 1 2 . 1 1 42 42 LEU CA C 42 53.367 53.367 53.123 0.244 17606 636 1 2 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.736 -3.041 17606 637 1 2 . 1 1 42 42 LEU H H 42 8.304 8.304 8.712 -0.408 17606 638 1 2 . 1 1 43 43 VAL N N 43 121.269 121.269 122.687 -1.418 17606 639 1 2 . 1 1 43 43 VAL HA H 43 4.980 4.980 5.081 -0.101 17606 640 1 2 . 1 1 43 43 VAL C C 43 173.257 173.257 173.753 -0.496 17606 641 1 2 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.787 -0.476 17606 642 1 2 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.026 -0.972 17606 643 1 2 . 1 1 43 43 VAL H H 43 8.847 8.847 8.831 0.016 17606 644 1 2 . 1 1 44 44 HIS N N 44 118.126 118.126 119.437 -1.311 17606 645 1 2 . 1 1 44 44 HIS C C 44 174.272 174.272 174.440 -0.168 17606 646 1 2 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.610 0.709 17606 647 1 2 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.197 -1.181 17606 648 1 2 . 1 1 44 44 HIS H H 44 8.286 8.286 8.716 -0.430 17606 649 1 2 . 1 1 45 45 TYR N N 45 127.711 127.711 121.493 6.218 17606 650 1 2 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.754 -0.655 17606 651 1 2 . 1 1 45 45 TYR C C 45 175.343 175.343 176.172 -0.829 17606 652 1 2 . 1 1 45 45 TYR CA C 45 58.240 58.240 57.386 0.854 17606 653 1 2 . 1 1 45 45 TYR CB C 45 37.500 37.500 38.934 -1.434 17606 654 1 2 . 1 1 45 45 TYR H H 45 8.013 8.013 8.349 -0.336 17606 655 1 2 . 1 1 46 46 TYR N N 46 121.373 121.373 118.794 2.579 17606 656 1 2 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.811 -0.597 17606 657 1 2 . 1 1 46 46 TYR CA C 46 58.945 58.945 56.993 1.952 17606 658 1 2 . 1 1 46 46 TYR CB C 46 38.400 38.400 40.828 -2.428 17606 659 1 2 . 1 1 46 46 TYR H H 46 7.842 7.842 7.945 -0.103 17606 660 1 2 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.066 0.082 17606 661 1 2 . 1 1 48 48 TRP N N 48 121.413 121.413 124.760 -3.347 17606 662 1 2 . 1 1 48 48 TRP CA C 48 55.966 55.966 57.429 -1.463 17606 663 1 2 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.268 0.131 17606 664 1 2 . 1 1 48 48 TRP H H 48 8.105 8.105 8.536 -0.431 17606 665 1 2 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.572 -0.398 17606 666 1 2 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.138 -1.256 17606 667 1 2 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.832 -0.608 17606 668 1 2 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.123 -0.005 17606 669 1 2 . 1 1 51 51 ARG C C 51 176.010 176.010 175.690 0.320 17606 670 1 2 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.441 0.563 17606 671 1 2 . 1 1 51 51 ARG CB C 51 29.934 29.934 29.987 -0.053 17606 672 1 2 . 1 1 52 52 TYR N N 52 119.263 119.263 121.794 -2.531 17606 673 1 2 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.425 0.211 17606 674 1 2 . 1 1 52 52 TYR CA C 52 58.000 58.000 57.422 0.578 17606 675 1 2 . 1 1 52 52 TYR CB C 52 38.804 38.804 37.890 0.914 17606 676 1 2 . 1 1 52 52 TYR H H 52 7.860 7.860 7.692 0.168 17606 677 1 2 . 1 1 53 53 ASP N N 53 122.103 122.103 127.547 -5.444 17606 678 1 2 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.912 0.065 17606 679 1 2 . 1 1 53 53 ASP CA C 53 55.272 55.272 53.455 1.817 17606 680 1 2 . 1 1 53 53 ASP CB C 53 40.304 40.304 42.528 -2.224 17606 681 1 2 . 1 1 53 53 ASP H H 53 8.014 8.014 7.734 0.280 17606 682 1 2 . 1 1 54 54 GLU N N 54 119.733 119.733 125.312 -5.579 17606 683 1 2 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.506 0.267 17606 684 1 2 . 1 1 54 54 GLU C C 54 174.099 174.099 174.329 -0.230 17606 685 1 2 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.211 0.667 17606 686 1 2 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.675 0.456 17606 687 1 2 . 1 1 54 54 GLU H H 54 8.018 8.018 8.787 -0.769 17606 688 1 2 . 1 1 55 55 TRP N N 55 124.675 124.675 121.440 3.235 17606 689 1 2 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.617 -0.373 17606 690 1 2 . 1 1 55 55 TRP C C 55 177.088 177.088 175.731 1.357 17606 691 1 2 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.377 0.012 17606 692 1 2 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.684 -1.271 17606 693 1 2 . 1 1 55 55 TRP H H 55 8.760 8.760 8.464 0.296 17606 694 1 2 . 1 1 56 56 VAL N N 56 119.873 119.873 117.866 2.007 17606 695 1 2 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.735 0.189 17606 696 1 2 . 1 1 56 56 VAL C C 56 174.866 174.866 173.964 0.902 17606 697 1 2 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.897 0.071 17606 698 1 2 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.404 0.457 17606 699 1 2 . 1 1 56 56 VAL H H 56 10.006 10.006 8.953 1.053 17606 700 1 2 . 1 1 57 57 LYS N N 57 120.466 120.466 124.464 -3.998 17606 701 1 2 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.614 0.251 17606 702 1 2 . 1 1 57 57 LYS C C 57 178.120 178.120 177.735 0.385 17606 703 1 2 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.716 0.725 17606 704 1 2 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.224 -0.040 17606 705 1 2 . 1 1 57 57 LYS H H 57 8.361 8.361 8.454 -0.093 17606 706 1 2 . 1 1 58 58 ALA N N 58 120.318 120.318 124.771 -4.453 17606 707 1 2 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.122 0.032 17606 708 1 2 . 1 1 58 58 ALA C C 58 179.508 179.508 179.264 0.244 17606 709 1 2 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.645 0.044 17606 710 1 2 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.850 0.624 17606 711 1 2 . 1 1 58 58 ALA H H 58 9.064 9.064 8.678 0.386 17606 712 1 2 . 1 1 59 59 ASP N N 59 113.824 113.824 116.437 -2.613 17606 713 1 2 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.495 0.042 17606 714 1 2 . 1 1 59 59 ASP C C 59 177.499 177.499 177.211 0.288 17606 715 1 2 . 1 1 59 59 ASP CA C 59 55.653 55.653 55.994 -0.341 17606 716 1 2 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.797 -1.062 17606 717 1 2 . 1 1 59 59 ASP H H 59 8.256 8.256 8.604 -0.348 17606 718 1 2 . 1 1 60 60 ARG N N 60 118.041 118.041 116.899 1.142 17606 719 1 2 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.400 -0.109 17606 720 1 2 . 1 1 60 60 ARG C C 60 174.918 174.918 174.719 0.199 17606 721 1 2 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.237 1.907 17606 722 1 2 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.058 0.952 17606 723 1 2 . 1 1 60 60 ARG H H 60 7.931 7.931 8.073 -0.142 17606 724 1 2 . 1 1 61 61 ILE N N 61 118.787 118.787 120.411 -1.624 17606 725 1 2 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.851 -0.734 17606 726 1 2 . 1 1 61 61 ILE C C 61 175.243 175.243 175.384 -0.141 17606 727 1 2 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.899 0.514 17606 728 1 2 . 1 1 61 61 ILE CB C 61 38.428 38.428 41.150 -2.721 17606 729 1 2 . 1 1 61 61 ILE H H 61 7.463 7.463 7.251 0.212 17606 730 1 2 . 1 1 62 62 ILE N N 62 127.975 127.975 125.852 2.123 17606 731 1 2 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.480 -0.324 17606 732 1 2 . 1 1 62 62 ILE C C 62 175.867 175.867 175.032 0.835 17606 733 1 2 . 1 1 62 62 ILE CA C 62 60.436 60.436 60.049 0.387 17606 734 1 2 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.922 -0.603 17606 735 1 2 . 1 1 62 62 ILE H H 62 8.773 8.773 8.948 -0.175 17606 736 1 2 . 1 1 63 63 TRP N N 63 131.233 131.233 129.291 1.942 17606 737 1 2 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.903 -0.341 17606 738 1 2 . 1 1 63 63 TRP C C 63 174.859 174.859 174.620 0.239 17606 739 1 2 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.835 -0.293 17606 740 1 2 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.848 -1.188 17606 741 1 2 . 1 1 63 63 TRP H H 63 8.506 8.506 8.625 -0.119 17606 742 1 2 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.450 0.099 17606 743 1 2 . 1 1 64 64 PRO C C 64 176.966 176.966 176.001 0.965 17606 744 1 2 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.316 -0.185 17606 745 1 2 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.910 0.115 17606 746 1 2 . 1 1 65 65 LEU N N 65 121.886 121.886 126.664 -4.778 17606 747 1 2 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.430 -0.097 17606 748 1 2 . 1 1 65 65 LEU C C 65 177.243 177.243 175.906 1.337 17606 749 1 2 . 1 1 65 65 LEU CA C 65 55.492 55.492 54.703 0.789 17606 750 1 2 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.029 -0.659 17606 751 1 2 . 1 1 65 65 LEU H H 65 8.426 8.426 8.171 0.255 17606 752 1 2 . 1 1 66 66 ASP N N 66 120.509 120.509 123.802 -3.293 17606 753 1 2 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.333 0.245 17606 754 1 2 . 1 1 66 66 ASP C C 66 176.402 176.402 174.860 1.542 17606 755 1 2 . 1 1 66 66 ASP CA C 66 54.249 54.249 56.007 -1.758 17606 756 1 2 . 1 1 66 66 ASP CB C 66 41.156 41.156 41.069 0.087 17606 757 1 2 . 1 1 66 66 ASP H H 66 8.348 8.348 8.410 -0.062 17606 758 1 2 . 1 1 67 67 LYS N N 67 121.925 121.925 120.367 1.558 17606 759 1 2 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.540 -0.262 17606 760 1 2 . 1 1 67 67 LYS C C 67 177.158 177.158 175.915 1.243 17606 761 1 2 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.059 0.540 17606 762 1 2 . 1 1 67 67 LYS CB C 67 32.753 32.753 31.846 0.907 17606 763 1 2 . 1 1 67 67 LYS H H 67 8.327 8.327 8.291 0.036 17606 764 1 2 . 1 1 68 68 GLY N N 68 109.417 109.417 108.046 1.371 17606 765 1 2 . 1 1 68 68 GLY C C 68 174.413 174.413 173.968 0.445 17606 766 1 2 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.049 0.574 17606 767 1 2 . 1 1 68 68 GLY H H 68 8.558 8.558 7.996 0.562 17606 768 1 2 . 1 1 69 69 LEU N N 69 120.937 120.937 122.783 -1.846 17606 769 1 2 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.513 -0.258 17606 770 1 2 . 1 1 69 69 LEU C C 69 177.559 177.559 175.722 1.837 17606 771 1 2 . 1 1 69 69 LEU CA C 69 55.326 55.326 55.110 0.216 17606 772 1 2 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.793 0.376 17606 773 1 2 . 1 1 69 69 LEU H H 69 7.972 7.972 7.863 0.109 17606 774 1 2 . 1 1 70 70 GLU N N 70 120.764 120.764 123.943 -3.179 17606 775 1 2 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.549 -0.423 17606 776 1 2 . 1 1 70 70 GLU C C 70 176.435 176.435 175.076 1.359 17606 777 1 2 . 1 1 70 70 GLU CA C 70 57.150 57.150 55.743 1.407 17606 778 1 2 . 1 1 70 70 GLU CB C 70 29.859 29.859 32.587 -2.728 17606 779 1 2 . 1 1 70 70 GLU H H 70 8.443 8.443 8.574 -0.131 17606 780 1 2 . 1 1 71 71 HIS N N 71 119.554 119.554 123.600 -4.046 17606 781 1 2 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.864 -0.266 17606 782 1 2 . 1 1 71 71 HIS C C 71 174.001 174.001 175.981 -1.980 17606 783 1 2 . 1 1 71 71 HIS CA C 71 56.078 56.078 56.112 -0.034 17606 784 1 2 . 1 1 71 71 HIS CB C 71 30.551 30.551 30.767 -0.216 17606 785 1 2 . 1 1 71 71 HIS H H 71 8.223 8.223 8.674 -0.451 17606 786 1 2 . 1 1 72 72 HIS N N 72 125.509 125.509 122.862 2.647 17606 787 1 2 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.446 -0.032 17606 788 1 2 . 1 1 72 72 HIS C C 72 179.225 179.225 175.105 4.120 17606 789 1 2 . 1 1 72 72 HIS CA C 72 57.363 57.363 56.378 0.985 17606 790 1 2 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.653 -0.203 17606 791 1 2 . 1 1 72 72 HIS H H 72 8.101 8.101 8.815 -0.714 17606 792 1 2 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.414 0.130 17606 793 1 2 . 1 1 73 73 HIS CA C 73 56.078 56.078 56.739 -0.661 17606 794 1 2 . 1 1 73 73 HIS CB C 73 30.551 30.551 28.229 2.322 17606 795 1 2 . 1 1 74 74 HIS N N 74 120.202 120.202 122.309 -2.107 17606 796 1 2 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.519 -0.317 17606 797 1 2 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.819 0.216 17606 798 1 2 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.070 0.162 17606 799 1 2 . 1 1 74 74 HIS H H 74 8.189 8.189 8.311 -0.122 17606 800 1 2 . 1 1 75 75 HIS N N 75 120.367 120.367 121.623 -1.256 17606 801 1 2 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.879 -0.456 17606 802 1 2 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.124 -0.609 17606 803 1 2 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.241 3.027 17606 804 1 2 . 1 1 75 75 HIS H H 75 8.258 8.258 7.971 0.287 17606 805 1 3 . 1 1 2 2 ASP N N 2 121.539 121.539 121.061 0.478 17606 806 1 3 . 1 1 2 2 ASP HA H 2 4.555 4.555 5.381 -0.826 17606 807 1 3 . 1 1 2 2 ASP C C 2 176.030 176.030 175.006 1.024 17606 808 1 3 . 1 1 2 2 ASP CA C 2 54.553 54.553 53.083 1.470 17606 809 1 3 . 1 1 2 2 ASP CB C 2 41.304 41.304 42.988 -1.684 17606 810 1 3 . 1 1 2 2 ASP H H 2 8.515 8.515 8.610 -0.095 17606 811 1 3 . 1 1 3 3 MET N N 3 120.469 120.469 118.768 1.701 17606 812 1 3 . 1 1 3 3 MET HA H 3 4.472 4.472 4.708 -0.236 17606 813 1 3 . 1 1 3 3 MET C C 3 176.040 176.040 174.024 2.016 17606 814 1 3 . 1 1 3 3 MET CA C 3 55.373 55.373 54.925 0.448 17606 815 1 3 . 1 1 3 3 MET CB C 3 33.196 33.196 35.669 -2.473 17606 816 1 3 . 1 1 3 3 MET H H 3 8.340 8.340 8.444 -0.104 17606 817 1 3 . 1 1 4 4 GLU N N 4 123.512 123.512 123.565 -0.053 17606 818 1 3 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.460 0.078 17606 819 1 3 . 1 1 4 4 GLU C C 4 174.592 174.592 174.725 -0.133 17606 820 1 3 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.903 -0.349 17606 821 1 3 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.578 0.068 17606 822 1 3 . 1 1 4 4 GLU H H 4 8.424 8.424 8.403 0.021 17606 823 1 3 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.422 -0.020 17606 824 1 3 . 1 1 5 5 PRO C C 5 176.669 176.669 175.909 0.760 17606 825 1 3 . 1 1 5 5 PRO CA C 5 63.491 63.491 62.907 0.584 17606 826 1 3 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.091 0.911 17606 827 1 3 . 1 1 6 6 CYS N N 6 119.970 119.970 121.930 -1.960 17606 828 1 3 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.545 -0.023 17606 829 1 3 . 1 1 6 6 CYS C C 6 175.020 175.020 176.033 -1.013 17606 830 1 3 . 1 1 6 6 CYS CA C 6 58.662 58.662 58.867 -0.205 17606 831 1 3 . 1 1 6 6 CYS CB C 6 27.638 27.638 29.686 -2.048 17606 832 1 3 . 1 1 6 6 CYS H H 6 8.539 8.539 8.212 0.327 17606 833 1 3 . 1 1 7 7 LEU N N 7 125.146 125.146 122.797 2.349 17606 834 1 3 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.731 -0.298 17606 835 1 3 . 1 1 7 7 LEU C C 7 178.244 178.244 177.316 0.928 17606 836 1 3 . 1 1 7 7 LEU CA C 7 55.361 55.361 55.985 -0.624 17606 837 1 3 . 1 1 7 7 LEU CB C 7 42.687 42.687 41.793 0.894 17606 838 1 3 . 1 1 7 7 LEU H H 7 8.649 8.649 8.580 0.069 17606 839 1 3 . 1 1 8 8 THR N N 8 116.760 116.760 111.169 5.591 17606 840 1 3 . 1 1 8 8 THR HA H 8 3.966 3.966 4.329 -0.363 17606 841 1 3 . 1 1 8 8 THR C C 8 175.108 175.108 175.503 -0.395 17606 842 1 3 . 1 1 8 8 THR CA C 8 64.244 64.244 62.556 1.688 17606 843 1 3 . 1 1 8 8 THR CB C 8 69.071 69.071 69.294 -0.223 17606 844 1 3 . 1 1 8 8 THR H H 8 8.124 8.124 7.603 0.521 17606 845 1 3 . 1 1 9 9 GLY N N 9 113.810 113.810 114.382 -0.572 17606 846 1 3 . 1 1 9 9 GLY C C 9 174.510 174.510 174.963 -0.453 17606 847 1 3 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.871 0.141 17606 848 1 3 . 1 1 9 9 GLY H H 9 9.095 9.095 8.877 0.218 17606 849 1 3 . 1 1 10 10 THR N N 10 116.938 116.938 119.043 -2.105 17606 850 1 3 . 1 1 10 10 THR HA H 10 4.179 4.179 4.148 0.031 17606 851 1 3 . 1 1 10 10 THR C C 10 173.450 173.450 174.130 -0.680 17606 852 1 3 . 1 1 10 10 THR CA C 10 64.192 64.192 63.553 0.639 17606 853 1 3 . 1 1 10 10 THR CB C 10 70.093 70.093 69.327 0.766 17606 854 1 3 . 1 1 10 10 THR H H 10 8.002 8.002 7.608 0.394 17606 855 1 3 . 1 1 11 11 LYS N N 11 127.263 127.263 128.417 -1.154 17606 856 1 3 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.741 0.085 17606 857 1 3 . 1 1 11 11 LYS C C 11 176.157 176.157 176.122 0.035 17606 858 1 3 . 1 1 11 11 LYS CA C 11 56.741 56.741 56.049 0.692 17606 859 1 3 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.478 0.076 17606 860 1 3 . 1 1 11 11 LYS H H 11 8.514 8.514 8.541 -0.027 17606 861 1 3 . 1 1 12 12 VAL N N 12 116.892 116.892 118.618 -1.726 17606 862 1 3 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.401 0.189 17606 863 1 3 . 1 1 12 12 VAL C C 12 174.476 174.476 174.349 0.127 17606 864 1 3 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.125 0.087 17606 865 1 3 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.823 0.721 17606 866 1 3 . 1 1 12 12 VAL H H 12 8.738 8.738 8.904 -0.166 17606 867 1 3 . 1 1 13 13 LYS N N 13 118.427 118.427 120.421 -1.994 17606 868 1 3 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.963 0.160 17606 869 1 3 . 1 1 13 13 LYS C C 13 174.853 174.853 174.984 -0.131 17606 870 1 3 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.142 0.841 17606 871 1 3 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.036 0.751 17606 872 1 3 . 1 1 13 13 LYS H H 13 7.677 7.677 8.010 -0.333 17606 873 1 3 . 1 1 14 14 VAL N N 14 120.913 120.913 123.733 -2.820 17606 874 1 3 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.704 0.122 17606 875 1 3 . 1 1 14 14 VAL C C 14 175.645 175.645 174.528 1.117 17606 876 1 3 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.402 -0.011 17606 877 1 3 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.370 0.657 17606 878 1 3 . 1 1 14 14 VAL H H 14 9.178 9.178 9.272 -0.094 17606 879 1 3 . 1 1 15 15 LYS N N 15 125.862 125.862 126.812 -0.950 17606 880 1 3 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.664 -0.082 17606 881 1 3 . 1 1 15 15 LYS C C 15 175.430 175.430 174.730 0.700 17606 882 1 3 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.427 1.264 17606 883 1 3 . 1 1 15 15 LYS CB C 15 33.764 33.764 33.189 0.575 17606 884 1 3 . 1 1 15 15 LYS H H 15 9.010 9.010 8.928 0.082 17606 885 1 3 . 1 1 16 16 TYR N N 16 127.499 127.499 126.237 1.262 17606 886 1 3 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.662 -0.024 17606 887 1 3 . 1 1 16 16 TYR C C 16 175.096 175.096 173.733 1.363 17606 888 1 3 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.063 1.285 17606 889 1 3 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.504 0.989 17606 890 1 3 . 1 1 16 16 TYR H H 16 9.305 9.305 8.967 0.338 17606 891 1 3 . 1 1 17 17 GLY N N 17 115.501 115.501 113.308 2.193 17606 892 1 3 . 1 1 17 17 GLY C C 17 173.380 173.380 171.364 2.016 17606 893 1 3 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.231 -1.015 17606 894 1 3 . 1 1 17 17 GLY H H 17 8.383 8.383 7.732 0.651 17606 895 1 3 . 1 1 18 18 ARG N N 18 117.847 117.847 117.936 -0.089 17606 896 1 3 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.789 -0.184 17606 897 1 3 . 1 1 18 18 ARG C C 18 175.941 175.941 176.820 -0.879 17606 898 1 3 . 1 1 18 18 ARG CA C 18 55.340 55.340 53.968 1.372 17606 899 1 3 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.224 2.962 17606 900 1 3 . 1 1 18 18 ARG H H 18 8.305 8.305 8.493 -0.188 17606 901 1 3 . 1 1 19 19 GLY N N 19 110.572 110.572 115.206 -4.634 17606 902 1 3 . 1 1 19 19 GLY C C 19 176.227 176.227 175.567 0.660 17606 903 1 3 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.908 -1.018 17606 904 1 3 . 1 1 19 19 GLY H H 19 8.857 8.857 8.901 -0.044 17606 905 1 3 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.164 0.020 17606 906 1 3 . 1 1 20 20 LYS C C 20 177.694 177.694 177.176 0.518 17606 907 1 3 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.973 0.406 17606 908 1 3 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.207 0.286 17606 909 1 3 . 1 1 20 20 LYS H H 20 6.723 6.723 8.403 -1.680 17606 910 1 3 . 1 1 21 21 THR N N 21 108.329 108.329 114.888 -6.559 17606 911 1 3 . 1 1 21 21 THR HA H 21 4.437 4.437 4.312 0.125 17606 912 1 3 . 1 1 21 21 THR C C 21 173.999 173.999 173.753 0.246 17606 913 1 3 . 1 1 21 21 THR CA C 21 60.895 60.895 62.936 -2.041 17606 914 1 3 . 1 1 21 21 THR CB C 21 68.907 68.907 68.957 -0.050 17606 915 1 3 . 1 1 21 21 THR H H 21 7.839 7.839 7.822 0.017 17606 916 1 3 . 1 1 22 22 GLN N N 22 123.126 123.126 121.624 1.502 17606 917 1 3 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.062 0.368 17606 918 1 3 . 1 1 22 22 GLN C C 22 175.190 175.190 174.807 0.383 17606 919 1 3 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.687 1.108 17606 920 1 3 . 1 1 22 22 GLN CB C 22 31.031 31.031 28.792 2.239 17606 921 1 3 . 1 1 22 22 GLN H H 22 7.503 7.503 7.302 0.201 17606 922 1 3 . 1 1 23 23 LYS N N 23 126.763 126.763 123.893 2.870 17606 923 1 3 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.485 0.052 17606 924 1 3 . 1 1 23 23 LYS C C 23 174.087 174.087 174.234 -0.147 17606 925 1 3 . 1 1 23 23 LYS CA C 23 54.444 54.444 53.993 0.451 17606 926 1 3 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.198 1.297 17606 927 1 3 . 1 1 23 23 LYS H H 23 8.937 8.937 7.861 1.076 17606 928 1 3 . 1 1 24 24 ILE N N 24 120.287 120.287 119.839 0.448 17606 929 1 3 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.613 0.137 17606 930 1 3 . 1 1 24 24 ILE C C 24 175.772 175.772 175.031 0.741 17606 931 1 3 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.967 -0.047 17606 932 1 3 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.191 0.063 17606 933 1 3 . 1 1 24 24 ILE H H 24 7.980 7.980 8.160 -0.180 17606 934 1 3 . 1 1 25 25 TYR N N 25 126.020 126.020 127.177 -1.157 17606 935 1 3 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.787 0.284 17606 936 1 3 . 1 1 25 25 TYR C C 25 175.859 175.859 175.037 0.822 17606 937 1 3 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.583 0.277 17606 938 1 3 . 1 1 25 25 TYR CB C 25 42.467 42.467 41.817 0.650 17606 939 1 3 . 1 1 25 25 TYR H H 25 8.885 8.885 9.152 -0.267 17606 940 1 3 . 1 1 26 26 GLU N N 26 121.186 121.186 119.432 1.754 17606 941 1 3 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.072 -0.430 17606 942 1 3 . 1 1 26 26 GLU C C 26 176.001 176.001 175.573 0.428 17606 943 1 3 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.595 1.533 17606 944 1 3 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.475 -0.752 17606 945 1 3 . 1 1 26 26 GLU H H 26 8.915 8.915 8.810 0.105 17606 946 1 3 . 1 1 27 27 ALA N N 27 125.281 125.281 127.900 -2.619 17606 947 1 3 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.910 0.060 17606 948 1 3 . 1 1 27 27 ALA C C 27 175.178 175.178 175.268 -0.090 17606 949 1 3 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.843 0.472 17606 950 1 3 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.729 1.926 17606 951 1 3 . 1 1 27 27 ALA H H 27 8.834 8.834 9.265 -0.431 17606 952 1 3 . 1 1 28 28 SER N N 28 112.133 112.133 112.894 -0.761 17606 953 1 3 . 1 1 28 28 SER HA H 28 5.328 5.328 5.604 -0.276 17606 954 1 3 . 1 1 28 28 SER C C 28 174.404 174.404 173.991 0.413 17606 955 1 3 . 1 1 28 28 SER CA C 28 56.133 56.133 55.831 0.301 17606 956 1 3 . 1 1 28 28 SER CB C 28 66.075 66.075 66.274 -0.199 17606 957 1 3 . 1 1 28 28 SER H H 28 8.529 8.529 8.828 -0.299 17606 958 1 3 . 1 1 29 29 ILE N N 29 122.044 122.044 123.302 -1.258 17606 959 1 3 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.111 0.031 17606 960 1 3 . 1 1 29 29 ILE C C 29 176.473 176.473 176.003 0.470 17606 961 1 3 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.133 1.428 17606 962 1 3 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.714 1.310 17606 963 1 3 . 1 1 29 29 ILE H H 29 8.431 8.431 8.729 -0.298 17606 964 1 3 . 1 1 30 30 LYS N N 30 128.795 128.795 129.679 -0.884 17606 965 1 3 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.375 0.035 17606 966 1 3 . 1 1 30 30 LYS C C 30 176.559 176.559 175.707 0.852 17606 967 1 3 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.448 0.561 17606 968 1 3 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.008 -0.127 17606 969 1 3 . 1 1 30 30 LYS H H 30 9.687 9.687 8.994 0.693 17606 970 1 3 . 1 1 31 31 SER N N 31 111.044 111.044 112.469 -1.425 17606 971 1 3 . 1 1 31 31 SER HA H 31 4.671 4.671 4.765 -0.094 17606 972 1 3 . 1 1 31 31 SER C C 31 172.457 172.457 172.077 0.380 17606 973 1 3 . 1 1 31 31 SER CA C 31 57.353 57.353 57.893 -0.540 17606 974 1 3 . 1 1 31 31 SER CB C 31 64.824 64.824 66.608 -1.784 17606 975 1 3 . 1 1 31 31 SER H H 31 7.537 7.537 7.812 -0.275 17606 976 1 3 . 1 1 32 32 THR N N 32 113.911 113.911 115.655 -1.744 17606 977 1 3 . 1 1 32 32 THR HA H 32 5.564 5.564 5.055 0.509 17606 978 1 3 . 1 1 32 32 THR C C 32 173.003 173.003 172.822 0.181 17606 979 1 3 . 1 1 32 32 THR CA C 32 60.589 60.589 61.122 -0.533 17606 980 1 3 . 1 1 32 32 THR CB C 32 72.217 72.217 71.628 0.589 17606 981 1 3 . 1 1 32 32 THR H H 32 8.237 8.237 8.251 -0.014 17606 982 1 3 . 1 1 33 33 GLU N N 33 123.514 123.514 122.287 1.227 17606 983 1 3 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.704 -0.076 17606 984 1 3 . 1 1 33 33 GLU C C 33 173.487 173.487 174.411 -0.924 17606 985 1 3 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.896 0.560 17606 986 1 3 . 1 1 33 33 GLU CB C 33 34.099 34.099 32.896 1.203 17606 987 1 3 . 1 1 33 33 GLU H H 33 8.970 8.970 9.161 -0.191 17606 988 1 3 . 1 1 34 34 ILE N N 34 122.095 122.095 121.054 1.041 17606 989 1 3 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.831 -0.096 17606 990 1 3 . 1 1 34 34 ILE C C 34 175.620 175.620 175.200 0.420 17606 991 1 3 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.426 -0.379 17606 992 1 3 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.566 -0.909 17606 993 1 3 . 1 1 34 34 ILE H H 34 8.505 8.505 8.582 -0.077 17606 994 1 3 . 1 1 35 35 ASP N N 35 127.840 127.840 129.169 -1.329 17606 995 1 3 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.725 0.048 17606 996 1 3 . 1 1 35 35 ASP C C 35 175.804 175.804 175.475 0.329 17606 997 1 3 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.236 -0.000 17606 998 1 3 . 1 1 35 35 ASP CB C 35 43.419 43.419 42.325 1.093 17606 999 1 3 . 1 1 35 35 ASP H H 35 8.948 8.948 9.055 -0.107 17606 1000 1 3 . 1 1 36 36 ASP N N 36 127.315 127.315 126.910 0.405 17606 1001 1 3 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.335 -0.072 17606 1002 1 3 . 1 1 36 36 ASP C C 36 175.993 175.993 176.784 -0.791 17606 1003 1 3 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.513 0.607 17606 1004 1 3 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.620 -0.961 17606 1005 1 3 . 1 1 36 36 ASP H H 36 9.065 9.065 8.994 0.071 17606 1006 1 3 . 1 1 37 37 GLY N N 37 103.112 103.112 108.227 -5.115 17606 1007 1 3 . 1 1 37 37 GLY C C 37 173.541 173.541 173.386 0.155 17606 1008 1 3 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.362 0.109 17606 1009 1 3 . 1 1 37 37 GLY H H 37 8.045 8.045 8.527 -0.482 17606 1010 1 3 . 1 1 38 38 GLU N N 38 121.172 121.172 119.738 1.434 17606 1011 1 3 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.596 0.055 17606 1012 1 3 . 1 1 38 38 GLU C C 38 174.246 174.246 175.010 -0.764 17606 1013 1 3 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.789 -0.070 17606 1014 1 3 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.709 0.497 17606 1015 1 3 . 1 1 38 38 GLU H H 38 7.769 7.769 7.386 0.383 17606 1016 1 3 . 1 1 39 39 VAL N N 39 123.983 123.983 124.810 -0.827 17606 1017 1 3 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.704 -0.494 17606 1018 1 3 . 1 1 39 39 VAL C C 39 174.546 174.546 174.241 0.305 17606 1019 1 3 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.106 1.935 17606 1020 1 3 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.551 -0.282 17606 1021 1 3 . 1 1 39 39 VAL H H 39 8.455 8.455 8.797 -0.342 17606 1022 1 3 . 1 1 40 40 LEU N N 40 127.105 127.105 129.067 -1.962 17606 1023 1 3 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.136 -0.044 17606 1024 1 3 . 1 1 40 40 LEU C C 40 175.819 175.819 175.695 0.124 17606 1025 1 3 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.633 -0.380 17606 1026 1 3 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.079 2.411 17606 1027 1 3 . 1 1 40 40 LEU H H 40 8.947 8.947 9.205 -0.258 17606 1028 1 3 . 1 1 41 41 TYR N N 41 119.021 119.021 120.955 -1.934 17606 1029 1 3 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.960 0.147 17606 1030 1 3 . 1 1 41 41 TYR C C 41 173.968 173.968 174.457 -0.489 17606 1031 1 3 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.250 -0.394 17606 1032 1 3 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.383 -0.241 17606 1033 1 3 . 1 1 41 41 TYR H H 41 9.337 9.337 9.616 -0.279 17606 1034 1 3 . 1 1 42 42 LEU N N 42 128.770 128.770 125.055 3.715 17606 1035 1 3 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.698 -0.725 17606 1036 1 3 . 1 1 42 42 LEU C C 42 175.491 175.491 174.847 0.644 17606 1037 1 3 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.829 0.538 17606 1038 1 3 . 1 1 42 42 LEU CB C 42 39.696 39.696 44.064 -4.368 17606 1039 1 3 . 1 1 42 42 LEU H H 42 8.304 8.304 8.883 -0.579 17606 1040 1 3 . 1 1 43 43 VAL N N 43 121.269 121.269 122.512 -1.243 17606 1041 1 3 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.977 0.003 17606 1042 1 3 . 1 1 43 43 VAL C C 43 173.257 173.257 173.454 -0.197 17606 1043 1 3 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.950 -0.639 17606 1044 1 3 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.503 -0.449 17606 1045 1 3 . 1 1 43 43 VAL H H 43 8.847 8.847 9.014 -0.167 17606 1046 1 3 . 1 1 44 44 HIS N N 44 118.126 118.126 125.544 -7.418 17606 1047 1 3 . 1 1 44 44 HIS C C 44 174.272 174.272 173.768 0.504 17606 1048 1 3 . 1 1 44 44 HIS CA C 44 53.319 53.319 53.419 -0.100 17606 1049 1 3 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.353 -1.337 17606 1050 1 3 . 1 1 44 44 HIS H H 44 8.286 8.286 9.003 -0.717 17606 1051 1 3 . 1 1 45 45 TYR N N 45 127.711 127.711 127.409 0.302 17606 1052 1 3 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.174 -0.075 17606 1053 1 3 . 1 1 45 45 TYR C C 45 175.343 175.343 175.934 -0.591 17606 1054 1 3 . 1 1 45 45 TYR CA C 45 58.240 58.240 58.224 0.016 17606 1055 1 3 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.454 0.046 17606 1056 1 3 . 1 1 45 45 TYR H H 45 8.013 8.013 8.265 -0.252 17606 1057 1 3 . 1 1 46 46 TYR N N 46 121.373 121.373 119.854 1.519 17606 1058 1 3 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.517 -0.303 17606 1059 1 3 . 1 1 46 46 TYR CA C 46 58.945 58.945 58.018 0.927 17606 1060 1 3 . 1 1 46 46 TYR CB C 46 38.400 38.400 38.037 0.363 17606 1061 1 3 . 1 1 46 46 TYR H H 46 7.842 7.842 8.348 -0.506 17606 1062 1 3 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.606 -0.459 17606 1063 1 3 . 1 1 48 48 TRP N N 48 121.413 121.413 119.294 2.119 17606 1064 1 3 . 1 1 48 48 TRP CA C 48 55.966 55.966 56.371 -0.405 17606 1065 1 3 . 1 1 48 48 TRP CB C 48 30.399 30.399 31.158 -0.759 17606 1066 1 3 . 1 1 48 48 TRP H H 48 8.105 8.105 7.575 0.530 17606 1067 1 3 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.001 0.173 17606 1068 1 3 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.674 -1.791 17606 1069 1 3 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.043 0.181 17606 1070 1 3 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.354 -0.236 17606 1071 1 3 . 1 1 51 51 ARG C C 51 176.010 176.010 176.606 -0.596 17606 1072 1 3 . 1 1 51 51 ARG CA C 51 57.004 57.004 57.398 -0.394 17606 1073 1 3 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.652 -0.718 17606 1074 1 3 . 1 1 52 52 TYR N N 52 119.263 119.263 116.726 2.537 17606 1075 1 3 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.800 -0.164 17606 1076 1 3 . 1 1 52 52 TYR CA C 52 58.000 58.000 58.697 -0.697 17606 1077 1 3 . 1 1 52 52 TYR CB C 52 38.804 38.804 40.781 -1.977 17606 1078 1 3 . 1 1 52 52 TYR H H 52 7.860 7.860 7.869 -0.009 17606 1079 1 3 . 1 1 53 53 ASP N N 53 122.103 122.103 115.636 6.467 17606 1080 1 3 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.680 0.297 17606 1081 1 3 . 1 1 53 53 ASP CA C 53 55.272 55.272 53.529 1.743 17606 1082 1 3 . 1 1 53 53 ASP CB C 53 40.304 40.304 43.661 -3.357 17606 1083 1 3 . 1 1 53 53 ASP H H 53 8.014 8.014 7.814 0.200 17606 1084 1 3 . 1 1 54 54 GLU N N 54 119.733 119.733 119.809 -0.076 17606 1085 1 3 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.629 0.144 17606 1086 1 3 . 1 1 54 54 GLU C C 54 174.099 174.099 174.703 -0.604 17606 1087 1 3 . 1 1 54 54 GLU CA C 54 54.878 54.878 53.913 0.965 17606 1088 1 3 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.046 1.085 17606 1089 1 3 . 1 1 54 54 GLU H H 54 8.018 8.018 8.505 -0.487 17606 1090 1 3 . 1 1 55 55 TRP N N 55 124.675 124.675 123.174 1.501 17606 1091 1 3 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.705 -0.461 17606 1092 1 3 . 1 1 55 55 TRP C C 55 177.088 177.088 176.100 0.988 17606 1093 1 3 . 1 1 55 55 TRP CA C 55 56.389 56.389 55.995 0.395 17606 1094 1 3 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.729 -1.316 17606 1095 1 3 . 1 1 55 55 TRP H H 55 8.760 8.760 8.537 0.223 17606 1096 1 3 . 1 1 56 56 VAL N N 56 119.873 119.873 116.708 3.165 17606 1097 1 3 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.799 0.125 17606 1098 1 3 . 1 1 56 56 VAL C C 56 174.866 174.866 173.926 0.940 17606 1099 1 3 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.805 0.163 17606 1100 1 3 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.772 0.089 17606 1101 1 3 . 1 1 56 56 VAL H H 56 10.006 10.006 8.820 1.186 17606 1102 1 3 . 1 1 57 57 LYS N N 57 120.466 120.466 122.515 -2.049 17606 1103 1 3 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.045 -0.180 17606 1104 1 3 . 1 1 57 57 LYS C C 57 178.120 178.120 177.828 0.292 17606 1105 1 3 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.700 0.741 17606 1106 1 3 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.372 -0.188 17606 1107 1 3 . 1 1 57 57 LYS H H 57 8.361 8.361 8.355 0.006 17606 1108 1 3 . 1 1 58 58 ALA N N 58 120.318 120.318 124.254 -3.936 17606 1109 1 3 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.027 0.127 17606 1110 1 3 . 1 1 58 58 ALA C C 58 179.508 179.508 178.749 0.759 17606 1111 1 3 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.340 0.349 17606 1112 1 3 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.845 0.629 17606 1113 1 3 . 1 1 58 58 ALA H H 58 9.064 9.064 8.665 0.399 17606 1114 1 3 . 1 1 59 59 ASP N N 59 113.824 113.824 114.083 -0.259 17606 1115 1 3 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.522 0.015 17606 1116 1 3 . 1 1 59 59 ASP C C 59 177.499 177.499 176.073 1.426 17606 1117 1 3 . 1 1 59 59 ASP CA C 59 55.653 55.653 54.424 1.229 17606 1118 1 3 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.180 -0.446 17606 1119 1 3 . 1 1 59 59 ASP H H 59 8.256 8.256 8.580 -0.324 17606 1120 1 3 . 1 1 60 60 ARG N N 60 118.041 118.041 118.269 -0.228 17606 1121 1 3 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.607 -0.316 17606 1122 1 3 . 1 1 60 60 ARG C C 60 174.918 174.918 174.647 0.271 17606 1123 1 3 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.554 1.590 17606 1124 1 3 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.055 -0.046 17606 1125 1 3 . 1 1 60 60 ARG H H 60 7.931 7.931 7.859 0.072 17606 1126 1 3 . 1 1 61 61 ILE N N 61 118.787 118.787 118.824 -0.037 17606 1127 1 3 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.566 -0.449 17606 1128 1 3 . 1 1 61 61 ILE C C 61 175.243 175.243 175.840 -0.597 17606 1129 1 3 . 1 1 61 61 ILE CA C 61 60.413 60.413 58.003 2.410 17606 1130 1 3 . 1 1 61 61 ILE CB C 61 38.428 38.428 39.255 -0.827 17606 1131 1 3 . 1 1 61 61 ILE H H 61 7.463 7.463 7.265 0.198 17606 1132 1 3 . 1 1 62 62 ILE N N 62 127.975 127.975 125.340 2.635 17606 1133 1 3 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.331 -0.175 17606 1134 1 3 . 1 1 62 62 ILE C C 62 175.867 175.867 174.414 1.453 17606 1135 1 3 . 1 1 62 62 ILE CA C 62 60.436 60.436 60.116 0.320 17606 1136 1 3 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.825 -0.506 17606 1137 1 3 . 1 1 62 62 ILE H H 62 8.773 8.773 8.952 -0.179 17606 1138 1 3 . 1 1 63 63 TRP N N 63 131.233 131.233 130.113 1.120 17606 1139 1 3 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.800 -0.238 17606 1140 1 3 . 1 1 63 63 TRP C C 63 174.859 174.859 174.900 -0.041 17606 1141 1 3 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.712 -0.170 17606 1142 1 3 . 1 1 63 63 TRP CB C 63 28.659 28.659 28.900 -0.241 17606 1143 1 3 . 1 1 63 63 TRP H H 63 8.506 8.506 8.530 -0.024 17606 1144 1 3 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.280 0.269 17606 1145 1 3 . 1 1 64 64 PRO C C 64 176.966 176.966 175.975 0.991 17606 1146 1 3 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.846 -0.715 17606 1147 1 3 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.953 0.073 17606 1148 1 3 . 1 1 65 65 LEU N N 65 121.886 121.886 126.955 -5.069 17606 1149 1 3 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.374 -0.041 17606 1150 1 3 . 1 1 65 65 LEU C C 65 177.243 177.243 175.713 1.530 17606 1151 1 3 . 1 1 65 65 LEU CA C 65 55.492 55.492 54.743 0.749 17606 1152 1 3 . 1 1 65 65 LEU CB C 65 42.370 42.370 42.814 -0.444 17606 1153 1 3 . 1 1 65 65 LEU H H 65 8.426 8.426 7.816 0.610 17606 1154 1 3 . 1 1 66 66 ASP N N 66 120.509 120.509 120.064 0.445 17606 1155 1 3 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.408 0.170 17606 1156 1 3 . 1 1 66 66 ASP C C 66 176.402 176.402 174.778 1.624 17606 1157 1 3 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.213 -0.964 17606 1158 1 3 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.523 0.633 17606 1159 1 3 . 1 1 66 66 ASP H H 66 8.348 8.348 8.415 -0.067 17606 1160 1 3 . 1 1 67 67 LYS N N 67 121.925 121.925 119.006 2.919 17606 1161 1 3 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.564 -0.286 17606 1162 1 3 . 1 1 67 67 LYS C C 67 177.158 177.158 176.706 0.452 17606 1163 1 3 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.471 1.129 17606 1164 1 3 . 1 1 67 67 LYS CB C 67 32.753 32.753 33.333 -0.580 17606 1165 1 3 . 1 1 67 67 LYS H H 67 8.327 8.327 7.926 0.401 17606 1166 1 3 . 1 1 68 68 GLY N N 68 109.417 109.417 110.955 -1.538 17606 1167 1 3 . 1 1 68 68 GLY C C 68 174.413 174.413 173.099 1.314 17606 1168 1 3 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.320 0.303 17606 1169 1 3 . 1 1 68 68 GLY H H 68 8.558 8.558 8.822 -0.264 17606 1170 1 3 . 1 1 69 69 LEU N N 69 120.937 120.937 115.820 5.117 17606 1171 1 3 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.318 -0.063 17606 1172 1 3 . 1 1 69 69 LEU C C 69 177.559 177.559 174.740 2.819 17606 1173 1 3 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.373 0.953 17606 1174 1 3 . 1 1 69 69 LEU CB C 69 42.169 42.169 44.812 -2.643 17606 1175 1 3 . 1 1 69 69 LEU H H 69 7.972 7.972 7.347 0.625 17606 1176 1 3 . 1 1 70 70 GLU N N 70 120.764 120.764 123.030 -2.266 17606 1177 1 3 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.258 -0.132 17606 1178 1 3 . 1 1 70 70 GLU C C 70 176.435 176.435 176.732 -0.297 17606 1179 1 3 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.196 0.954 17606 1180 1 3 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.777 -0.918 17606 1181 1 3 . 1 1 70 70 GLU H H 70 8.443 8.443 8.454 -0.011 17606 1182 1 3 . 1 1 71 71 HIS N N 71 119.554 119.554 124.549 -4.995 17606 1183 1 3 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.745 -0.147 17606 1184 1 3 . 1 1 71 71 HIS C C 71 174.001 174.001 174.709 -0.708 17606 1185 1 3 . 1 1 71 71 HIS CA C 71 56.078 56.078 56.713 -0.635 17606 1186 1 3 . 1 1 71 71 HIS CB C 71 30.551 30.551 28.166 2.385 17606 1187 1 3 . 1 1 71 71 HIS H H 71 8.223 8.223 8.695 -0.472 17606 1188 1 3 . 1 1 72 72 HIS N N 72 125.509 125.509 119.906 5.603 17606 1189 1 3 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.575 -0.161 17606 1190 1 3 . 1 1 72 72 HIS C C 72 179.225 179.225 175.176 4.049 17606 1191 1 3 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.051 0.312 17606 1192 1 3 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.996 -0.546 17606 1193 1 3 . 1 1 72 72 HIS H H 72 8.101 8.101 8.071 0.030 17606 1194 1 3 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.928 -0.384 17606 1195 1 3 . 1 1 73 73 HIS CA C 73 56.078 56.078 55.654 0.424 17606 1196 1 3 . 1 1 73 73 HIS CB C 73 30.551 30.551 31.335 -0.784 17606 1197 1 3 . 1 1 74 74 HIS N N 74 120.202 120.202 121.213 -1.011 17606 1198 1 3 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.834 -0.632 17606 1199 1 3 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.881 0.154 17606 1200 1 3 . 1 1 74 74 HIS CB C 74 30.232 30.232 31.158 -0.926 17606 1201 1 3 . 1 1 74 74 HIS H H 74 8.189 8.189 8.767 -0.578 17606 1202 1 3 . 1 1 75 75 HIS N N 75 120.367 120.367 120.241 0.126 17606 1203 1 3 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.732 -0.309 17606 1204 1 3 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.039 -0.524 17606 1205 1 3 . 1 1 75 75 HIS CB C 75 33.268 33.268 31.369 1.899 17606 1206 1 3 . 1 1 75 75 HIS H H 75 8.258 8.258 8.239 0.019 17606 1207 1 4 . 1 1 2 2 ASP N N 2 121.539 121.539 121.376 0.163 17606 1208 1 4 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.841 -0.286 17606 1209 1 4 . 1 1 2 2 ASP C C 2 176.030 176.030 174.416 1.614 17606 1210 1 4 . 1 1 2 2 ASP CA C 2 54.553 54.553 53.676 0.877 17606 1211 1 4 . 1 1 2 2 ASP CB C 2 41.304 41.304 42.548 -1.244 17606 1212 1 4 . 1 1 2 2 ASP H H 2 8.515 8.515 8.376 0.139 17606 1213 1 4 . 1 1 3 3 MET N N 3 120.469 120.469 121.270 -0.801 17606 1214 1 4 . 1 1 3 3 MET HA H 3 4.472 4.472 4.448 0.024 17606 1215 1 4 . 1 1 3 3 MET C C 3 176.040 176.040 174.365 1.675 17606 1216 1 4 . 1 1 3 3 MET CA C 3 55.373 55.373 56.421 -1.048 17606 1217 1 4 . 1 1 3 3 MET CB C 3 33.196 33.196 32.736 0.460 17606 1218 1 4 . 1 1 3 3 MET H H 3 8.340 8.340 8.301 0.039 17606 1219 1 4 . 1 1 4 4 GLU N N 4 123.512 123.512 123.925 -0.413 17606 1220 1 4 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.057 0.481 17606 1221 1 4 . 1 1 4 4 GLU C C 4 174.592 174.592 174.688 -0.096 17606 1222 1 4 . 1 1 4 4 GLU CA C 4 54.554 54.554 57.297 -2.743 17606 1223 1 4 . 1 1 4 4 GLU CB C 4 29.646 29.646 27.490 2.156 17606 1224 1 4 . 1 1 4 4 GLU H H 4 8.424 8.424 8.792 -0.368 17606 1225 1 4 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.486 -0.084 17606 1226 1 4 . 1 1 5 5 PRO C C 5 176.669 176.669 176.839 -0.170 17606 1227 1 4 . 1 1 5 5 PRO CA C 5 63.491 63.491 62.738 0.753 17606 1228 1 4 . 1 1 5 5 PRO CB C 5 32.002 32.002 32.124 -0.122 17606 1229 1 4 . 1 1 6 6 CYS N N 6 119.970 119.970 119.022 0.948 17606 1230 1 4 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.287 0.235 17606 1231 1 4 . 1 1 6 6 CYS C C 6 175.020 175.020 175.319 -0.299 17606 1232 1 4 . 1 1 6 6 CYS CA C 6 58.662 58.662 59.258 -0.596 17606 1233 1 4 . 1 1 6 6 CYS CB C 6 27.638 27.638 28.592 -0.954 17606 1234 1 4 . 1 1 6 6 CYS H H 6 8.539 8.539 8.197 0.342 17606 1235 1 4 . 1 1 7 7 LEU N N 7 125.146 125.146 116.704 8.442 17606 1236 1 4 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.114 0.319 17606 1237 1 4 . 1 1 7 7 LEU C C 7 178.244 178.244 175.956 2.288 17606 1238 1 4 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.142 -0.781 17606 1239 1 4 . 1 1 7 7 LEU CB C 7 42.687 42.687 38.807 3.880 17606 1240 1 4 . 1 1 7 7 LEU H H 7 8.649 8.649 8.405 0.244 17606 1241 1 4 . 1 1 8 8 THR N N 8 116.760 116.760 110.738 6.022 17606 1242 1 4 . 1 1 8 8 THR HA H 8 3.966 3.966 4.307 -0.341 17606 1243 1 4 . 1 1 8 8 THR C C 8 175.108 175.108 175.694 -0.586 17606 1244 1 4 . 1 1 8 8 THR CA C 8 64.244 64.244 62.861 1.383 17606 1245 1 4 . 1 1 8 8 THR CB C 8 69.071 69.071 70.182 -1.111 17606 1246 1 4 . 1 1 8 8 THR H H 8 8.124 8.124 7.500 0.624 17606 1247 1 4 . 1 1 9 9 GLY N N 9 113.810 113.810 112.249 1.561 17606 1248 1 4 . 1 1 9 9 GLY C C 9 174.510 174.510 174.846 -0.336 17606 1249 1 4 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.408 -0.396 17606 1250 1 4 . 1 1 9 9 GLY H H 9 9.095 9.095 9.028 0.067 17606 1251 1 4 . 1 1 10 10 THR N N 10 116.938 116.938 119.398 -2.460 17606 1252 1 4 . 1 1 10 10 THR HA H 10 4.179 4.179 4.129 0.050 17606 1253 1 4 . 1 1 10 10 THR C C 10 173.450 173.450 173.996 -0.546 17606 1254 1 4 . 1 1 10 10 THR CA C 10 64.192 64.192 64.553 -0.361 17606 1255 1 4 . 1 1 10 10 THR CB C 10 70.093 70.093 69.268 0.825 17606 1256 1 4 . 1 1 10 10 THR H H 10 8.002 8.002 7.610 0.392 17606 1257 1 4 . 1 1 11 11 LYS N N 11 127.263 127.263 127.698 -0.435 17606 1258 1 4 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.938 -0.112 17606 1259 1 4 . 1 1 11 11 LYS C C 11 176.157 176.157 175.973 0.184 17606 1260 1 4 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.662 1.079 17606 1261 1 4 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.250 -0.695 17606 1262 1 4 . 1 1 11 11 LYS H H 11 8.514 8.514 8.381 0.133 17606 1263 1 4 . 1 1 12 12 VAL N N 12 116.892 116.892 119.789 -2.897 17606 1264 1 4 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.326 0.264 17606 1265 1 4 . 1 1 12 12 VAL C C 12 174.476 174.476 174.368 0.108 17606 1266 1 4 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.173 0.039 17606 1267 1 4 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.872 0.672 17606 1268 1 4 . 1 1 12 12 VAL H H 12 8.738 8.738 9.031 -0.293 17606 1269 1 4 . 1 1 13 13 LYS N N 13 118.427 118.427 120.307 -1.880 17606 1270 1 4 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.844 0.279 17606 1271 1 4 . 1 1 13 13 LYS C C 13 174.853 174.853 175.167 -0.314 17606 1272 1 4 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.569 0.415 17606 1273 1 4 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.404 1.383 17606 1274 1 4 . 1 1 13 13 LYS H H 13 7.677 7.677 7.673 0.004 17606 1275 1 4 . 1 1 14 14 VAL N N 14 120.913 120.913 123.971 -3.058 17606 1276 1 4 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.611 0.215 17606 1277 1 4 . 1 1 14 14 VAL C C 14 175.645 175.645 173.749 1.896 17606 1278 1 4 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.831 -0.440 17606 1279 1 4 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.980 0.047 17606 1280 1 4 . 1 1 14 14 VAL H H 14 9.178 9.178 9.257 -0.079 17606 1281 1 4 . 1 1 15 15 LYS N N 15 125.862 125.862 126.635 -0.773 17606 1282 1 4 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.820 -0.238 17606 1283 1 4 . 1 1 15 15 LYS C C 15 175.430 175.430 174.324 1.106 17606 1284 1 4 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.059 1.633 17606 1285 1 4 . 1 1 15 15 LYS CB C 15 33.764 33.764 35.159 -1.395 17606 1286 1 4 . 1 1 15 15 LYS H H 15 9.010 9.010 9.146 -0.136 17606 1287 1 4 . 1 1 16 16 TYR N N 16 127.499 127.499 127.999 -0.500 17606 1288 1 4 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.763 -0.125 17606 1289 1 4 . 1 1 16 16 TYR C C 16 175.096 175.096 173.513 1.583 17606 1290 1 4 . 1 1 16 16 TYR CA C 16 58.348 58.348 56.887 1.461 17606 1291 1 4 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.988 0.505 17606 1292 1 4 . 1 1 16 16 TYR H H 16 9.305 9.305 8.876 0.429 17606 1293 1 4 . 1 1 17 17 GLY N N 17 115.501 115.501 112.843 2.658 17606 1294 1 4 . 1 1 17 17 GLY C C 17 173.380 173.380 171.457 1.923 17606 1295 1 4 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.447 -1.231 17606 1296 1 4 . 1 1 17 17 GLY H H 17 8.383 8.383 7.830 0.553 17606 1297 1 4 . 1 1 18 18 ARG N N 18 117.847 117.847 118.569 -0.722 17606 1298 1 4 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.715 -0.110 17606 1299 1 4 . 1 1 18 18 ARG C C 18 175.941 175.941 176.721 -0.780 17606 1300 1 4 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.756 0.584 17606 1301 1 4 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.311 1.875 17606 1302 1 4 . 1 1 18 18 ARG H H 18 8.305 8.305 8.830 -0.525 17606 1303 1 4 . 1 1 19 19 GLY N N 19 110.572 110.572 115.206 -4.634 17606 1304 1 4 . 1 1 19 19 GLY C C 19 176.227 176.227 174.558 1.669 17606 1305 1 4 . 1 1 19 19 GLY CA C 19 45.890 45.890 45.813 0.077 17606 1306 1 4 . 1 1 19 19 GLY H H 19 8.857 8.857 8.645 0.212 17606 1307 1 4 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.219 -0.035 17606 1308 1 4 . 1 1 20 20 LYS C C 20 177.694 177.694 177.494 0.200 17606 1309 1 4 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.203 1.176 17606 1310 1 4 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.687 -0.194 17606 1311 1 4 . 1 1 20 20 LYS H H 20 6.723 6.723 8.514 -1.791 17606 1312 1 4 . 1 1 21 21 THR N N 21 108.329 108.329 119.425 -11.096 17606 1313 1 4 . 1 1 21 21 THR HA H 21 4.437 4.437 4.179 0.258 17606 1314 1 4 . 1 1 21 21 THR C C 21 173.999 173.999 172.574 1.425 17606 1315 1 4 . 1 1 21 21 THR CA C 21 60.895 60.895 63.132 -2.236 17606 1316 1 4 . 1 1 21 21 THR CB C 21 68.907 68.907 67.533 1.374 17606 1317 1 4 . 1 1 21 21 THR H H 21 7.839 7.839 7.776 0.063 17606 1318 1 4 . 1 1 22 22 GLN N N 22 123.126 123.126 126.029 -2.903 17606 1319 1 4 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.861 -0.431 17606 1320 1 4 . 1 1 22 22 GLN C C 22 175.190 175.190 173.904 1.286 17606 1321 1 4 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.697 2.098 17606 1322 1 4 . 1 1 22 22 GLN CB C 22 31.031 31.031 32.481 -1.450 17606 1323 1 4 . 1 1 22 22 GLN H H 22 7.503 7.503 8.275 -0.772 17606 1324 1 4 . 1 1 23 23 LYS N N 23 126.763 126.763 122.339 4.424 17606 1325 1 4 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.484 0.053 17606 1326 1 4 . 1 1 23 23 LYS C C 23 174.087 174.087 173.427 0.660 17606 1327 1 4 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.016 0.428 17606 1328 1 4 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.583 0.912 17606 1329 1 4 . 1 1 23 23 LYS H H 23 8.937 8.937 8.826 0.111 17606 1330 1 4 . 1 1 24 24 ILE N N 24 120.287 120.287 120.525 -0.238 17606 1331 1 4 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.480 0.270 17606 1332 1 4 . 1 1 24 24 ILE C C 24 175.772 175.772 175.472 0.300 17606 1333 1 4 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.583 0.337 17606 1334 1 4 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.000 0.254 17606 1335 1 4 . 1 1 24 24 ILE H H 24 7.980 7.980 8.274 -0.294 17606 1336 1 4 . 1 1 25 25 TYR N N 25 126.020 126.020 127.749 -1.729 17606 1337 1 4 . 1 1 25 25 TYR HA H 25 5.071 5.071 3.844 1.227 17606 1338 1 4 . 1 1 25 25 TYR C C 25 175.859 175.859 174.718 1.141 17606 1339 1 4 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.653 0.207 17606 1340 1 4 . 1 1 25 25 TYR CB C 25 42.467 42.467 41.380 1.087 17606 1341 1 4 . 1 1 25 25 TYR H H 25 8.885 8.885 9.003 -0.118 17606 1342 1 4 . 1 1 26 26 GLU N N 26 121.186 121.186 118.970 2.216 17606 1343 1 4 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.162 -0.520 17606 1344 1 4 . 1 1 26 26 GLU C C 26 176.001 176.001 175.451 0.550 17606 1345 1 4 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.336 1.792 17606 1346 1 4 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.322 -1.599 17606 1347 1 4 . 1 1 26 26 GLU H H 26 8.915 8.915 8.644 0.271 17606 1348 1 4 . 1 1 27 27 ALA N N 27 125.281 125.281 126.784 -1.503 17606 1349 1 4 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.413 -0.443 17606 1350 1 4 . 1 1 27 27 ALA C C 27 175.178 175.178 175.187 -0.009 17606 1351 1 4 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.851 0.464 17606 1352 1 4 . 1 1 27 27 ALA CB C 27 24.655 24.655 23.349 1.306 17606 1353 1 4 . 1 1 27 27 ALA H H 27 8.834 8.834 9.221 -0.387 17606 1354 1 4 . 1 1 28 28 SER N N 28 112.133 112.133 114.540 -2.407 17606 1355 1 4 . 1 1 28 28 SER HA H 28 5.328 5.328 5.434 -0.106 17606 1356 1 4 . 1 1 28 28 SER C C 28 174.404 174.404 174.469 -0.065 17606 1357 1 4 . 1 1 28 28 SER CA C 28 56.133 56.133 56.119 0.014 17606 1358 1 4 . 1 1 28 28 SER CB C 28 66.075 66.075 64.943 1.132 17606 1359 1 4 . 1 1 28 28 SER H H 28 8.529 8.529 8.237 0.292 17606 1360 1 4 . 1 1 29 29 ILE N N 29 122.044 122.044 122.800 -0.756 17606 1361 1 4 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.009 0.133 17606 1362 1 4 . 1 1 29 29 ILE C C 29 176.473 176.473 175.913 0.560 17606 1363 1 4 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.714 0.847 17606 1364 1 4 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.507 1.517 17606 1365 1 4 . 1 1 29 29 ILE H H 29 8.431 8.431 8.937 -0.506 17606 1366 1 4 . 1 1 30 30 LYS N N 30 128.795 128.795 129.174 -0.379 17606 1367 1 4 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.503 -0.093 17606 1368 1 4 . 1 1 30 30 LYS C C 30 176.559 176.559 175.798 0.761 17606 1369 1 4 . 1 1 30 30 LYS CA C 30 57.009 57.009 55.797 1.212 17606 1370 1 4 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.558 -0.677 17606 1371 1 4 . 1 1 30 30 LYS H H 30 9.687 9.687 9.019 0.668 17606 1372 1 4 . 1 1 31 31 SER N N 31 111.044 111.044 113.315 -2.271 17606 1373 1 4 . 1 1 31 31 SER HA H 31 4.671 4.671 4.778 -0.107 17606 1374 1 4 . 1 1 31 31 SER C C 31 172.457 172.457 172.280 0.177 17606 1375 1 4 . 1 1 31 31 SER CA C 31 57.353 57.353 57.551 -0.198 17606 1376 1 4 . 1 1 31 31 SER CB C 31 64.824 64.824 66.418 -1.594 17606 1377 1 4 . 1 1 31 31 SER H H 31 7.537 7.537 7.736 -0.199 17606 1378 1 4 . 1 1 32 32 THR N N 32 113.911 113.911 116.311 -2.400 17606 1379 1 4 . 1 1 32 32 THR HA H 32 5.564 5.564 5.054 0.510 17606 1380 1 4 . 1 1 32 32 THR C C 32 173.003 173.003 173.425 -0.422 17606 1381 1 4 . 1 1 32 32 THR CA C 32 60.589 60.589 61.583 -0.994 17606 1382 1 4 . 1 1 32 32 THR CB C 32 72.217 72.217 71.681 0.536 17606 1383 1 4 . 1 1 32 32 THR H H 32 8.237 8.237 8.395 -0.158 17606 1384 1 4 . 1 1 33 33 GLU N N 33 123.514 123.514 123.532 -0.018 17606 1385 1 4 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.694 -0.066 17606 1386 1 4 . 1 1 33 33 GLU C C 33 173.487 173.487 174.723 -1.236 17606 1387 1 4 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.142 0.314 17606 1388 1 4 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.336 -0.237 17606 1389 1 4 . 1 1 33 33 GLU H H 33 8.970 8.970 9.214 -0.244 17606 1390 1 4 . 1 1 34 34 ILE N N 34 122.095 122.095 122.077 0.018 17606 1391 1 4 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.772 -0.037 17606 1392 1 4 . 1 1 34 34 ILE C C 34 175.620 175.620 175.270 0.350 17606 1393 1 4 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.060 -0.013 17606 1394 1 4 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.132 -0.475 17606 1395 1 4 . 1 1 34 34 ILE H H 34 8.505 8.505 8.614 -0.110 17606 1396 1 4 . 1 1 35 35 ASP N N 35 127.840 127.840 128.732 -0.892 17606 1397 1 4 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.827 -0.054 17606 1398 1 4 . 1 1 35 35 ASP C C 35 175.804 175.804 175.355 0.449 17606 1399 1 4 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.104 0.131 17606 1400 1 4 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.278 0.141 17606 1401 1 4 . 1 1 35 35 ASP H H 35 8.948 8.948 9.203 -0.255 17606 1402 1 4 . 1 1 36 36 ASP N N 36 127.315 127.315 126.823 0.492 17606 1403 1 4 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.277 -0.014 17606 1404 1 4 . 1 1 36 36 ASP C C 36 175.993 175.993 176.378 -0.385 17606 1405 1 4 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.373 0.747 17606 1406 1 4 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.593 -0.934 17606 1407 1 4 . 1 1 36 36 ASP H H 36 9.065 9.065 8.677 0.388 17606 1408 1 4 . 1 1 37 37 GLY N N 37 103.112 103.112 108.068 -4.956 17606 1409 1 4 . 1 1 37 37 GLY C C 37 173.541 173.541 173.658 -0.117 17606 1410 1 4 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.082 0.389 17606 1411 1 4 . 1 1 37 37 GLY H H 37 8.045 8.045 8.359 -0.314 17606 1412 1 4 . 1 1 38 38 GLU N N 38 121.172 121.172 120.682 0.490 17606 1413 1 4 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.719 -0.068 17606 1414 1 4 . 1 1 38 38 GLU C C 38 174.246 174.246 175.214 -0.968 17606 1415 1 4 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.402 0.317 17606 1416 1 4 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.596 0.610 17606 1417 1 4 . 1 1 38 38 GLU H H 38 7.769 7.769 7.643 0.126 17606 1418 1 4 . 1 1 39 39 VAL N N 39 123.983 123.983 123.766 0.217 17606 1419 1 4 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.675 -0.465 17606 1420 1 4 . 1 1 39 39 VAL C C 39 174.546 174.546 175.379 -0.833 17606 1421 1 4 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.531 1.510 17606 1422 1 4 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.100 0.169 17606 1423 1 4 . 1 1 39 39 VAL H H 39 8.455 8.455 8.906 -0.451 17606 1424 1 4 . 1 1 40 40 LEU N N 40 127.105 127.105 127.801 -0.696 17606 1425 1 4 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.195 -0.103 17606 1426 1 4 . 1 1 40 40 LEU C C 40 175.819 175.819 175.915 -0.096 17606 1427 1 4 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.724 -0.471 17606 1428 1 4 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.490 2.000 17606 1429 1 4 . 1 1 40 40 LEU H H 40 8.947 8.947 9.244 -0.297 17606 1430 1 4 . 1 1 41 41 TYR N N 41 119.021 119.021 120.544 -1.523 17606 1431 1 4 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.009 0.098 17606 1432 1 4 . 1 1 41 41 TYR C C 41 173.968 173.968 174.511 -0.543 17606 1433 1 4 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.096 -0.240 17606 1434 1 4 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.467 -0.325 17606 1435 1 4 . 1 1 41 41 TYR H H 41 9.337 9.337 9.635 -0.298 17606 1436 1 4 . 1 1 42 42 LEU N N 42 128.770 128.770 125.026 3.744 17606 1437 1 4 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.510 -0.537 17606 1438 1 4 . 1 1 42 42 LEU C C 42 175.491 175.491 174.851 0.640 17606 1439 1 4 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.918 0.449 17606 1440 1 4 . 1 1 42 42 LEU CB C 42 39.696 39.696 41.851 -2.155 17606 1441 1 4 . 1 1 42 42 LEU H H 42 8.304 8.304 8.893 -0.589 17606 1442 1 4 . 1 1 43 43 VAL N N 43 121.269 121.269 120.465 0.804 17606 1443 1 4 . 1 1 43 43 VAL HA H 43 4.980 4.980 5.125 -0.145 17606 1444 1 4 . 1 1 43 43 VAL C C 43 173.257 173.257 173.907 -0.650 17606 1445 1 4 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.818 -0.507 17606 1446 1 4 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.527 -1.473 17606 1447 1 4 . 1 1 43 43 VAL H H 43 8.847 8.847 8.998 -0.151 17606 1448 1 4 . 1 1 44 44 HIS N N 44 118.126 118.126 119.856 -1.730 17606 1449 1 4 . 1 1 44 44 HIS C C 44 174.272 174.272 173.814 0.458 17606 1450 1 4 . 1 1 44 44 HIS CA C 44 53.319 53.319 53.604 -0.285 17606 1451 1 4 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.107 -1.091 17606 1452 1 4 . 1 1 44 44 HIS H H 44 8.286 8.286 7.886 0.400 17606 1453 1 4 . 1 1 45 45 TYR N N 45 127.711 127.711 124.414 3.297 17606 1454 1 4 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.711 -0.612 17606 1455 1 4 . 1 1 45 45 TYR C C 45 175.343 175.343 176.818 -1.475 17606 1456 1 4 . 1 1 45 45 TYR CA C 45 58.240 58.240 57.262 0.978 17606 1457 1 4 . 1 1 45 45 TYR CB C 45 37.500 37.500 35.910 1.590 17606 1458 1 4 . 1 1 45 45 TYR H H 45 8.013 8.013 8.191 -0.178 17606 1459 1 4 . 1 1 46 46 TYR N N 46 121.373 121.373 129.575 -8.202 17606 1460 1 4 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.301 -0.087 17606 1461 1 4 . 1 1 46 46 TYR CA C 46 58.945 58.945 61.579 -2.634 17606 1462 1 4 . 1 1 46 46 TYR CB C 46 38.400 38.400 38.956 -0.555 17606 1463 1 4 . 1 1 46 46 TYR H H 46 7.842 7.842 9.062 -1.220 17606 1464 1 4 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.090 0.057 17606 1465 1 4 . 1 1 48 48 TRP N N 48 121.413 121.413 120.408 1.005 17606 1466 1 4 . 1 1 48 48 TRP CA C 48 55.966 55.966 58.470 -2.504 17606 1467 1 4 . 1 1 48 48 TRP CB C 48 30.399 30.399 32.039 -1.641 17606 1468 1 4 . 1 1 48 48 TRP H H 48 8.105 8.105 7.693 0.412 17606 1469 1 4 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.899 0.275 17606 1470 1 4 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.533 -1.650 17606 1471 1 4 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.104 0.120 17606 1472 1 4 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.111 0.007 17606 1473 1 4 . 1 1 51 51 ARG C C 51 176.010 176.010 176.226 -0.216 17606 1474 1 4 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.450 0.554 17606 1475 1 4 . 1 1 51 51 ARG CB C 51 29.934 29.934 29.724 0.210 17606 1476 1 4 . 1 1 52 52 TYR N N 52 119.263 119.263 121.470 -2.207 17606 1477 1 4 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.253 0.383 17606 1478 1 4 . 1 1 52 52 TYR CA C 52 58.000 58.000 59.164 -1.164 17606 1479 1 4 . 1 1 52 52 TYR CB C 52 38.804 38.804 39.356 -0.552 17606 1480 1 4 . 1 1 52 52 TYR H H 52 7.860 7.860 7.654 0.206 17606 1481 1 4 . 1 1 53 53 ASP N N 53 122.103 122.103 118.528 3.575 17606 1482 1 4 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.377 0.600 17606 1483 1 4 . 1 1 53 53 ASP CA C 53 55.272 55.272 55.432 -0.160 17606 1484 1 4 . 1 1 53 53 ASP CB C 53 40.304 40.304 40.483 -0.179 17606 1485 1 4 . 1 1 53 53 ASP H H 53 8.014 8.014 8.468 -0.454 17606 1486 1 4 . 1 1 54 54 GLU N N 54 119.733 119.733 122.606 -2.873 17606 1487 1 4 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.714 0.059 17606 1488 1 4 . 1 1 54 54 GLU C C 54 174.099 174.099 174.780 -0.681 17606 1489 1 4 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.254 0.624 17606 1490 1 4 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.752 0.379 17606 1491 1 4 . 1 1 54 54 GLU H H 54 8.018 8.018 8.659 -0.641 17606 1492 1 4 . 1 1 55 55 TRP N N 55 124.675 124.675 124.282 0.393 17606 1493 1 4 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.953 -0.709 17606 1494 1 4 . 1 1 55 55 TRP C C 55 177.088 177.088 176.336 0.752 17606 1495 1 4 . 1 1 55 55 TRP CA C 55 56.389 56.389 55.932 0.457 17606 1496 1 4 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.656 -1.243 17606 1497 1 4 . 1 1 55 55 TRP H H 55 8.760 8.760 8.613 0.147 17606 1498 1 4 . 1 1 56 56 VAL N N 56 119.873 119.873 118.617 1.256 17606 1499 1 4 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.807 0.117 17606 1500 1 4 . 1 1 56 56 VAL C C 56 174.866 174.866 174.089 0.777 17606 1501 1 4 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.862 0.106 17606 1502 1 4 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.356 0.505 17606 1503 1 4 . 1 1 56 56 VAL H H 56 10.006 10.006 8.992 1.014 17606 1504 1 4 . 1 1 57 57 LYS N N 57 120.466 120.466 123.600 -3.134 17606 1505 1 4 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.398 -0.533 17606 1506 1 4 . 1 1 57 57 LYS C C 57 178.120 178.120 178.465 -0.345 17606 1507 1 4 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.394 0.047 17606 1508 1 4 . 1 1 57 57 LYS CB C 57 34.184 34.184 33.857 0.327 17606 1509 1 4 . 1 1 57 57 LYS H H 57 8.361 8.361 8.564 -0.203 17606 1510 1 4 . 1 1 58 58 ALA N N 58 120.318 120.318 123.885 -3.567 17606 1511 1 4 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.263 -0.109 17606 1512 1 4 . 1 1 58 58 ALA C C 58 179.508 179.508 179.651 -0.143 17606 1513 1 4 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.362 0.327 17606 1514 1 4 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.702 0.772 17606 1515 1 4 . 1 1 58 58 ALA H H 58 9.064 9.064 9.295 -0.231 17606 1516 1 4 . 1 1 59 59 ASP N N 59 113.824 113.824 117.074 -3.250 17606 1517 1 4 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.478 0.059 17606 1518 1 4 . 1 1 59 59 ASP C C 59 177.499 177.499 177.210 0.289 17606 1519 1 4 . 1 1 59 59 ASP CA C 59 55.653 55.653 57.338 -1.685 17606 1520 1 4 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.339 -0.605 17606 1521 1 4 . 1 1 59 59 ASP H H 59 8.256 8.256 8.918 -0.662 17606 1522 1 4 . 1 1 60 60 ARG N N 60 118.041 118.041 116.407 1.634 17606 1523 1 4 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.509 -0.218 17606 1524 1 4 . 1 1 60 60 ARG C C 60 174.918 174.918 175.006 -0.088 17606 1525 1 4 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.917 1.226 17606 1526 1 4 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.552 0.457 17606 1527 1 4 . 1 1 60 60 ARG H H 60 7.931 7.931 7.773 0.158 17606 1528 1 4 . 1 1 61 61 ILE N N 61 118.787 118.787 119.819 -1.032 17606 1529 1 4 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.601 -0.484 17606 1530 1 4 . 1 1 61 61 ILE C C 61 175.243 175.243 175.324 -0.081 17606 1531 1 4 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.735 0.678 17606 1532 1 4 . 1 1 61 61 ILE CB C 61 38.428 38.428 41.441 -3.013 17606 1533 1 4 . 1 1 61 61 ILE H H 61 7.463 7.463 7.574 -0.111 17606 1534 1 4 . 1 1 62 62 ILE N N 62 127.975 127.975 125.039 2.936 17606 1535 1 4 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.370 -0.214 17606 1536 1 4 . 1 1 62 62 ILE C C 62 175.867 175.867 174.703 1.164 17606 1537 1 4 . 1 1 62 62 ILE CA C 62 60.436 60.436 60.081 0.355 17606 1538 1 4 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.246 0.073 17606 1539 1 4 . 1 1 62 62 ILE H H 62 8.773 8.773 8.896 -0.123 17606 1540 1 4 . 1 1 63 63 TRP N N 63 131.233 131.233 129.346 1.887 17606 1541 1 4 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.871 -0.309 17606 1542 1 4 . 1 1 63 63 TRP C C 63 174.859 174.859 174.531 0.328 17606 1543 1 4 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.252 0.290 17606 1544 1 4 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.548 -0.889 17606 1545 1 4 . 1 1 63 63 TRP H H 63 8.506 8.506 8.350 0.156 17606 1546 1 4 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.403 0.146 17606 1547 1 4 . 1 1 64 64 PRO C C 64 176.966 176.966 176.143 0.823 17606 1548 1 4 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.273 -0.142 17606 1549 1 4 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.730 0.295 17606 1550 1 4 . 1 1 65 65 LEU N N 65 121.886 121.886 126.411 -4.525 17606 1551 1 4 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.302 0.031 17606 1552 1 4 . 1 1 65 65 LEU C C 65 177.243 177.243 175.311 1.932 17606 1553 1 4 . 1 1 65 65 LEU CA C 65 55.492 55.492 54.626 0.866 17606 1554 1 4 . 1 1 65 65 LEU CB C 65 42.370 42.370 42.955 -0.585 17606 1555 1 4 . 1 1 65 65 LEU H H 65 8.426 8.426 8.135 0.291 17606 1556 1 4 . 1 1 66 66 ASP N N 66 120.509 120.509 123.555 -3.046 17606 1557 1 4 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.327 0.251 17606 1558 1 4 . 1 1 66 66 ASP C C 66 176.402 176.402 175.045 1.357 17606 1559 1 4 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.489 -1.240 17606 1560 1 4 . 1 1 66 66 ASP CB C 66 41.156 41.156 41.425 -0.269 17606 1561 1 4 . 1 1 66 66 ASP H H 66 8.348 8.348 8.319 0.029 17606 1562 1 4 . 1 1 67 67 LYS N N 67 121.925 121.925 119.435 2.490 17606 1563 1 4 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.493 -0.215 17606 1564 1 4 . 1 1 67 67 LYS C C 67 177.158 177.158 177.096 0.062 17606 1565 1 4 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.488 0.111 17606 1566 1 4 . 1 1 67 67 LYS CB C 67 32.753 32.753 33.011 -0.258 17606 1567 1 4 . 1 1 67 67 LYS H H 67 8.327 8.327 8.319 0.008 17606 1568 1 4 . 1 1 68 68 GLY N N 68 109.417 109.417 108.931 0.486 17606 1569 1 4 . 1 1 68 68 GLY C C 68 174.413 174.413 174.532 -0.119 17606 1570 1 4 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.336 0.287 17606 1571 1 4 . 1 1 68 68 GLY H H 68 8.558 8.558 8.708 -0.150 17606 1572 1 4 . 1 1 69 69 LEU N N 69 120.937 120.937 120.155 0.782 17606 1573 1 4 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.083 0.172 17606 1574 1 4 . 1 1 69 69 LEU C C 69 177.559 177.559 176.026 1.533 17606 1575 1 4 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.907 0.419 17606 1576 1 4 . 1 1 69 69 LEU CB C 69 42.169 42.169 40.977 1.192 17606 1577 1 4 . 1 1 69 69 LEU H H 69 7.972 7.972 7.672 0.300 17606 1578 1 4 . 1 1 70 70 GLU N N 70 120.764 120.764 125.361 -4.597 17606 1579 1 4 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.494 -0.368 17606 1580 1 4 . 1 1 70 70 GLU C C 70 176.435 176.435 175.884 0.551 17606 1581 1 4 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.005 1.145 17606 1582 1 4 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.041 -0.183 17606 1583 1 4 . 1 1 70 70 GLU H H 70 8.443 8.443 8.713 -0.270 17606 1584 1 4 . 1 1 71 71 HIS N N 71 119.554 119.554 127.404 -7.850 17606 1585 1 4 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.474 0.124 17606 1586 1 4 . 1 1 71 71 HIS C C 71 174.001 174.001 175.151 -1.150 17606 1587 1 4 . 1 1 71 71 HIS CA C 71 56.078 56.078 56.029 0.049 17606 1588 1 4 . 1 1 71 71 HIS CB C 71 30.551 30.551 29.731 0.820 17606 1589 1 4 . 1 1 71 71 HIS H H 71 8.223 8.223 8.740 -0.517 17606 1590 1 4 . 1 1 72 72 HIS N N 72 125.509 125.509 125.574 -0.065 17606 1591 1 4 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.589 -0.175 17606 1592 1 4 . 1 1 72 72 HIS C C 72 179.225 179.225 175.284 3.941 17606 1593 1 4 . 1 1 72 72 HIS CA C 72 57.363 57.363 58.429 -1.067 17606 1594 1 4 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.167 0.283 17606 1595 1 4 . 1 1 72 72 HIS H H 72 8.101 8.101 8.167 -0.066 17606 1596 1 4 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.624 -0.080 17606 1597 1 4 . 1 1 73 73 HIS CA C 73 56.078 56.078 54.695 1.383 17606 1598 1 4 . 1 1 73 73 HIS CB C 73 30.551 30.551 27.530 3.021 17606 1599 1 4 . 1 1 74 74 HIS N N 74 120.202 120.202 121.864 -1.662 17606 1600 1 4 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.759 -0.557 17606 1601 1 4 . 1 1 74 74 HIS CA C 74 56.035 56.035 57.423 -1.388 17606 1602 1 4 . 1 1 74 74 HIS CB C 74 30.232 30.232 31.490 -1.258 17606 1603 1 4 . 1 1 74 74 HIS H H 74 8.189 8.189 8.193 -0.004 17606 1604 1 4 . 1 1 75 75 HIS N N 75 120.367 120.367 116.274 4.093 17606 1605 1 4 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.792 -0.369 17606 1606 1 4 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.133 -0.618 17606 1607 1 4 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.958 2.310 17606 1608 1 4 . 1 1 75 75 HIS H H 75 8.258 8.258 8.648 -0.390 17606 1609 1 5 . 1 1 2 2 ASP N N 2 121.539 121.539 122.400 -0.861 17606 1610 1 5 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.909 -0.354 17606 1611 1 5 . 1 1 2 2 ASP C C 2 176.030 176.030 175.852 0.178 17606 1612 1 5 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.654 -0.101 17606 1613 1 5 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.583 -0.279 17606 1614 1 5 . 1 1 2 2 ASP H H 2 8.515 8.515 8.593 -0.078 17606 1615 1 5 . 1 1 3 3 MET N N 3 120.469 120.469 119.504 0.965 17606 1616 1 5 . 1 1 3 3 MET HA H 3 4.472 4.472 4.446 0.026 17606 1617 1 5 . 1 1 3 3 MET C C 3 176.040 176.040 173.994 2.046 17606 1618 1 5 . 1 1 3 3 MET CA C 3 55.373 55.373 56.229 -0.856 17606 1619 1 5 . 1 1 3 3 MET CB C 3 33.196 33.196 32.926 0.270 17606 1620 1 5 . 1 1 3 3 MET H H 3 8.340 8.340 7.695 0.645 17606 1621 1 5 . 1 1 4 4 GLU N N 4 123.512 123.512 127.852 -4.340 17606 1622 1 5 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.601 -0.063 17606 1623 1 5 . 1 1 4 4 GLU C C 4 174.592 174.592 175.474 -0.882 17606 1624 1 5 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.117 0.438 17606 1625 1 5 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.975 -0.329 17606 1626 1 5 . 1 1 4 4 GLU H H 4 8.424 8.424 8.569 -0.145 17606 1627 1 5 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.367 0.035 17606 1628 1 5 . 1 1 5 5 PRO C C 5 176.669 176.669 175.915 0.754 17606 1629 1 5 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.321 0.170 17606 1630 1 5 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.047 0.955 17606 1631 1 5 . 1 1 6 6 CYS N N 6 119.970 119.970 119.775 0.195 17606 1632 1 5 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.498 0.024 17606 1633 1 5 . 1 1 6 6 CYS C C 6 175.020 175.020 174.246 0.774 17606 1634 1 5 . 1 1 6 6 CYS CA C 6 58.662 58.662 58.568 0.094 17606 1635 1 5 . 1 1 6 6 CYS CB C 6 27.638 27.638 25.826 1.812 17606 1636 1 5 . 1 1 6 6 CYS H H 6 8.539 8.539 8.061 0.478 17606 1637 1 5 . 1 1 7 7 LEU N N 7 125.146 125.146 117.477 7.669 17606 1638 1 5 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.033 0.400 17606 1639 1 5 . 1 1 7 7 LEU C C 7 178.244 178.244 177.262 0.982 17606 1640 1 5 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.225 -0.864 17606 1641 1 5 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.447 2.240 17606 1642 1 5 . 1 1 7 7 LEU H H 7 8.649 8.649 8.123 0.526 17606 1643 1 5 . 1 1 8 8 THR N N 8 116.760 116.760 111.272 5.488 17606 1644 1 5 . 1 1 8 8 THR HA H 8 3.966 3.966 4.225 -0.259 17606 1645 1 5 . 1 1 8 8 THR C C 8 175.108 175.108 176.128 -1.020 17606 1646 1 5 . 1 1 8 8 THR CA C 8 64.244 64.244 63.496 0.748 17606 1647 1 5 . 1 1 8 8 THR CB C 8 69.071 69.071 69.223 -0.152 17606 1648 1 5 . 1 1 8 8 THR H H 8 8.124 8.124 7.610 0.514 17606 1649 1 5 . 1 1 9 9 GLY N N 9 113.810 113.810 114.629 -0.819 17606 1650 1 5 . 1 1 9 9 GLY C C 9 174.510 174.510 174.193 0.317 17606 1651 1 5 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.586 -0.574 17606 1652 1 5 . 1 1 9 9 GLY H H 9 9.095 9.095 9.159 -0.064 17606 1653 1 5 . 1 1 10 10 THR N N 10 116.938 116.938 119.278 -2.340 17606 1654 1 5 . 1 1 10 10 THR HA H 10 4.179 4.179 4.202 -0.023 17606 1655 1 5 . 1 1 10 10 THR C C 10 173.450 173.450 174.067 -0.617 17606 1656 1 5 . 1 1 10 10 THR CA C 10 64.192 64.192 63.907 0.285 17606 1657 1 5 . 1 1 10 10 THR CB C 10 70.093 70.093 69.243 0.851 17606 1658 1 5 . 1 1 10 10 THR H H 10 8.002 8.002 7.631 0.371 17606 1659 1 5 . 1 1 11 11 LYS N N 11 127.263 127.263 128.723 -1.460 17606 1660 1 5 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.776 0.050 17606 1661 1 5 . 1 1 11 11 LYS C C 11 176.157 176.157 176.269 -0.112 17606 1662 1 5 . 1 1 11 11 LYS CA C 11 56.741 56.741 56.252 0.489 17606 1663 1 5 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.907 -0.352 17606 1664 1 5 . 1 1 11 11 LYS H H 11 8.514 8.514 8.523 -0.009 17606 1665 1 5 . 1 1 12 12 VAL N N 12 116.892 116.892 118.353 -1.461 17606 1666 1 5 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.370 0.220 17606 1667 1 5 . 1 1 12 12 VAL C C 12 174.476 174.476 174.365 0.111 17606 1668 1 5 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.854 0.358 17606 1669 1 5 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.631 0.913 17606 1670 1 5 . 1 1 12 12 VAL H H 12 8.738 8.738 8.774 -0.036 17606 1671 1 5 . 1 1 13 13 LYS N N 13 118.427 118.427 120.615 -2.188 17606 1672 1 5 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.001 0.122 17606 1673 1 5 . 1 1 13 13 LYS C C 13 174.853 174.853 175.062 -0.209 17606 1674 1 5 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.360 0.623 17606 1675 1 5 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.323 0.464 17606 1676 1 5 . 1 1 13 13 LYS H H 13 7.677 7.677 8.084 -0.407 17606 1677 1 5 . 1 1 14 14 VAL N N 14 120.913 120.913 124.632 -3.719 17606 1678 1 5 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.638 0.188 17606 1679 1 5 . 1 1 14 14 VAL C C 14 175.645 175.645 173.827 1.818 17606 1680 1 5 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.972 -0.581 17606 1681 1 5 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.685 0.342 17606 1682 1 5 . 1 1 14 14 VAL H H 14 9.178 9.178 9.228 -0.050 17606 1683 1 5 . 1 1 15 15 LYS N N 15 125.862 125.862 128.967 -3.105 17606 1684 1 5 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.873 -0.291 17606 1685 1 5 . 1 1 15 15 LYS C C 15 175.430 175.430 174.514 0.916 17606 1686 1 5 . 1 1 15 15 LYS CA C 15 56.691 56.691 54.336 2.355 17606 1687 1 5 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.151 -0.387 17606 1688 1 5 . 1 1 15 15 LYS H H 15 9.010 9.010 8.765 0.245 17606 1689 1 5 . 1 1 16 16 TYR N N 16 127.499 127.499 122.610 4.889 17606 1690 1 5 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.902 -0.264 17606 1691 1 5 . 1 1 16 16 TYR C C 16 175.096 175.096 173.077 2.019 17606 1692 1 5 . 1 1 16 16 TYR CA C 16 58.348 58.348 55.122 3.226 17606 1693 1 5 . 1 1 16 16 TYR CB C 16 42.493 42.493 40.382 2.111 17606 1694 1 5 . 1 1 16 16 TYR H H 16 9.305 9.305 8.716 0.589 17606 1695 1 5 . 1 1 17 17 GLY N N 17 115.501 115.501 108.217 7.284 17606 1696 1 5 . 1 1 17 17 GLY C C 17 173.380 173.380 172.211 1.169 17606 1697 1 5 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.543 -1.327 17606 1698 1 5 . 1 1 17 17 GLY H H 17 8.383 8.383 8.310 0.073 17606 1699 1 5 . 1 1 18 18 ARG N N 18 117.847 117.847 120.882 -3.035 17606 1700 1 5 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.524 0.081 17606 1701 1 5 . 1 1 18 18 ARG C C 18 175.941 175.941 175.998 -0.057 17606 1702 1 5 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.941 0.399 17606 1703 1 5 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.582 1.604 17606 1704 1 5 . 1 1 18 18 ARG H H 18 8.305 8.305 8.255 0.050 17606 1705 1 5 . 1 1 19 19 GLY N N 19 110.572 110.572 116.454 -5.882 17606 1706 1 5 . 1 1 19 19 GLY C C 19 176.227 176.227 175.359 0.868 17606 1707 1 5 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.311 -0.421 17606 1708 1 5 . 1 1 19 19 GLY H H 19 8.857 8.857 8.688 0.169 17606 1709 1 5 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.300 -0.116 17606 1710 1 5 . 1 1 20 20 LYS C C 20 177.694 177.694 177.214 0.480 17606 1711 1 5 . 1 1 20 20 LYS CA C 20 58.379 58.379 56.736 1.643 17606 1712 1 5 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.425 0.068 17606 1713 1 5 . 1 1 20 20 LYS H H 20 6.723 6.723 8.449 -1.726 17606 1714 1 5 . 1 1 21 21 THR N N 21 108.329 108.329 115.732 -7.403 17606 1715 1 5 . 1 1 21 21 THR HA H 21 4.437 4.437 4.220 0.217 17606 1716 1 5 . 1 1 21 21 THR C C 21 173.999 173.999 173.565 0.434 17606 1717 1 5 . 1 1 21 21 THR CA C 21 60.895 60.895 62.844 -1.949 17606 1718 1 5 . 1 1 21 21 THR CB C 21 68.907 68.907 68.901 0.006 17606 1719 1 5 . 1 1 21 21 THR H H 21 7.839 7.839 7.562 0.277 17606 1720 1 5 . 1 1 22 22 GLN N N 22 123.126 123.126 122.254 0.872 17606 1721 1 5 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.398 0.032 17606 1722 1 5 . 1 1 22 22 GLN C C 22 175.190 175.190 175.231 -0.041 17606 1723 1 5 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.956 0.839 17606 1724 1 5 . 1 1 22 22 GLN CB C 22 31.031 31.031 28.413 2.618 17606 1725 1 5 . 1 1 22 22 GLN H H 22 7.503 7.503 7.389 0.114 17606 1726 1 5 . 1 1 23 23 LYS N N 23 126.763 126.763 124.348 2.415 17606 1727 1 5 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.541 -0.004 17606 1728 1 5 . 1 1 23 23 LYS C C 23 174.087 174.087 174.109 -0.022 17606 1729 1 5 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.848 -0.404 17606 1730 1 5 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.202 1.293 17606 1731 1 5 . 1 1 23 23 LYS H H 23 8.937 8.937 8.352 0.585 17606 1732 1 5 . 1 1 24 24 ILE N N 24 120.287 120.287 120.306 -0.019 17606 1733 1 5 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.969 -0.219 17606 1734 1 5 . 1 1 24 24 ILE C C 24 175.772 175.772 175.452 0.320 17606 1735 1 5 . 1 1 24 24 ILE CA C 24 59.920 59.920 60.308 -0.388 17606 1736 1 5 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.162 0.092 17606 1737 1 5 . 1 1 24 24 ILE H H 24 7.980 7.980 8.223 -0.243 17606 1738 1 5 . 1 1 25 25 TYR N N 25 126.020 126.020 128.170 -2.150 17606 1739 1 5 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.667 0.404 17606 1740 1 5 . 1 1 25 25 TYR C C 25 175.859 175.859 174.794 1.065 17606 1741 1 5 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.747 0.113 17606 1742 1 5 . 1 1 25 25 TYR CB C 25 42.467 42.467 41.489 0.978 17606 1743 1 5 . 1 1 25 25 TYR H H 25 8.885 8.885 9.310 -0.425 17606 1744 1 5 . 1 1 26 26 GLU N N 26 121.186 121.186 119.356 1.830 17606 1745 1 5 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.146 -0.504 17606 1746 1 5 . 1 1 26 26 GLU C C 26 176.001 176.001 175.433 0.568 17606 1747 1 5 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.374 1.754 17606 1748 1 5 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.660 -0.937 17606 1749 1 5 . 1 1 26 26 GLU H H 26 8.915 8.915 8.757 0.158 17606 1750 1 5 . 1 1 27 27 ALA N N 27 125.281 125.281 128.167 -2.886 17606 1751 1 5 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.051 -0.081 17606 1752 1 5 . 1 1 27 27 ALA C C 27 175.178 175.178 175.641 -0.463 17606 1753 1 5 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.217 1.098 17606 1754 1 5 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.781 1.874 17606 1755 1 5 . 1 1 27 27 ALA H H 27 8.834 8.834 9.189 -0.355 17606 1756 1 5 . 1 1 28 28 SER N N 28 112.133 112.133 113.506 -1.373 17606 1757 1 5 . 1 1 28 28 SER HA H 28 5.328 5.328 5.411 -0.083 17606 1758 1 5 . 1 1 28 28 SER C C 28 174.404 174.404 173.762 0.642 17606 1759 1 5 . 1 1 28 28 SER CA C 28 56.133 56.133 56.422 -0.289 17606 1760 1 5 . 1 1 28 28 SER CB C 28 66.075 66.075 66.065 0.010 17606 1761 1 5 . 1 1 28 28 SER H H 28 8.529 8.529 8.735 -0.206 17606 1762 1 5 . 1 1 29 29 ILE N N 29 122.044 122.044 125.571 -3.527 17606 1763 1 5 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.765 0.377 17606 1764 1 5 . 1 1 29 29 ILE C C 29 176.473 176.473 175.845 0.628 17606 1765 1 5 . 1 1 29 29 ILE CA C 29 61.561 61.561 61.089 0.472 17606 1766 1 5 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.481 1.543 17606 1767 1 5 . 1 1 29 29 ILE H H 29 8.431 8.431 8.959 -0.528 17606 1768 1 5 . 1 1 30 30 LYS N N 30 128.795 128.795 128.465 0.330 17606 1769 1 5 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.279 0.131 17606 1770 1 5 . 1 1 30 30 LYS C C 30 176.559 176.559 175.931 0.628 17606 1771 1 5 . 1 1 30 30 LYS CA C 30 57.009 57.009 55.968 1.041 17606 1772 1 5 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.390 -0.509 17606 1773 1 5 . 1 1 30 30 LYS H H 30 9.687 9.687 8.765 0.922 17606 1774 1 5 . 1 1 31 31 SER N N 31 111.044 111.044 112.135 -1.091 17606 1775 1 5 . 1 1 31 31 SER HA H 31 4.671 4.671 4.600 0.071 17606 1776 1 5 . 1 1 31 31 SER C C 31 172.457 172.457 171.983 0.474 17606 1777 1 5 . 1 1 31 31 SER CA C 31 57.353 57.353 57.216 0.137 17606 1778 1 5 . 1 1 31 31 SER CB C 31 64.824 64.824 64.617 0.207 17606 1779 1 5 . 1 1 31 31 SER H H 31 7.537 7.537 7.899 -0.362 17606 1780 1 5 . 1 1 32 32 THR N N 32 113.911 113.911 118.007 -4.096 17606 1781 1 5 . 1 1 32 32 THR HA H 32 5.564 5.564 4.867 0.697 17606 1782 1 5 . 1 1 32 32 THR C C 32 173.003 173.003 173.185 -0.182 17606 1783 1 5 . 1 1 32 32 THR CA C 32 60.589 60.589 61.032 -0.443 17606 1784 1 5 . 1 1 32 32 THR CB C 32 72.217 72.217 71.222 0.994 17606 1785 1 5 . 1 1 32 32 THR H H 32 8.237 8.237 8.363 -0.126 17606 1786 1 5 . 1 1 33 33 GLU N N 33 123.514 123.514 123.456 0.058 17606 1787 1 5 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.655 -0.027 17606 1788 1 5 . 1 1 33 33 GLU C C 33 173.487 173.487 174.613 -1.126 17606 1789 1 5 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.939 0.517 17606 1790 1 5 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.376 -0.277 17606 1791 1 5 . 1 1 33 33 GLU H H 33 8.970 8.970 8.969 0.001 17606 1792 1 5 . 1 1 34 34 ILE N N 34 122.095 122.095 121.156 0.939 17606 1793 1 5 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.693 0.042 17606 1794 1 5 . 1 1 34 34 ILE C C 34 175.620 175.620 175.081 0.539 17606 1795 1 5 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.135 -0.088 17606 1796 1 5 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.118 -0.461 17606 1797 1 5 . 1 1 34 34 ILE H H 34 8.505 8.505 8.567 -0.062 17606 1798 1 5 . 1 1 35 35 ASP N N 35 127.840 127.840 127.929 -0.089 17606 1799 1 5 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.782 -0.009 17606 1800 1 5 . 1 1 35 35 ASP C C 35 175.804 175.804 175.808 -0.004 17606 1801 1 5 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.072 0.163 17606 1802 1 5 . 1 1 35 35 ASP CB C 35 43.419 43.419 42.958 0.461 17606 1803 1 5 . 1 1 35 35 ASP H H 35 8.948 8.948 9.174 -0.226 17606 1804 1 5 . 1 1 36 36 ASP N N 36 127.315 127.315 124.980 2.335 17606 1805 1 5 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.309 -0.046 17606 1806 1 5 . 1 1 36 36 ASP C C 36 175.993 175.993 176.109 -0.116 17606 1807 1 5 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.967 0.153 17606 1808 1 5 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.454 -0.795 17606 1809 1 5 . 1 1 36 36 ASP H H 36 9.065 9.065 8.972 0.093 17606 1810 1 5 . 1 1 37 37 GLY N N 37 103.112 103.112 104.735 -1.623 17606 1811 1 5 . 1 1 37 37 GLY C C 37 173.541 173.541 173.740 -0.199 17606 1812 1 5 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.023 0.448 17606 1813 1 5 . 1 1 37 37 GLY H H 37 8.045 8.045 8.278 -0.233 17606 1814 1 5 . 1 1 38 38 GLU N N 38 121.172 121.172 120.064 1.108 17606 1815 1 5 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.636 0.015 17606 1816 1 5 . 1 1 38 38 GLU C C 38 174.246 174.246 174.776 -0.530 17606 1817 1 5 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.740 -0.021 17606 1818 1 5 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.956 0.249 17606 1819 1 5 . 1 1 38 38 GLU H H 38 7.769 7.769 7.702 0.067 17606 1820 1 5 . 1 1 39 39 VAL N N 39 123.983 123.983 123.170 0.813 17606 1821 1 5 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.588 -0.378 17606 1822 1 5 . 1 1 39 39 VAL C C 39 174.546 174.546 174.294 0.252 17606 1823 1 5 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.633 1.408 17606 1824 1 5 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.869 -0.600 17606 1825 1 5 . 1 1 39 39 VAL H H 39 8.455 8.455 8.683 -0.228 17606 1826 1 5 . 1 1 40 40 LEU N N 40 127.105 127.105 128.947 -1.842 17606 1827 1 5 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.119 -0.027 17606 1828 1 5 . 1 1 40 40 LEU C C 40 175.819 175.819 175.456 0.363 17606 1829 1 5 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.525 -0.272 17606 1830 1 5 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.219 2.271 17606 1831 1 5 . 1 1 40 40 LEU H H 40 8.947 8.947 9.087 -0.140 17606 1832 1 5 . 1 1 41 41 TYR N N 41 119.021 119.021 120.143 -1.122 17606 1833 1 5 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.891 0.216 17606 1834 1 5 . 1 1 41 41 TYR C C 41 173.968 173.968 174.365 -0.397 17606 1835 1 5 . 1 1 41 41 TYR CA C 41 56.856 56.856 56.910 -0.054 17606 1836 1 5 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.131 0.011 17606 1837 1 5 . 1 1 41 41 TYR H H 41 9.337 9.337 9.532 -0.195 17606 1838 1 5 . 1 1 42 42 LEU N N 42 128.770 128.770 124.556 4.214 17606 1839 1 5 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.515 -0.542 17606 1840 1 5 . 1 1 42 42 LEU C C 42 175.491 175.491 174.658 0.833 17606 1841 1 5 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.978 0.389 17606 1842 1 5 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.062 -3.366 17606 1843 1 5 . 1 1 42 42 LEU H H 42 8.304 8.304 8.852 -0.548 17606 1844 1 5 . 1 1 43 43 VAL N N 43 121.269 121.269 121.392 -0.123 17606 1845 1 5 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.815 0.165 17606 1846 1 5 . 1 1 43 43 VAL C C 43 173.257 173.257 173.455 -0.198 17606 1847 1 5 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.887 -0.576 17606 1848 1 5 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.555 -0.501 17606 1849 1 5 . 1 1 43 43 VAL H H 43 8.847 8.847 8.914 -0.067 17606 1850 1 5 . 1 1 44 44 HIS N N 44 118.126 118.126 118.176 -0.050 17606 1851 1 5 . 1 1 44 44 HIS C C 44 174.272 174.272 173.928 0.344 17606 1852 1 5 . 1 1 44 44 HIS CA C 44 53.319 53.319 51.571 1.748 17606 1853 1 5 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.267 -1.251 17606 1854 1 5 . 1 1 44 44 HIS H H 44 8.286 8.286 8.723 -0.438 17606 1855 1 5 . 1 1 45 45 TYR N N 45 127.711 127.711 122.290 5.421 17606 1856 1 5 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.696 -0.597 17606 1857 1 5 . 1 1 45 45 TYR C C 45 175.343 175.343 176.499 -1.156 17606 1858 1 5 . 1 1 45 45 TYR CA C 45 58.240 58.240 56.986 1.254 17606 1859 1 5 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.749 -0.249 17606 1860 1 5 . 1 1 45 45 TYR H H 45 8.013 8.013 7.945 0.068 17606 1861 1 5 . 1 1 46 46 TYR N N 46 121.373 121.373 121.523 -0.150 17606 1862 1 5 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.501 -0.287 17606 1863 1 5 . 1 1 46 46 TYR CA C 46 58.945 58.945 56.844 2.101 17606 1864 1 5 . 1 1 46 46 TYR CB C 46 38.400 38.400 38.761 -0.361 17606 1865 1 5 . 1 1 46 46 TYR H H 46 7.842 7.842 8.231 -0.389 17606 1866 1 5 . 1 1 47 47 GLY CA C 47 45.147 45.147 46.166 -1.019 17606 1867 1 5 . 1 1 48 48 TRP N N 48 121.413 121.413 126.208 -4.795 17606 1868 1 5 . 1 1 48 48 TRP CA C 48 55.966 55.966 57.213 -1.247 17606 1869 1 5 . 1 1 48 48 TRP CB C 48 30.399 30.399 29.566 0.833 17606 1870 1 5 . 1 1 48 48 TRP H H 48 8.105 8.105 8.136 -0.031 17606 1871 1 5 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.765 0.409 17606 1872 1 5 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.220 -1.337 17606 1873 1 5 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.050 0.174 17606 1874 1 5 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.133 -0.015 17606 1875 1 5 . 1 1 51 51 ARG C C 51 176.010 176.010 177.635 -1.625 17606 1876 1 5 . 1 1 51 51 ARG CA C 51 57.004 57.004 57.986 -0.982 17606 1877 1 5 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.067 -0.133 17606 1878 1 5 . 1 1 52 52 TYR N N 52 119.263 119.263 116.494 2.769 17606 1879 1 5 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.105 0.531 17606 1880 1 5 . 1 1 52 52 TYR CA C 52 58.000 58.000 61.565 -3.565 17606 1881 1 5 . 1 1 52 52 TYR CB C 52 38.804 38.804 37.244 1.560 17606 1882 1 5 . 1 1 52 52 TYR H H 52 7.860 7.860 9.056 -1.196 17606 1883 1 5 . 1 1 53 53 ASP N N 53 122.103 122.103 121.233 0.870 17606 1884 1 5 . 1 1 53 53 ASP HA H 53 4.977 4.977 5.112 -0.135 17606 1885 1 5 . 1 1 53 53 ASP CA C 53 55.272 55.272 54.580 0.693 17606 1886 1 5 . 1 1 53 53 ASP CB C 53 40.304 40.304 42.431 -2.127 17606 1887 1 5 . 1 1 53 53 ASP H H 53 8.014 8.014 8.328 -0.314 17606 1888 1 5 . 1 1 54 54 GLU N N 54 119.733 119.733 122.691 -2.958 17606 1889 1 5 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.638 0.135 17606 1890 1 5 . 1 1 54 54 GLU C C 54 174.099 174.099 173.988 0.111 17606 1891 1 5 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.897 -0.019 17606 1892 1 5 . 1 1 54 54 GLU CB C 54 34.131 34.131 34.065 0.066 17606 1893 1 5 . 1 1 54 54 GLU H H 54 8.018 8.018 8.515 -0.497 17606 1894 1 5 . 1 1 55 55 TRP N N 55 124.675 124.675 123.085 1.590 17606 1895 1 5 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.672 -0.428 17606 1896 1 5 . 1 1 55 55 TRP C C 55 177.088 177.088 176.544 0.544 17606 1897 1 5 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.520 -0.131 17606 1898 1 5 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.927 -1.514 17606 1899 1 5 . 1 1 55 55 TRP H H 55 8.760 8.760 8.575 0.185 17606 1900 1 5 . 1 1 56 56 VAL N N 56 119.873 119.873 118.477 1.396 17606 1901 1 5 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.575 0.349 17606 1902 1 5 . 1 1 56 56 VAL C C 56 174.866 174.866 173.601 1.265 17606 1903 1 5 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.873 0.095 17606 1904 1 5 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.110 0.751 17606 1905 1 5 . 1 1 56 56 VAL H H 56 10.006 10.006 9.027 0.979 17606 1906 1 5 . 1 1 57 57 LYS N N 57 120.466 120.466 123.276 -2.810 17606 1907 1 5 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.845 0.020 17606 1908 1 5 . 1 1 57 57 LYS C C 57 178.120 178.120 177.790 0.330 17606 1909 1 5 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.340 1.101 17606 1910 1 5 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.588 -0.404 17606 1911 1 5 . 1 1 57 57 LYS H H 57 8.361 8.361 8.271 0.090 17606 1912 1 5 . 1 1 58 58 ALA N N 58 120.318 120.318 126.557 -6.239 17606 1913 1 5 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.128 0.026 17606 1914 1 5 . 1 1 58 58 ALA C C 58 179.508 179.508 179.312 0.196 17606 1915 1 5 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.416 0.273 17606 1916 1 5 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.877 0.597 17606 1917 1 5 . 1 1 58 58 ALA H H 58 9.064 9.064 8.717 0.347 17606 1918 1 5 . 1 1 59 59 ASP N N 59 113.824 113.824 116.230 -2.406 17606 1919 1 5 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.540 -0.003 17606 1920 1 5 . 1 1 59 59 ASP C C 59 177.499 177.499 177.193 0.306 17606 1921 1 5 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.022 -0.369 17606 1922 1 5 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.662 -0.928 17606 1923 1 5 . 1 1 59 59 ASP H H 59 8.256 8.256 8.558 -0.302 17606 1924 1 5 . 1 1 60 60 ARG N N 60 118.041 118.041 118.231 -0.190 17606 1925 1 5 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.561 -0.270 17606 1926 1 5 . 1 1 60 60 ARG C C 60 174.918 174.918 174.827 0.091 17606 1927 1 5 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.975 0.169 17606 1928 1 5 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.511 -0.502 17606 1929 1 5 . 1 1 60 60 ARG H H 60 7.931 7.931 7.765 0.166 17606 1930 1 5 . 1 1 61 61 ILE N N 61 118.787 118.787 120.449 -1.662 17606 1931 1 5 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.616 -0.499 17606 1932 1 5 . 1 1 61 61 ILE C C 61 175.243 175.243 175.483 -0.240 17606 1933 1 5 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.916 0.497 17606 1934 1 5 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.103 -1.675 17606 1935 1 5 . 1 1 61 61 ILE H H 61 7.463 7.463 7.425 0.038 17606 1936 1 5 . 1 1 62 62 ILE N N 62 127.975 127.975 126.394 1.581 17606 1937 1 5 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.389 -0.233 17606 1938 1 5 . 1 1 62 62 ILE C C 62 175.867 175.867 174.909 0.958 17606 1939 1 5 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.945 0.491 17606 1940 1 5 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.015 0.304 17606 1941 1 5 . 1 1 62 62 ILE H H 62 8.773 8.773 8.908 -0.135 17606 1942 1 5 . 1 1 63 63 TRP N N 63 131.233 131.233 130.165 1.068 17606 1943 1 5 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.808 -0.246 17606 1944 1 5 . 1 1 63 63 TRP C C 63 174.859 174.859 174.585 0.274 17606 1945 1 5 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.736 -0.195 17606 1946 1 5 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.402 -0.743 17606 1947 1 5 . 1 1 63 63 TRP H H 63 8.506 8.506 8.433 0.073 17606 1948 1 5 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.470 0.079 17606 1949 1 5 . 1 1 64 64 PRO C C 64 176.966 176.966 175.709 1.257 17606 1950 1 5 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.619 -0.488 17606 1951 1 5 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.827 0.198 17606 1952 1 5 . 1 1 65 65 LEU N N 65 121.886 121.886 127.624 -5.738 17606 1953 1 5 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.359 -0.026 17606 1954 1 5 . 1 1 65 65 LEU C C 65 177.243 177.243 176.826 0.417 17606 1955 1 5 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.594 -0.102 17606 1956 1 5 . 1 1 65 65 LEU CB C 65 42.370 42.370 42.646 -0.276 17606 1957 1 5 . 1 1 65 65 LEU H H 65 8.426 8.426 7.982 0.444 17606 1958 1 5 . 1 1 66 66 ASP N N 66 120.509 120.509 122.669 -2.160 17606 1959 1 5 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.367 0.211 17606 1960 1 5 . 1 1 66 66 ASP C C 66 176.402 176.402 175.538 0.864 17606 1961 1 5 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.946 -1.697 17606 1962 1 5 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.912 0.244 17606 1963 1 5 . 1 1 66 66 ASP H H 66 8.348 8.348 8.921 -0.573 17606 1964 1 5 . 1 1 67 67 LYS N N 67 121.925 121.925 118.319 3.606 17606 1965 1 5 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.097 0.181 17606 1966 1 5 . 1 1 67 67 LYS C C 67 177.158 177.158 175.692 1.466 17606 1967 1 5 . 1 1 67 67 LYS CA C 67 56.599 56.599 57.024 -0.425 17606 1968 1 5 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.962 -0.209 17606 1969 1 5 . 1 1 67 67 LYS H H 67 8.327 8.327 8.287 0.040 17606 1970 1 5 . 1 1 68 68 GLY N N 68 109.417 109.417 109.465 -0.048 17606 1971 1 5 . 1 1 68 68 GLY C C 68 174.413 174.413 174.421 -0.008 17606 1972 1 5 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.049 0.574 17606 1973 1 5 . 1 1 68 68 GLY H H 68 8.558 8.558 8.423 0.135 17606 1974 1 5 . 1 1 69 69 LEU N N 69 120.937 120.937 118.634 2.303 17606 1975 1 5 . 1 1 69 69 LEU HA H 69 4.255 4.255 3.913 0.342 17606 1976 1 5 . 1 1 69 69 LEU C C 69 177.559 177.559 175.260 2.299 17606 1977 1 5 . 1 1 69 69 LEU CA C 69 55.326 55.326 56.306 -0.980 17606 1978 1 5 . 1 1 69 69 LEU CB C 69 42.169 42.169 40.890 1.279 17606 1979 1 5 . 1 1 69 69 LEU H H 69 7.972 7.972 8.317 -0.345 17606 1980 1 5 . 1 1 70 70 GLU N N 70 120.764 120.764 120.367 0.397 17606 1981 1 5 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.520 -0.394 17606 1982 1 5 . 1 1 70 70 GLU C C 70 176.435 176.435 174.705 1.730 17606 1983 1 5 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.327 0.823 17606 1984 1 5 . 1 1 70 70 GLU CB C 70 29.859 29.859 31.605 -1.746 17606 1985 1 5 . 1 1 70 70 GLU H H 70 8.443 8.443 7.867 0.576 17606 1986 1 5 . 1 1 71 71 HIS N N 71 119.554 119.554 125.059 -5.505 17606 1987 1 5 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.866 -0.268 17606 1988 1 5 . 1 1 71 71 HIS C C 71 174.001 174.001 176.237 -2.236 17606 1989 1 5 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.827 0.251 17606 1990 1 5 . 1 1 71 71 HIS CB C 71 30.551 30.551 30.589 -0.038 17606 1991 1 5 . 1 1 71 71 HIS H H 71 8.223 8.223 8.946 -0.723 17606 1992 1 5 . 1 1 72 72 HIS N N 72 125.509 125.509 122.322 3.187 17606 1993 1 5 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.332 0.082 17606 1994 1 5 . 1 1 72 72 HIS C C 72 179.225 179.225 174.831 4.394 17606 1995 1 5 . 1 1 72 72 HIS CA C 72 57.363 57.363 58.159 -0.796 17606 1996 1 5 . 1 1 72 72 HIS CB C 72 30.450 30.450 29.814 0.636 17606 1997 1 5 . 1 1 72 72 HIS H H 72 8.101 8.101 9.345 -1.244 17606 1998 1 5 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.460 0.084 17606 1999 1 5 . 1 1 73 73 HIS CA C 73 56.078 56.078 56.564 -0.486 17606 2000 1 5 . 1 1 73 73 HIS CB C 73 30.551 30.551 30.527 0.024 17606 2001 1 5 . 1 1 74 74 HIS N N 74 120.202 120.202 119.866 0.336 17606 2002 1 5 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.482 -0.280 17606 2003 1 5 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.267 0.768 17606 2004 1 5 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.511 -0.279 17606 2005 1 5 . 1 1 74 74 HIS H H 74 8.189 8.189 7.436 0.753 17606 2006 1 5 . 1 1 75 75 HIS N N 75 120.367 120.367 125.140 -4.773 17606 2007 1 5 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.243 0.180 17606 2008 1 5 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.740 -1.225 17606 2009 1 5 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.160 3.108 17606 2010 1 5 . 1 1 75 75 HIS H H 75 8.258 8.258 8.295 -0.037 17606 2011 1 6 . 1 1 2 2 ASP N N 2 121.539 121.539 122.510 -0.971 17606 2012 1 6 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.852 -0.297 17606 2013 1 6 . 1 1 2 2 ASP C C 2 176.030 176.030 175.212 0.818 17606 2014 1 6 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.480 0.073 17606 2015 1 6 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.046 0.258 17606 2016 1 6 . 1 1 2 2 ASP H H 2 8.515 8.515 8.448 0.067 17606 2017 1 6 . 1 1 3 3 MET N N 3 120.469 120.469 121.943 -1.474 17606 2018 1 6 . 1 1 3 3 MET HA H 3 4.472 4.472 4.759 -0.287 17606 2019 1 6 . 1 1 3 3 MET C C 3 176.040 176.040 175.119 0.921 17606 2020 1 6 . 1 1 3 3 MET CA C 3 55.373 55.373 55.791 -0.418 17606 2021 1 6 . 1 1 3 3 MET CB C 3 33.196 33.196 33.744 -0.548 17606 2022 1 6 . 1 1 3 3 MET H H 3 8.340 8.340 8.320 0.020 17606 2023 1 6 . 1 1 4 4 GLU N N 4 123.512 123.512 128.025 -4.513 17606 2024 1 6 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.744 -0.206 17606 2025 1 6 . 1 1 4 4 GLU C C 4 174.592 174.592 175.338 -0.746 17606 2026 1 6 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.461 1.093 17606 2027 1 6 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.633 -0.987 17606 2028 1 6 . 1 1 4 4 GLU H H 4 8.424 8.424 8.501 -0.077 17606 2029 1 6 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.221 0.181 17606 2030 1 6 . 1 1 5 5 PRO C C 5 176.669 176.669 176.249 0.420 17606 2031 1 6 . 1 1 5 5 PRO CA C 5 63.491 63.491 64.473 -0.982 17606 2032 1 6 . 1 1 5 5 PRO CB C 5 32.002 32.002 32.243 -0.241 17606 2033 1 6 . 1 1 6 6 CYS N N 6 119.970 119.970 115.331 4.639 17606 2034 1 6 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.523 -0.001 17606 2035 1 6 . 1 1 6 6 CYS C C 6 175.020 175.020 173.056 1.964 17606 2036 1 6 . 1 1 6 6 CYS CA C 6 58.662 58.662 58.507 0.155 17606 2037 1 6 . 1 1 6 6 CYS CB C 6 27.638 27.638 28.822 -1.184 17606 2038 1 6 . 1 1 6 6 CYS H H 6 8.539 8.539 8.263 0.276 17606 2039 1 6 . 1 1 7 7 LEU N N 7 125.146 125.146 121.316 3.830 17606 2040 1 6 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.144 0.289 17606 2041 1 6 . 1 1 7 7 LEU C C 7 178.244 178.244 176.022 2.222 17606 2042 1 6 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.257 -0.896 17606 2043 1 6 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.728 1.959 17606 2044 1 6 . 1 1 7 7 LEU H H 7 8.649 8.649 8.763 -0.114 17606 2045 1 6 . 1 1 8 8 THR N N 8 116.760 116.760 109.470 7.290 17606 2046 1 6 . 1 1 8 8 THR HA H 8 3.966 3.966 4.359 -0.393 17606 2047 1 6 . 1 1 8 8 THR C C 8 175.108 175.108 176.463 -1.355 17606 2048 1 6 . 1 1 8 8 THR CA C 8 64.244 64.244 62.661 1.583 17606 2049 1 6 . 1 1 8 8 THR CB C 8 69.071 69.071 69.417 -0.346 17606 2050 1 6 . 1 1 8 8 THR H H 8 8.124 8.124 7.610 0.514 17606 2051 1 6 . 1 1 9 9 GLY N N 9 113.810 113.810 114.351 -0.541 17606 2052 1 6 . 1 1 9 9 GLY C C 9 174.510 174.510 174.555 -0.045 17606 2053 1 6 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.118 -0.106 17606 2054 1 6 . 1 1 9 9 GLY H H 9 9.095 9.095 8.161 0.934 17606 2055 1 6 . 1 1 10 10 THR N N 10 116.938 116.938 119.945 -3.007 17606 2056 1 6 . 1 1 10 10 THR HA H 10 4.179 4.179 4.202 -0.023 17606 2057 1 6 . 1 1 10 10 THR C C 10 173.450 173.450 173.545 -0.095 17606 2058 1 6 . 1 1 10 10 THR CA C 10 64.192 64.192 63.992 0.200 17606 2059 1 6 . 1 1 10 10 THR CB C 10 70.093 70.093 69.351 0.742 17606 2060 1 6 . 1 1 10 10 THR H H 10 8.002 8.002 7.604 0.398 17606 2061 1 6 . 1 1 11 11 LYS N N 11 127.263 127.263 126.907 0.356 17606 2062 1 6 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.705 0.121 17606 2063 1 6 . 1 1 11 11 LYS C C 11 176.157 176.157 176.030 0.127 17606 2064 1 6 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.166 1.575 17606 2065 1 6 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.459 -0.904 17606 2066 1 6 . 1 1 11 11 LYS H H 11 8.514 8.514 8.170 0.344 17606 2067 1 6 . 1 1 12 12 VAL N N 12 116.892 116.892 117.126 -0.234 17606 2068 1 6 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.354 0.236 17606 2069 1 6 . 1 1 12 12 VAL C C 12 174.476 174.476 173.620 0.856 17606 2070 1 6 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.899 0.313 17606 2071 1 6 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.679 0.865 17606 2072 1 6 . 1 1 12 12 VAL H H 12 8.738 8.738 8.699 0.039 17606 2073 1 6 . 1 1 13 13 LYS N N 13 118.427 118.427 120.506 -2.079 17606 2074 1 6 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.025 0.098 17606 2075 1 6 . 1 1 13 13 LYS C C 13 174.853 174.853 174.758 0.095 17606 2076 1 6 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.858 0.125 17606 2077 1 6 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.831 -0.045 17606 2078 1 6 . 1 1 13 13 LYS H H 13 7.677 7.677 7.686 -0.009 17606 2079 1 6 . 1 1 14 14 VAL N N 14 120.913 120.913 124.857 -3.944 17606 2080 1 6 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.979 -0.153 17606 2081 1 6 . 1 1 14 14 VAL C C 14 175.645 175.645 174.391 1.254 17606 2082 1 6 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.159 0.232 17606 2083 1 6 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.664 1.363 17606 2084 1 6 . 1 1 14 14 VAL H H 14 9.178 9.178 9.387 -0.209 17606 2085 1 6 . 1 1 15 15 LYS N N 15 125.862 125.862 127.411 -1.549 17606 2086 1 6 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.544 0.038 17606 2087 1 6 . 1 1 15 15 LYS C C 15 175.430 175.430 174.476 0.954 17606 2088 1 6 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.018 1.673 17606 2089 1 6 . 1 1 15 15 LYS CB C 15 33.764 33.764 33.925 -0.161 17606 2090 1 6 . 1 1 15 15 LYS H H 15 9.010 9.010 8.976 0.034 17606 2091 1 6 . 1 1 16 16 TYR N N 16 127.499 127.499 127.927 -0.428 17606 2092 1 6 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.723 -0.085 17606 2093 1 6 . 1 1 16 16 TYR C C 16 175.096 175.096 173.667 1.429 17606 2094 1 6 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.358 0.990 17606 2095 1 6 . 1 1 16 16 TYR CB C 16 42.493 42.493 40.924 1.569 17606 2096 1 6 . 1 1 16 16 TYR H H 16 9.305 9.305 8.228 1.077 17606 2097 1 6 . 1 1 17 17 GLY N N 17 115.501 115.501 114.457 1.044 17606 2098 1 6 . 1 1 17 17 GLY C C 17 173.380 173.380 172.505 0.875 17606 2099 1 6 . 1 1 17 17 GLY CA C 17 44.216 44.216 44.396 -0.180 17606 2100 1 6 . 1 1 17 17 GLY H H 17 8.383 8.383 8.455 -0.072 17606 2101 1 6 . 1 1 18 18 ARG N N 18 117.847 117.847 122.967 -5.120 17606 2102 1 6 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.556 0.049 17606 2103 1 6 . 1 1 18 18 ARG C C 18 175.941 175.941 176.063 -0.122 17606 2104 1 6 . 1 1 18 18 ARG CA C 18 55.340 55.340 55.164 0.176 17606 2105 1 6 . 1 1 18 18 ARG CB C 18 33.186 33.186 33.108 0.078 17606 2106 1 6 . 1 1 18 18 ARG H H 18 8.305 8.305 8.068 0.237 17606 2107 1 6 . 1 1 19 19 GLY N N 19 110.572 110.572 110.032 0.540 17606 2108 1 6 . 1 1 19 19 GLY C C 19 176.227 176.227 175.158 1.069 17606 2109 1 6 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.850 -0.960 17606 2110 1 6 . 1 1 19 19 GLY H H 19 8.857 8.857 8.496 0.361 17606 2111 1 6 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.355 -0.171 17606 2112 1 6 . 1 1 20 20 LYS C C 20 177.694 177.694 177.475 0.219 17606 2113 1 6 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.324 1.056 17606 2114 1 6 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.462 0.031 17606 2115 1 6 . 1 1 20 20 LYS H H 20 6.723 6.723 7.900 -1.177 17606 2116 1 6 . 1 1 21 21 THR N N 21 108.329 108.329 117.408 -9.079 17606 2117 1 6 . 1 1 21 21 THR HA H 21 4.437 4.437 4.312 0.125 17606 2118 1 6 . 1 1 21 21 THR C C 21 173.999 173.999 173.466 0.533 17606 2119 1 6 . 1 1 21 21 THR CA C 21 60.895 60.895 62.837 -1.942 17606 2120 1 6 . 1 1 21 21 THR CB C 21 68.907 68.907 67.016 1.891 17606 2121 1 6 . 1 1 21 21 THR H H 21 7.839 7.839 8.052 -0.213 17606 2122 1 6 . 1 1 22 22 GLN N N 22 123.126 123.126 124.875 -1.749 17606 2123 1 6 . 1 1 22 22 GLN HA H 22 4.430 4.430 5.380 -0.950 17606 2124 1 6 . 1 1 22 22 GLN C C 22 175.190 175.190 174.461 0.729 17606 2125 1 6 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.172 2.623 17606 2126 1 6 . 1 1 22 22 GLN CB C 22 31.031 31.031 30.921 0.110 17606 2127 1 6 . 1 1 22 22 GLN H H 22 7.503 7.503 8.130 -0.627 17606 2128 1 6 . 1 1 23 23 LYS N N 23 126.763 126.763 125.181 1.582 17606 2129 1 6 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.508 0.029 17606 2130 1 6 . 1 1 23 23 LYS C C 23 174.087 174.087 173.632 0.455 17606 2131 1 6 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.584 -0.140 17606 2132 1 6 . 1 1 23 23 LYS CB C 23 36.495 36.495 34.950 1.545 17606 2133 1 6 . 1 1 23 23 LYS H H 23 8.937 8.937 8.670 0.267 17606 2134 1 6 . 1 1 24 24 ILE N N 24 120.287 120.287 123.224 -2.937 17606 2135 1 6 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.983 -0.233 17606 2136 1 6 . 1 1 24 24 ILE C C 24 175.772 175.772 175.704 0.068 17606 2137 1 6 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.772 0.148 17606 2138 1 6 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.482 -0.228 17606 2139 1 6 . 1 1 24 24 ILE H H 24 7.980 7.980 8.367 -0.387 17606 2140 1 6 . 1 1 25 25 TYR N N 25 126.020 126.020 124.739 1.281 17606 2141 1 6 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.017 0.054 17606 2142 1 6 . 1 1 25 25 TYR C C 25 175.859 175.859 173.549 2.310 17606 2143 1 6 . 1 1 25 25 TYR CA C 25 55.860 55.860 54.536 1.324 17606 2144 1 6 . 1 1 25 25 TYR CB C 25 42.467 42.467 39.801 2.666 17606 2145 1 6 . 1 1 25 25 TYR H H 25 8.885 8.885 9.075 -0.190 17606 2146 1 6 . 1 1 26 26 GLU N N 26 121.186 121.186 120.081 1.105 17606 2147 1 6 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.231 -0.589 17606 2148 1 6 . 1 1 26 26 GLU C C 26 176.001 176.001 175.421 0.580 17606 2149 1 6 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.035 2.093 17606 2150 1 6 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.936 -1.213 17606 2151 1 6 . 1 1 26 26 GLU H H 26 8.915 8.915 8.821 0.094 17606 2152 1 6 . 1 1 27 27 ALA N N 27 125.281 125.281 127.248 -1.967 17606 2153 1 6 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.704 0.266 17606 2154 1 6 . 1 1 27 27 ALA C C 27 175.178 175.178 175.043 0.135 17606 2155 1 6 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.187 1.128 17606 2156 1 6 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.836 1.819 17606 2157 1 6 . 1 1 27 27 ALA H H 27 8.834 8.834 9.013 -0.179 17606 2158 1 6 . 1 1 28 28 SER N N 28 112.133 112.133 114.597 -2.464 17606 2159 1 6 . 1 1 28 28 SER HA H 28 5.328 5.328 4.974 0.354 17606 2160 1 6 . 1 1 28 28 SER C C 28 174.404 174.404 173.853 0.551 17606 2161 1 6 . 1 1 28 28 SER CA C 28 56.133 56.133 56.402 -0.269 17606 2162 1 6 . 1 1 28 28 SER CB C 28 66.075 66.075 64.284 1.791 17606 2163 1 6 . 1 1 28 28 SER H H 28 8.529 8.529 8.474 0.055 17606 2164 1 6 . 1 1 29 29 ILE N N 29 122.044 122.044 124.637 -2.593 17606 2165 1 6 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.852 0.290 17606 2166 1 6 . 1 1 29 29 ILE C C 29 176.473 176.473 175.630 0.843 17606 2167 1 6 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.354 1.207 17606 2168 1 6 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.429 1.595 17606 2169 1 6 . 1 1 29 29 ILE H H 29 8.431 8.431 8.545 -0.114 17606 2170 1 6 . 1 1 30 30 LYS N N 30 128.795 128.795 127.990 0.805 17606 2171 1 6 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.489 -0.079 17606 2172 1 6 . 1 1 30 30 LYS C C 30 176.559 176.559 176.214 0.345 17606 2173 1 6 . 1 1 30 30 LYS CA C 30 57.009 57.009 55.764 1.246 17606 2174 1 6 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.353 -0.472 17606 2175 1 6 . 1 1 30 30 LYS H H 30 9.687 9.687 8.810 0.877 17606 2176 1 6 . 1 1 31 31 SER N N 31 111.044 111.044 112.399 -1.355 17606 2177 1 6 . 1 1 31 31 SER HA H 31 4.671 4.671 4.782 -0.111 17606 2178 1 6 . 1 1 31 31 SER C C 31 172.457 172.457 172.183 0.274 17606 2179 1 6 . 1 1 31 31 SER CA C 31 57.353 57.353 57.604 -0.251 17606 2180 1 6 . 1 1 31 31 SER CB C 31 64.824 64.824 66.480 -1.656 17606 2181 1 6 . 1 1 31 31 SER H H 31 7.537 7.537 7.625 -0.088 17606 2182 1 6 . 1 1 32 32 THR N N 32 113.911 113.911 116.358 -2.447 17606 2183 1 6 . 1 1 32 32 THR HA H 32 5.564 5.564 5.108 0.456 17606 2184 1 6 . 1 1 32 32 THR C C 32 173.003 173.003 173.436 -0.433 17606 2185 1 6 . 1 1 32 32 THR CA C 32 60.589 60.589 60.939 -0.350 17606 2186 1 6 . 1 1 32 32 THR CB C 32 72.217 72.217 71.403 0.815 17606 2187 1 6 . 1 1 32 32 THR H H 32 8.237 8.237 8.396 -0.159 17606 2188 1 6 . 1 1 33 33 GLU N N 33 123.514 123.514 121.294 2.220 17606 2189 1 6 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.687 -0.059 17606 2190 1 6 . 1 1 33 33 GLU C C 33 173.487 173.487 174.652 -1.165 17606 2191 1 6 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.159 0.297 17606 2192 1 6 . 1 1 33 33 GLU CB C 33 34.099 34.099 33.387 0.712 17606 2193 1 6 . 1 1 33 33 GLU H H 33 8.970 8.970 9.256 -0.286 17606 2194 1 6 . 1 1 34 34 ILE N N 34 122.095 122.095 121.184 0.911 17606 2195 1 6 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.965 -0.231 17606 2196 1 6 . 1 1 34 34 ILE C C 34 175.620 175.620 175.170 0.450 17606 2197 1 6 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.205 -0.158 17606 2198 1 6 . 1 1 34 34 ILE CB C 34 38.657 38.657 38.530 0.127 17606 2199 1 6 . 1 1 34 34 ILE H H 34 8.505 8.505 8.538 -0.033 17606 2200 1 6 . 1 1 35 35 ASP N N 35 127.840 127.840 128.259 -0.419 17606 2201 1 6 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.809 -0.036 17606 2202 1 6 . 1 1 35 35 ASP C C 35 175.804 175.804 175.809 -0.005 17606 2203 1 6 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.252 -0.017 17606 2204 1 6 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.467 -1.048 17606 2205 1 6 . 1 1 35 35 ASP H H 35 8.948 8.948 8.869 0.079 17606 2206 1 6 . 1 1 36 36 ASP N N 36 127.315 127.315 125.245 2.070 17606 2207 1 6 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.335 -0.072 17606 2208 1 6 . 1 1 36 36 ASP C C 36 175.993 175.993 176.286 -0.293 17606 2209 1 6 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.499 0.621 17606 2210 1 6 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.531 -0.872 17606 2211 1 6 . 1 1 36 36 ASP H H 36 9.065 9.065 8.751 0.314 17606 2212 1 6 . 1 1 37 37 GLY N N 37 103.112 103.112 103.773 -0.661 17606 2213 1 6 . 1 1 37 37 GLY C C 37 173.541 173.541 173.842 -0.301 17606 2214 1 6 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.100 0.371 17606 2215 1 6 . 1 1 37 37 GLY H H 37 8.045 8.045 8.466 -0.421 17606 2216 1 6 . 1 1 38 38 GLU N N 38 121.172 121.172 120.105 1.067 17606 2217 1 6 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.668 -0.017 17606 2218 1 6 . 1 1 38 38 GLU C C 38 174.246 174.246 175.015 -0.769 17606 2219 1 6 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.047 0.672 17606 2220 1 6 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.273 -0.068 17606 2221 1 6 . 1 1 38 38 GLU H H 38 7.769 7.769 7.784 -0.015 17606 2222 1 6 . 1 1 39 39 VAL N N 39 123.983 123.983 120.689 3.294 17606 2223 1 6 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.523 -0.313 17606 2224 1 6 . 1 1 39 39 VAL C C 39 174.546 174.546 174.968 -0.422 17606 2225 1 6 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.948 1.093 17606 2226 1 6 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.002 0.267 17606 2227 1 6 . 1 1 39 39 VAL H H 39 8.455 8.455 8.674 -0.219 17606 2228 1 6 . 1 1 40 40 LEU N N 40 127.105 127.105 127.293 -0.188 17606 2229 1 6 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.300 -0.208 17606 2230 1 6 . 1 1 40 40 LEU C C 40 175.819 175.819 176.016 -0.197 17606 2231 1 6 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.562 -0.309 17606 2232 1 6 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.357 2.133 17606 2233 1 6 . 1 1 40 40 LEU H H 40 8.947 8.947 9.126 -0.179 17606 2234 1 6 . 1 1 41 41 TYR N N 41 119.021 119.021 121.194 -2.173 17606 2235 1 6 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.022 0.085 17606 2236 1 6 . 1 1 41 41 TYR C C 41 173.968 173.968 174.563 -0.595 17606 2237 1 6 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.143 -0.287 17606 2238 1 6 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.289 -0.147 17606 2239 1 6 . 1 1 41 41 TYR H H 41 9.337 9.337 9.692 -0.355 17606 2240 1 6 . 1 1 42 42 LEU N N 42 128.770 128.770 125.311 3.459 17606 2241 1 6 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.301 -0.328 17606 2242 1 6 . 1 1 42 42 LEU C C 42 175.491 175.491 174.646 0.845 17606 2243 1 6 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.969 0.398 17606 2244 1 6 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.788 -3.092 17606 2245 1 6 . 1 1 42 42 LEU H H 42 8.304 8.304 8.871 -0.567 17606 2246 1 6 . 1 1 43 43 VAL N N 43 121.269 121.269 121.762 -0.493 17606 2247 1 6 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.921 0.059 17606 2248 1 6 . 1 1 43 43 VAL C C 43 173.257 173.257 173.242 0.015 17606 2249 1 6 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.803 -0.492 17606 2250 1 6 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.124 -1.070 17606 2251 1 6 . 1 1 43 43 VAL H H 43 8.847 8.847 8.581 0.266 17606 2252 1 6 . 1 1 44 44 HIS N N 44 118.126 118.126 122.968 -4.842 17606 2253 1 6 . 1 1 44 44 HIS C C 44 174.272 174.272 173.355 0.917 17606 2254 1 6 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.766 0.553 17606 2255 1 6 . 1 1 44 44 HIS CB C 44 31.016 31.016 33.234 -2.218 17606 2256 1 6 . 1 1 44 44 HIS H H 44 8.286 8.286 8.164 0.122 17606 2257 1 6 . 1 1 45 45 TYR N N 45 127.711 127.711 127.619 0.092 17606 2258 1 6 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.264 -0.165 17606 2259 1 6 . 1 1 45 45 TYR C C 45 175.343 175.343 175.016 0.327 17606 2260 1 6 . 1 1 45 45 TYR CA C 45 58.240 58.240 58.733 -0.493 17606 2261 1 6 . 1 1 45 45 TYR CB C 45 37.500 37.500 36.604 0.896 17606 2262 1 6 . 1 1 45 45 TYR H H 45 8.013 8.013 8.460 -0.447 17606 2263 1 6 . 1 1 46 46 TYR N N 46 121.373 121.373 119.583 1.790 17606 2264 1 6 . 1 1 46 46 TYR HA H 46 4.214 4.214 3.884 0.330 17606 2265 1 6 . 1 1 46 46 TYR CA C 46 58.945 58.945 58.433 0.512 17606 2266 1 6 . 1 1 46 46 TYR CB C 46 38.400 38.400 36.277 2.123 17606 2267 1 6 . 1 1 46 46 TYR H H 46 7.842 7.842 7.762 0.080 17606 2268 1 6 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.357 0.790 17606 2269 1 6 . 1 1 48 48 TRP N N 48 121.413 121.413 118.404 3.009 17606 2270 1 6 . 1 1 48 48 TRP CA C 48 55.966 55.966 55.720 0.246 17606 2271 1 6 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.948 -0.549 17606 2272 1 6 . 1 1 48 48 TRP H H 48 8.105 8.105 8.436 -0.331 17606 2273 1 6 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.230 -0.056 17606 2274 1 6 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.987 -1.104 17606 2275 1 6 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.049 0.175 17606 2276 1 6 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.120 -0.002 17606 2277 1 6 . 1 1 51 51 ARG C C 51 176.010 176.010 176.388 -0.378 17606 2278 1 6 . 1 1 51 51 ARG CA C 51 57.004 57.004 57.403 -0.399 17606 2279 1 6 . 1 1 51 51 ARG CB C 51 29.934 29.934 31.425 -1.491 17606 2280 1 6 . 1 1 52 52 TYR N N 52 119.263 119.263 115.135 4.128 17606 2281 1 6 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.574 0.062 17606 2282 1 6 . 1 1 52 52 TYR CA C 52 58.000 58.000 58.652 -0.652 17606 2283 1 6 . 1 1 52 52 TYR CB C 52 38.804 38.804 40.205 -1.401 17606 2284 1 6 . 1 1 52 52 TYR H H 52 7.860 7.860 7.709 0.151 17606 2285 1 6 . 1 1 53 53 ASP N N 53 122.103 122.103 117.042 5.061 17606 2286 1 6 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.323 0.654 17606 2287 1 6 . 1 1 53 53 ASP CA C 53 55.272 55.272 55.653 -0.381 17606 2288 1 6 . 1 1 53 53 ASP CB C 53 40.304 40.304 40.760 -0.456 17606 2289 1 6 . 1 1 53 53 ASP H H 53 8.014 8.014 8.009 0.005 17606 2290 1 6 . 1 1 54 54 GLU N N 54 119.733 119.733 119.528 0.205 17606 2291 1 6 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.823 -0.050 17606 2292 1 6 . 1 1 54 54 GLU C C 54 174.099 174.099 174.922 -0.823 17606 2293 1 6 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.782 0.096 17606 2294 1 6 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.480 0.651 17606 2295 1 6 . 1 1 54 54 GLU H H 54 8.018 8.018 7.977 0.041 17606 2296 1 6 . 1 1 55 55 TRP N N 55 124.675 124.675 123.581 1.094 17606 2297 1 6 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.833 -0.589 17606 2298 1 6 . 1 1 55 55 TRP C C 55 177.088 177.088 176.927 0.161 17606 2299 1 6 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.240 0.149 17606 2300 1 6 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.528 -1.115 17606 2301 1 6 . 1 1 55 55 TRP H H 55 8.760 8.760 8.735 0.025 17606 2302 1 6 . 1 1 56 56 VAL N N 56 119.873 119.873 118.735 1.138 17606 2303 1 6 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.857 0.067 17606 2304 1 6 . 1 1 56 56 VAL C C 56 174.866 174.866 174.596 0.270 17606 2305 1 6 . 1 1 56 56 VAL CA C 56 58.968 58.968 59.438 -0.470 17606 2306 1 6 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.641 0.220 17606 2307 1 6 . 1 1 56 56 VAL H H 56 10.006 10.006 9.137 0.869 17606 2308 1 6 . 1 1 57 57 LYS N N 57 120.466 120.466 125.137 -4.671 17606 2309 1 6 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.970 -0.105 17606 2310 1 6 . 1 1 57 57 LYS C C 57 178.120 178.120 178.126 -0.006 17606 2311 1 6 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.182 0.259 17606 2312 1 6 . 1 1 57 57 LYS CB C 57 34.184 34.184 33.864 0.320 17606 2313 1 6 . 1 1 57 57 LYS H H 57 8.361 8.361 8.636 -0.275 17606 2314 1 6 . 1 1 58 58 ALA N N 58 120.318 120.318 126.242 -5.924 17606 2315 1 6 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.124 0.030 17606 2316 1 6 . 1 1 58 58 ALA C C 58 179.508 179.508 179.107 0.401 17606 2317 1 6 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.674 0.015 17606 2318 1 6 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.653 0.821 17606 2319 1 6 . 1 1 58 58 ALA H H 58 9.064 9.064 8.834 0.230 17606 2320 1 6 . 1 1 59 59 ASP N N 59 113.824 113.824 117.016 -3.192 17606 2321 1 6 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.468 0.069 17606 2322 1 6 . 1 1 59 59 ASP C C 59 177.499 177.499 177.292 0.207 17606 2323 1 6 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.254 -0.601 17606 2324 1 6 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.492 -0.758 17606 2325 1 6 . 1 1 59 59 ASP H H 59 8.256 8.256 8.554 -0.298 17606 2326 1 6 . 1 1 60 60 ARG N N 60 118.041 118.041 118.048 -0.007 17606 2327 1 6 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.361 -0.070 17606 2328 1 6 . 1 1 60 60 ARG C C 60 174.918 174.918 175.061 -0.143 17606 2329 1 6 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.239 0.906 17606 2330 1 6 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.014 -0.005 17606 2331 1 6 . 1 1 60 60 ARG H H 60 7.931 7.931 7.737 0.194 17606 2332 1 6 . 1 1 61 61 ILE N N 61 118.787 118.787 119.229 -0.442 17606 2333 1 6 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.532 -0.415 17606 2334 1 6 . 1 1 61 61 ILE C C 61 175.243 175.243 175.669 -0.426 17606 2335 1 6 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.223 0.190 17606 2336 1 6 . 1 1 61 61 ILE CB C 61 38.428 38.428 39.982 -1.554 17606 2337 1 6 . 1 1 61 61 ILE H H 61 7.463 7.463 7.469 -0.006 17606 2338 1 6 . 1 1 62 62 ILE N N 62 127.975 127.975 125.472 2.503 17606 2339 1 6 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.282 -0.126 17606 2340 1 6 . 1 1 62 62 ILE C C 62 175.867 175.867 174.274 1.593 17606 2341 1 6 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.750 0.686 17606 2342 1 6 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.586 -0.267 17606 2343 1 6 . 1 1 62 62 ILE H H 62 8.773 8.773 8.871 -0.098 17606 2344 1 6 . 1 1 63 63 TRP N N 63 131.233 131.233 129.886 1.347 17606 2345 1 6 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.909 -0.347 17606 2346 1 6 . 1 1 63 63 TRP C C 63 174.859 174.859 174.496 0.363 17606 2347 1 6 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.349 0.193 17606 2348 1 6 . 1 1 63 63 TRP CB C 63 28.659 28.659 30.039 -1.380 17606 2349 1 6 . 1 1 63 63 TRP H H 63 8.506 8.506 8.504 0.002 17606 2350 1 6 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.546 0.003 17606 2351 1 6 . 1 1 64 64 PRO C C 64 176.966 176.966 175.773 1.193 17606 2352 1 6 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.340 -0.209 17606 2353 1 6 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.696 0.329 17606 2354 1 6 . 1 1 65 65 LEU N N 65 121.886 121.886 125.740 -3.854 17606 2355 1 6 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.330 0.003 17606 2356 1 6 . 1 1 65 65 LEU C C 65 177.243 177.243 175.558 1.685 17606 2357 1 6 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.038 0.454 17606 2358 1 6 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.231 -0.861 17606 2359 1 6 . 1 1 65 65 LEU H H 65 8.426 8.426 8.068 0.358 17606 2360 1 6 . 1 1 66 66 ASP N N 66 120.509 120.509 119.285 1.224 17606 2361 1 6 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.404 0.174 17606 2362 1 6 . 1 1 66 66 ASP C C 66 176.402 176.402 175.902 0.500 17606 2363 1 6 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.285 -1.036 17606 2364 1 6 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.784 0.372 17606 2365 1 6 . 1 1 66 66 ASP H H 66 8.348 8.348 8.609 -0.261 17606 2366 1 6 . 1 1 67 67 LYS N N 67 121.925 121.925 119.504 2.421 17606 2367 1 6 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.187 0.091 17606 2368 1 6 . 1 1 67 67 LYS C C 67 177.158 177.158 178.299 -1.141 17606 2369 1 6 . 1 1 67 67 LYS CA C 67 56.599 56.599 57.746 -1.147 17606 2370 1 6 . 1 1 67 67 LYS CB C 67 32.753 32.753 33.107 -0.354 17606 2371 1 6 . 1 1 67 67 LYS H H 67 8.327 8.327 8.017 0.310 17606 2372 1 6 . 1 1 68 68 GLY N N 68 109.417 109.417 107.354 2.063 17606 2373 1 6 . 1 1 68 68 GLY C C 68 174.413 174.413 173.878 0.535 17606 2374 1 6 . 1 1 68 68 GLY CA C 68 45.623 45.623 46.103 -0.480 17606 2375 1 6 . 1 1 68 68 GLY H H 68 8.558 8.558 8.087 0.471 17606 2376 1 6 . 1 1 69 69 LEU N N 69 120.937 120.937 123.132 -2.195 17606 2377 1 6 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.750 -0.495 17606 2378 1 6 . 1 1 69 69 LEU C C 69 177.559 177.559 176.232 1.327 17606 2379 1 6 . 1 1 69 69 LEU CA C 69 55.326 55.326 53.255 2.071 17606 2380 1 6 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.856 0.313 17606 2381 1 6 . 1 1 69 69 LEU H H 69 7.972 7.972 7.855 0.117 17606 2382 1 6 . 1 1 70 70 GLU N N 70 120.764 120.764 122.260 -1.496 17606 2383 1 6 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.156 -0.030 17606 2384 1 6 . 1 1 70 70 GLU C C 70 176.435 176.435 176.712 -0.277 17606 2385 1 6 . 1 1 70 70 GLU CA C 70 57.150 57.150 58.098 -0.948 17606 2386 1 6 . 1 1 70 70 GLU CB C 70 29.859 29.859 29.800 0.059 17606 2387 1 6 . 1 1 70 70 GLU H H 70 8.443 8.443 8.749 -0.306 17606 2388 1 6 . 1 1 71 71 HIS N N 71 119.554 119.554 118.190 1.364 17606 2389 1 6 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.560 0.038 17606 2390 1 6 . 1 1 71 71 HIS C C 71 174.001 174.001 173.887 0.114 17606 2391 1 6 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.155 0.923 17606 2392 1 6 . 1 1 71 71 HIS CB C 71 30.551 30.551 28.322 2.229 17606 2393 1 6 . 1 1 71 71 HIS H H 71 8.223 8.223 8.030 0.193 17606 2394 1 6 . 1 1 72 72 HIS N N 72 125.509 125.509 120.420 5.089 17606 2395 1 6 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.395 0.019 17606 2396 1 6 . 1 1 72 72 HIS C C 72 179.225 179.225 174.544 4.681 17606 2397 1 6 . 1 1 72 72 HIS CA C 72 57.363 57.363 56.488 0.875 17606 2398 1 6 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.884 -0.434 17606 2399 1 6 . 1 1 72 72 HIS H H 72 8.101 8.101 7.761 0.340 17606 2400 1 6 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.516 0.028 17606 2401 1 6 . 1 1 73 73 HIS CA C 73 56.078 56.078 56.028 0.050 17606 2402 1 6 . 1 1 73 73 HIS CB C 73 30.551 30.551 29.123 1.428 17606 2403 1 6 . 1 1 74 74 HIS N N 74 120.202 120.202 122.381 -2.179 17606 2404 1 6 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.725 -0.523 17606 2405 1 6 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.811 0.224 17606 2406 1 6 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.717 -0.485 17606 2407 1 6 . 1 1 74 74 HIS H H 74 8.189 8.189 8.471 -0.282 17606 2408 1 6 . 1 1 75 75 HIS N N 75 120.367 120.367 119.598 0.769 17606 2409 1 6 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.553 -0.130 17606 2410 1 6 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.621 -1.106 17606 2411 1 6 . 1 1 75 75 HIS CB C 75 33.268 33.268 28.773 4.495 17606 2412 1 6 . 1 1 75 75 HIS H H 75 8.258 8.258 8.043 0.215 17606 2413 1 7 . 1 1 2 2 ASP N N 2 121.539 121.539 123.842 -2.303 17606 2414 1 7 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.643 -0.088 17606 2415 1 7 . 1 1 2 2 ASP C C 2 176.030 176.030 175.938 0.092 17606 2416 1 7 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.708 -0.155 17606 2417 1 7 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.667 -0.363 17606 2418 1 7 . 1 1 2 2 ASP H H 2 8.515 8.515 8.475 0.040 17606 2419 1 7 . 1 1 3 3 MET N N 3 120.469 120.469 117.945 2.524 17606 2420 1 7 . 1 1 3 3 MET HA H 3 4.472 4.472 4.463 0.009 17606 2421 1 7 . 1 1 3 3 MET C C 3 176.040 176.040 173.962 2.078 17606 2422 1 7 . 1 1 3 3 MET CA C 3 55.373 55.373 55.421 -0.048 17606 2423 1 7 . 1 1 3 3 MET CB C 3 33.196 33.196 33.909 -0.713 17606 2424 1 7 . 1 1 3 3 MET H H 3 8.340 8.340 7.597 0.743 17606 2425 1 7 . 1 1 4 4 GLU N N 4 123.512 123.512 124.497 -0.985 17606 2426 1 7 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.832 -0.294 17606 2427 1 7 . 1 1 4 4 GLU C C 4 174.592 174.592 174.274 0.318 17606 2428 1 7 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.000 0.554 17606 2429 1 7 . 1 1 4 4 GLU CB C 4 29.646 29.646 31.085 -1.439 17606 2430 1 7 . 1 1 4 4 GLU H H 4 8.424 8.424 8.361 0.063 17606 2431 1 7 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.213 0.189 17606 2432 1 7 . 1 1 5 5 PRO C C 5 176.669 176.669 175.917 0.752 17606 2433 1 7 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.733 -0.242 17606 2434 1 7 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.382 0.620 17606 2435 1 7 . 1 1 6 6 CYS N N 6 119.970 119.970 122.308 -2.338 17606 2436 1 7 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.534 -0.012 17606 2437 1 7 . 1 1 6 6 CYS C C 6 175.020 175.020 173.474 1.546 17606 2438 1 7 . 1 1 6 6 CYS CA C 6 58.662 58.662 57.585 1.077 17606 2439 1 7 . 1 1 6 6 CYS CB C 6 27.638 27.638 30.430 -2.792 17606 2440 1 7 . 1 1 6 6 CYS H H 6 8.539 8.539 8.109 0.430 17606 2441 1 7 . 1 1 7 7 LEU N N 7 125.146 125.146 120.060 5.086 17606 2442 1 7 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.208 0.225 17606 2443 1 7 . 1 1 7 7 LEU C C 7 178.244 178.244 176.759 1.485 17606 2444 1 7 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.382 -1.021 17606 2445 1 7 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.822 1.865 17606 2446 1 7 . 1 1 7 7 LEU H H 7 8.649 8.649 8.715 -0.066 17606 2447 1 7 . 1 1 8 8 THR N N 8 116.760 116.760 108.836 7.924 17606 2448 1 7 . 1 1 8 8 THR HA H 8 3.966 3.966 4.700 -0.734 17606 2449 1 7 . 1 1 8 8 THR C C 8 175.108 175.108 176.096 -0.988 17606 2450 1 7 . 1 1 8 8 THR CA C 8 64.244 64.244 62.338 1.906 17606 2451 1 7 . 1 1 8 8 THR CB C 8 69.071 69.071 69.130 -0.059 17606 2452 1 7 . 1 1 8 8 THR H H 8 8.124 8.124 7.565 0.559 17606 2453 1 7 . 1 1 9 9 GLY N N 9 113.810 113.810 114.891 -1.081 17606 2454 1 7 . 1 1 9 9 GLY C C 9 174.510 174.510 175.037 -0.527 17606 2455 1 7 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.075 -0.063 17606 2456 1 7 . 1 1 9 9 GLY H H 9 9.095 9.095 8.750 0.345 17606 2457 1 7 . 1 1 10 10 THR N N 10 116.938 116.938 120.085 -3.147 17606 2458 1 7 . 1 1 10 10 THR HA H 10 4.179 4.179 4.210 -0.031 17606 2459 1 7 . 1 1 10 10 THR C C 10 173.450 173.450 174.067 -0.617 17606 2460 1 7 . 1 1 10 10 THR CA C 10 64.192 64.192 63.826 0.366 17606 2461 1 7 . 1 1 10 10 THR CB C 10 70.093 70.093 69.129 0.964 17606 2462 1 7 . 1 1 10 10 THR H H 10 8.002 8.002 7.809 0.193 17606 2463 1 7 . 1 1 11 11 LYS N N 11 127.263 127.263 128.950 -1.687 17606 2464 1 7 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.912 -0.086 17606 2465 1 7 . 1 1 11 11 LYS C C 11 176.157 176.157 175.962 0.195 17606 2466 1 7 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.923 0.818 17606 2467 1 7 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.588 -0.033 17606 2468 1 7 . 1 1 11 11 LYS H H 11 8.514 8.514 8.621 -0.107 17606 2469 1 7 . 1 1 12 12 VAL N N 12 116.892 116.892 119.278 -2.386 17606 2470 1 7 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.380 0.210 17606 2471 1 7 . 1 1 12 12 VAL C C 12 174.476 174.476 174.320 0.156 17606 2472 1 7 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.093 0.119 17606 2473 1 7 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.643 0.901 17606 2474 1 7 . 1 1 12 12 VAL H H 12 8.738 8.738 8.993 -0.255 17606 2475 1 7 . 1 1 13 13 LYS N N 13 118.427 118.427 120.033 -1.606 17606 2476 1 7 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.799 0.324 17606 2477 1 7 . 1 1 13 13 LYS C C 13 174.853 174.853 175.110 -0.257 17606 2478 1 7 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.111 0.872 17606 2479 1 7 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.964 0.823 17606 2480 1 7 . 1 1 13 13 LYS H H 13 7.677 7.677 8.320 -0.643 17606 2481 1 7 . 1 1 14 14 VAL N N 14 120.913 120.913 123.442 -2.529 17606 2482 1 7 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.806 0.020 17606 2483 1 7 . 1 1 14 14 VAL C C 14 175.645 175.645 174.062 1.583 17606 2484 1 7 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.521 -0.130 17606 2485 1 7 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.914 1.113 17606 2486 1 7 . 1 1 14 14 VAL H H 14 9.178 9.178 9.319 -0.141 17606 2487 1 7 . 1 1 15 15 LYS N N 15 125.862 125.862 128.705 -2.843 17606 2488 1 7 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.894 -0.312 17606 2489 1 7 . 1 1 15 15 LYS C C 15 175.430 175.430 174.134 1.296 17606 2490 1 7 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.140 1.551 17606 2491 1 7 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.302 -0.538 17606 2492 1 7 . 1 1 15 15 LYS H H 15 9.010 9.010 9.049 -0.039 17606 2493 1 7 . 1 1 16 16 TYR N N 16 127.499 127.499 127.069 0.430 17606 2494 1 7 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.668 -0.030 17606 2495 1 7 . 1 1 16 16 TYR C C 16 175.096 175.096 173.835 1.261 17606 2496 1 7 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.255 1.093 17606 2497 1 7 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.538 0.955 17606 2498 1 7 . 1 1 16 16 TYR H H 16 9.305 9.305 9.058 0.247 17606 2499 1 7 . 1 1 17 17 GLY N N 17 115.501 115.501 112.898 2.603 17606 2500 1 7 . 1 1 17 17 GLY C C 17 173.380 173.380 172.228 1.152 17606 2501 1 7 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.416 -1.200 17606 2502 1 7 . 1 1 17 17 GLY H H 17 8.383 8.383 7.880 0.503 17606 2503 1 7 . 1 1 18 18 ARG N N 18 117.847 117.847 119.579 -1.732 17606 2504 1 7 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.778 -0.173 17606 2505 1 7 . 1 1 18 18 ARG C C 18 175.941 175.941 176.950 -1.009 17606 2506 1 7 . 1 1 18 18 ARG CA C 18 55.340 55.340 53.888 1.452 17606 2507 1 7 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.104 3.082 17606 2508 1 7 . 1 1 18 18 ARG H H 18 8.305 8.305 8.439 -0.134 17606 2509 1 7 . 1 1 19 19 GLY N N 19 110.572 110.572 116.181 -5.609 17606 2510 1 7 . 1 1 19 19 GLY C C 19 176.227 176.227 174.564 1.663 17606 2511 1 7 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.555 -0.665 17606 2512 1 7 . 1 1 19 19 GLY H H 19 8.857 8.857 8.776 0.081 17606 2513 1 7 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.250 -0.066 17606 2514 1 7 . 1 1 20 20 LYS C C 20 177.694 177.694 178.161 -0.467 17606 2515 1 7 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.658 0.721 17606 2516 1 7 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.904 -0.411 17606 2517 1 7 . 1 1 20 20 LYS H H 20 6.723 6.723 8.426 -1.703 17606 2518 1 7 . 1 1 21 21 THR N N 21 108.329 108.329 119.172 -10.843 17606 2519 1 7 . 1 1 21 21 THR HA H 21 4.437 4.437 4.373 0.064 17606 2520 1 7 . 1 1 21 21 THR C C 21 173.999 173.999 172.710 1.289 17606 2521 1 7 . 1 1 21 21 THR CA C 21 60.895 60.895 62.319 -1.424 17606 2522 1 7 . 1 1 21 21 THR CB C 21 68.907 68.907 67.078 1.829 17606 2523 1 7 . 1 1 21 21 THR H H 21 7.839 7.839 7.789 0.050 17606 2524 1 7 . 1 1 22 22 GLN N N 22 123.126 123.126 123.279 -0.153 17606 2525 1 7 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.448 -0.018 17606 2526 1 7 . 1 1 22 22 GLN C C 22 175.190 175.190 174.300 0.890 17606 2527 1 7 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.563 2.232 17606 2528 1 7 . 1 1 22 22 GLN CB C 22 31.031 31.031 30.206 0.825 17606 2529 1 7 . 1 1 22 22 GLN H H 22 7.503 7.503 7.734 -0.231 17606 2530 1 7 . 1 1 23 23 LYS N N 23 126.763 126.763 127.853 -1.090 17606 2531 1 7 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.339 0.198 17606 2532 1 7 . 1 1 23 23 LYS C C 23 174.087 174.087 174.679 -0.592 17606 2533 1 7 . 1 1 23 23 LYS CA C 23 54.444 54.444 55.270 -0.826 17606 2534 1 7 . 1 1 23 23 LYS CB C 23 36.495 36.495 33.659 2.836 17606 2535 1 7 . 1 1 23 23 LYS H H 23 8.937 8.937 8.043 0.894 17606 2536 1 7 . 1 1 24 24 ILE N N 24 120.287 120.287 126.134 -5.847 17606 2537 1 7 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.916 -0.166 17606 2538 1 7 . 1 1 24 24 ILE C C 24 175.772 175.772 175.259 0.513 17606 2539 1 7 . 1 1 24 24 ILE CA C 24 59.920 59.920 60.338 -0.418 17606 2540 1 7 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.375 0.879 17606 2541 1 7 . 1 1 24 24 ILE H H 24 7.980 7.980 8.415 -0.435 17606 2542 1 7 . 1 1 25 25 TYR N N 25 126.020 126.020 123.726 2.294 17606 2543 1 7 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.019 0.052 17606 2544 1 7 . 1 1 25 25 TYR C C 25 175.859 175.859 173.811 2.048 17606 2545 1 7 . 1 1 25 25 TYR CA C 25 55.860 55.860 53.394 2.466 17606 2546 1 7 . 1 1 25 25 TYR CB C 25 42.467 42.467 39.903 2.564 17606 2547 1 7 . 1 1 25 25 TYR H H 25 8.885 8.885 9.090 -0.205 17606 2548 1 7 . 1 1 26 26 GLU N N 26 121.186 121.186 119.767 1.419 17606 2549 1 7 . 1 1 26 26 GLU HA H 26 4.642 4.642 4.926 -0.284 17606 2550 1 7 . 1 1 26 26 GLU C C 26 176.001 176.001 174.732 1.269 17606 2551 1 7 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.240 1.888 17606 2552 1 7 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.337 -1.614 17606 2553 1 7 . 1 1 26 26 GLU H H 26 8.915 8.915 8.825 0.090 17606 2554 1 7 . 1 1 27 27 ALA N N 27 125.281 125.281 126.726 -1.445 17606 2555 1 7 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.658 0.312 17606 2556 1 7 . 1 1 27 27 ALA C C 27 175.178 175.178 175.209 -0.031 17606 2557 1 7 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.005 1.310 17606 2558 1 7 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.447 2.208 17606 2559 1 7 . 1 1 27 27 ALA H H 27 8.834 8.834 8.839 -0.005 17606 2560 1 7 . 1 1 28 28 SER N N 28 112.133 112.133 113.664 -1.531 17606 2561 1 7 . 1 1 28 28 SER HA H 28 5.328 5.328 5.533 -0.205 17606 2562 1 7 . 1 1 28 28 SER C C 28 174.404 174.404 173.916 0.488 17606 2563 1 7 . 1 1 28 28 SER CA C 28 56.133 56.133 55.960 0.173 17606 2564 1 7 . 1 1 28 28 SER CB C 28 66.075 66.075 65.485 0.590 17606 2565 1 7 . 1 1 28 28 SER H H 28 8.529 8.529 8.477 0.052 17606 2566 1 7 . 1 1 29 29 ILE N N 29 122.044 122.044 125.357 -3.313 17606 2567 1 7 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.814 0.328 17606 2568 1 7 . 1 1 29 29 ILE C C 29 176.473 176.473 175.935 0.538 17606 2569 1 7 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.878 0.683 17606 2570 1 7 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.330 1.694 17606 2571 1 7 . 1 1 29 29 ILE H H 29 8.431 8.431 8.723 -0.292 17606 2572 1 7 . 1 1 30 30 LYS N N 30 128.795 128.795 128.232 0.563 17606 2573 1 7 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.386 0.024 17606 2574 1 7 . 1 1 30 30 LYS C C 30 176.559 176.559 176.126 0.433 17606 2575 1 7 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.016 0.993 17606 2576 1 7 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.607 -0.726 17606 2577 1 7 . 1 1 30 30 LYS H H 30 9.687 9.687 8.903 0.784 17606 2578 1 7 . 1 1 31 31 SER N N 31 111.044 111.044 112.036 -0.992 17606 2579 1 7 . 1 1 31 31 SER HA H 31 4.671 4.671 4.950 -0.279 17606 2580 1 7 . 1 1 31 31 SER C C 31 172.457 172.457 172.637 -0.180 17606 2581 1 7 . 1 1 31 31 SER CA C 31 57.353 57.353 57.301 0.052 17606 2582 1 7 . 1 1 31 31 SER CB C 31 64.824 64.824 66.944 -2.119 17606 2583 1 7 . 1 1 31 31 SER H H 31 7.537 7.537 7.915 -0.378 17606 2584 1 7 . 1 1 32 32 THR N N 32 113.911 113.911 116.029 -2.118 17606 2585 1 7 . 1 1 32 32 THR HA H 32 5.564 5.564 5.104 0.460 17606 2586 1 7 . 1 1 32 32 THR C C 32 173.003 173.003 173.105 -0.102 17606 2587 1 7 . 1 1 32 32 THR CA C 32 60.589 60.589 61.379 -0.790 17606 2588 1 7 . 1 1 32 32 THR CB C 32 72.217 72.217 71.833 0.384 17606 2589 1 7 . 1 1 32 32 THR H H 32 8.237 8.237 8.312 -0.075 17606 2590 1 7 . 1 1 33 33 GLU N N 33 123.514 123.514 122.210 1.304 17606 2591 1 7 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.642 -0.014 17606 2592 1 7 . 1 1 33 33 GLU C C 33 173.487 173.487 173.613 -0.126 17606 2593 1 7 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.725 0.731 17606 2594 1 7 . 1 1 33 33 GLU CB C 33 34.099 34.099 32.891 1.208 17606 2595 1 7 . 1 1 33 33 GLU H H 33 8.970 8.970 9.403 -0.433 17606 2596 1 7 . 1 1 34 34 ILE N N 34 122.095 122.095 121.243 0.852 17606 2597 1 7 . 1 1 34 34 ILE HA H 34 4.735 4.735 5.079 -0.344 17606 2598 1 7 . 1 1 34 34 ILE C C 34 175.620 175.620 175.451 0.169 17606 2599 1 7 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.377 -0.330 17606 2600 1 7 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.099 -0.442 17606 2601 1 7 . 1 1 34 34 ILE H H 34 8.505 8.505 8.540 -0.035 17606 2602 1 7 . 1 1 35 35 ASP N N 35 127.840 127.840 128.136 -0.296 17606 2603 1 7 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.854 -0.081 17606 2604 1 7 . 1 1 35 35 ASP C C 35 175.804 175.804 175.836 -0.032 17606 2605 1 7 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.286 -0.051 17606 2606 1 7 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.210 -0.791 17606 2607 1 7 . 1 1 35 35 ASP H H 35 8.948 8.948 9.116 -0.168 17606 2608 1 7 . 1 1 36 36 ASP N N 36 127.315 127.315 125.882 1.433 17606 2609 1 7 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.327 -0.064 17606 2610 1 7 . 1 1 36 36 ASP C C 36 175.993 175.993 176.165 -0.172 17606 2611 1 7 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.530 0.590 17606 2612 1 7 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.624 -0.966 17606 2613 1 7 . 1 1 36 36 ASP H H 36 9.065 9.065 8.846 0.219 17606 2614 1 7 . 1 1 37 37 GLY N N 37 103.112 103.112 103.678 -0.566 17606 2615 1 7 . 1 1 37 37 GLY C C 37 173.541 173.541 173.646 -0.105 17606 2616 1 7 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.018 0.453 17606 2617 1 7 . 1 1 37 37 GLY H H 37 8.045 8.045 8.423 -0.378 17606 2618 1 7 . 1 1 38 38 GLU N N 38 121.172 121.172 119.495 1.677 17606 2619 1 7 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.723 -0.072 17606 2620 1 7 . 1 1 38 38 GLU C C 38 174.246 174.246 175.034 -0.788 17606 2621 1 7 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.080 0.639 17606 2622 1 7 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.396 -0.191 17606 2623 1 7 . 1 1 38 38 GLU H H 38 7.769 7.769 7.928 -0.159 17606 2624 1 7 . 1 1 39 39 VAL N N 39 123.983 123.983 122.090 1.893 17606 2625 1 7 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.802 -0.592 17606 2626 1 7 . 1 1 39 39 VAL C C 39 174.546 174.546 174.996 -0.450 17606 2627 1 7 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.785 1.256 17606 2628 1 7 . 1 1 39 39 VAL CB C 39 32.269 32.269 31.737 0.532 17606 2629 1 7 . 1 1 39 39 VAL H H 39 8.455 8.455 8.795 -0.340 17606 2630 1 7 . 1 1 40 40 LEU N N 40 127.105 127.105 127.447 -0.342 17606 2631 1 7 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.163 -0.071 17606 2632 1 7 . 1 1 40 40 LEU C C 40 175.819 175.819 175.818 0.001 17606 2633 1 7 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.695 -0.442 17606 2634 1 7 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.272 2.218 17606 2635 1 7 . 1 1 40 40 LEU H H 40 8.947 8.947 9.099 -0.152 17606 2636 1 7 . 1 1 41 41 TYR N N 41 119.021 119.021 120.926 -1.905 17606 2637 1 7 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.937 0.170 17606 2638 1 7 . 1 1 41 41 TYR C C 41 173.968 173.968 174.280 -0.312 17606 2639 1 7 . 1 1 41 41 TYR CA C 41 56.856 56.856 56.969 -0.113 17606 2640 1 7 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.269 -0.127 17606 2641 1 7 . 1 1 41 41 TYR H H 41 9.337 9.337 9.618 -0.281 17606 2642 1 7 . 1 1 42 42 LEU N N 42 128.770 128.770 125.515 3.255 17606 2643 1 7 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.476 -0.503 17606 2644 1 7 . 1 1 42 42 LEU C C 42 175.491 175.491 174.566 0.925 17606 2645 1 7 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.968 0.399 17606 2646 1 7 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.342 -3.646 17606 2647 1 7 . 1 1 42 42 LEU H H 42 8.304 8.304 8.898 -0.594 17606 2648 1 7 . 1 1 43 43 VAL N N 43 121.269 121.269 121.663 -0.394 17606 2649 1 7 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.936 0.044 17606 2650 1 7 . 1 1 43 43 VAL C C 43 173.257 173.257 173.580 -0.323 17606 2651 1 7 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.115 -0.804 17606 2652 1 7 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.746 -0.692 17606 2653 1 7 . 1 1 43 43 VAL H H 43 8.847 8.847 9.007 -0.160 17606 2654 1 7 . 1 1 44 44 HIS N N 44 118.126 118.126 120.027 -1.901 17606 2655 1 7 . 1 1 44 44 HIS C C 44 174.272 174.272 173.901 0.371 17606 2656 1 7 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.279 1.040 17606 2657 1 7 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.480 -1.464 17606 2658 1 7 . 1 1 44 44 HIS H H 44 8.286 8.286 7.979 0.307 17606 2659 1 7 . 1 1 45 45 TYR N N 45 127.711 127.711 120.417 7.294 17606 2660 1 7 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.706 -0.607 17606 2661 1 7 . 1 1 45 45 TYR C C 45 175.343 175.343 175.744 -0.401 17606 2662 1 7 . 1 1 45 45 TYR CA C 45 58.240 58.240 56.888 1.352 17606 2663 1 7 . 1 1 45 45 TYR CB C 45 37.500 37.500 39.668 -2.168 17606 2664 1 7 . 1 1 45 45 TYR H H 45 8.013 8.013 7.981 0.032 17606 2665 1 7 . 1 1 46 46 TYR N N 46 121.373 121.373 119.142 2.231 17606 2666 1 7 . 1 1 46 46 TYR HA H 46 4.214 4.214 5.030 -0.816 17606 2667 1 7 . 1 1 46 46 TYR CA C 46 58.945 58.945 56.736 2.209 17606 2668 1 7 . 1 1 46 46 TYR CB C 46 38.400 38.400 39.171 -0.771 17606 2669 1 7 . 1 1 46 46 TYR H H 46 7.842 7.842 7.518 0.324 17606 2670 1 7 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.231 -0.084 17606 2671 1 7 . 1 1 48 48 TRP N N 48 121.413 121.413 122.191 -0.778 17606 2672 1 7 . 1 1 48 48 TRP CA C 48 55.966 55.966 56.978 -1.012 17606 2673 1 7 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.879 -0.480 17606 2674 1 7 . 1 1 48 48 TRP H H 48 8.105 8.105 8.265 -0.160 17606 2675 1 7 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.458 -0.284 17606 2676 1 7 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.050 -0.167 17606 2677 1 7 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.059 0.165 17606 2678 1 7 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.207 -0.089 17606 2679 1 7 . 1 1 51 51 ARG C C 51 176.010 176.010 176.699 -0.689 17606 2680 1 7 . 1 1 51 51 ARG CA C 51 57.004 57.004 55.592 1.412 17606 2681 1 7 . 1 1 51 51 ARG CB C 51 29.934 29.934 29.916 0.018 17606 2682 1 7 . 1 1 52 52 TYR N N 52 119.263 119.263 122.885 -3.622 17606 2683 1 7 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.475 0.161 17606 2684 1 7 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.503 1.497 17606 2685 1 7 . 1 1 52 52 TYR CB C 52 38.804 38.804 37.648 1.155 17606 2686 1 7 . 1 1 52 52 TYR H H 52 7.860 7.860 7.670 0.190 17606 2687 1 7 . 1 1 53 53 ASP N N 53 122.103 122.103 126.386 -4.283 17606 2688 1 7 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.932 0.045 17606 2689 1 7 . 1 1 53 53 ASP CA C 53 55.272 55.272 53.449 1.823 17606 2690 1 7 . 1 1 53 53 ASP CB C 53 40.304 40.304 42.468 -2.164 17606 2691 1 7 . 1 1 53 53 ASP H H 53 8.014 8.014 7.802 0.212 17606 2692 1 7 . 1 1 54 54 GLU N N 54 119.733 119.733 125.964 -6.231 17606 2693 1 7 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.618 0.155 17606 2694 1 7 . 1 1 54 54 GLU C C 54 174.099 174.099 174.483 -0.384 17606 2695 1 7 . 1 1 54 54 GLU CA C 54 54.878 54.878 53.680 1.198 17606 2696 1 7 . 1 1 54 54 GLU CB C 54 34.131 34.131 34.069 0.062 17606 2697 1 7 . 1 1 54 54 GLU H H 54 8.018 8.018 8.638 -0.620 17606 2698 1 7 . 1 1 55 55 TRP N N 55 124.675 124.675 122.639 2.036 17606 2699 1 7 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.672 -0.428 17606 2700 1 7 . 1 1 55 55 TRP C C 55 177.088 177.088 176.004 1.084 17606 2701 1 7 . 1 1 55 55 TRP CA C 55 56.389 56.389 55.884 0.505 17606 2702 1 7 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.510 -1.097 17606 2703 1 7 . 1 1 55 55 TRP H H 55 8.760 8.760 8.616 0.144 17606 2704 1 7 . 1 1 56 56 VAL N N 56 119.873 119.873 117.777 2.096 17606 2705 1 7 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.493 0.431 17606 2706 1 7 . 1 1 56 56 VAL C C 56 174.866 174.866 173.652 1.214 17606 2707 1 7 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.343 0.625 17606 2708 1 7 . 1 1 56 56 VAL CB C 56 35.861 35.861 34.834 1.027 17606 2709 1 7 . 1 1 56 56 VAL H H 56 10.006 10.006 8.924 1.082 17606 2710 1 7 . 1 1 57 57 LYS N N 57 120.466 120.466 120.846 -0.380 17606 2711 1 7 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.059 -0.194 17606 2712 1 7 . 1 1 57 57 LYS C C 57 178.120 178.120 177.857 0.263 17606 2713 1 7 . 1 1 57 57 LYS CA C 57 56.441 56.441 54.791 1.650 17606 2714 1 7 . 1 1 57 57 LYS CB C 57 34.184 34.184 35.366 -1.182 17606 2715 1 7 . 1 1 57 57 LYS H H 57 8.361 8.361 8.345 0.016 17606 2716 1 7 . 1 1 58 58 ALA N N 58 120.318 120.318 125.300 -4.982 17606 2717 1 7 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.009 0.145 17606 2718 1 7 . 1 1 58 58 ALA C C 58 179.508 179.508 179.353 0.155 17606 2719 1 7 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.407 0.282 17606 2720 1 7 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.788 0.686 17606 2721 1 7 . 1 1 58 58 ALA H H 58 9.064 9.064 8.698 0.366 17606 2722 1 7 . 1 1 59 59 ASP N N 59 113.824 113.824 114.659 -0.835 17606 2723 1 7 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.517 0.020 17606 2724 1 7 . 1 1 59 59 ASP C C 59 177.499 177.499 176.498 1.001 17606 2725 1 7 . 1 1 59 59 ASP CA C 59 55.653 55.653 55.520 0.133 17606 2726 1 7 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.120 -0.385 17606 2727 1 7 . 1 1 59 59 ASP H H 59 8.256 8.256 8.699 -0.443 17606 2728 1 7 . 1 1 60 60 ARG N N 60 118.041 118.041 116.525 1.516 17606 2729 1 7 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.650 -0.359 17606 2730 1 7 . 1 1 60 60 ARG C C 60 174.918 174.918 175.058 -0.140 17606 2731 1 7 . 1 1 60 60 ARG CA C 60 56.144 56.144 53.748 2.396 17606 2732 1 7 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.373 0.636 17606 2733 1 7 . 1 1 60 60 ARG H H 60 7.931 7.931 7.802 0.129 17606 2734 1 7 . 1 1 61 61 ILE N N 61 118.787 118.787 120.655 -1.868 17606 2735 1 7 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.702 -0.585 17606 2736 1 7 . 1 1 61 61 ILE C C 61 175.243 175.243 175.279 -0.036 17606 2737 1 7 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.025 0.388 17606 2738 1 7 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.798 -2.370 17606 2739 1 7 . 1 1 61 61 ILE H H 61 7.463 7.463 7.428 0.035 17606 2740 1 7 . 1 1 62 62 ILE N N 62 127.975 127.975 126.191 1.784 17606 2741 1 7 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.430 -0.274 17606 2742 1 7 . 1 1 62 62 ILE C C 62 175.867 175.867 174.947 0.920 17606 2743 1 7 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.849 0.587 17606 2744 1 7 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.773 -0.454 17606 2745 1 7 . 1 1 62 62 ILE H H 62 8.773 8.773 8.954 -0.181 17606 2746 1 7 . 1 1 63 63 TRP N N 63 131.233 131.233 129.978 1.255 17606 2747 1 7 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.831 -0.269 17606 2748 1 7 . 1 1 63 63 TRP C C 63 174.859 174.859 174.530 0.329 17606 2749 1 7 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.700 -0.158 17606 2750 1 7 . 1 1 63 63 TRP CB C 63 28.659 28.659 28.904 -0.245 17606 2751 1 7 . 1 1 63 63 TRP H H 63 8.506 8.506 8.558 -0.052 17606 2752 1 7 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.429 0.120 17606 2753 1 7 . 1 1 64 64 PRO C C 64 176.966 176.966 175.869 1.097 17606 2754 1 7 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.314 -0.183 17606 2755 1 7 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.970 0.056 17606 2756 1 7 . 1 1 65 65 LEU N N 65 121.886 121.886 127.934 -6.048 17606 2757 1 7 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.453 -0.120 17606 2758 1 7 . 1 1 65 65 LEU C C 65 177.243 177.243 176.821 0.422 17606 2759 1 7 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.214 0.278 17606 2760 1 7 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.483 -1.113 17606 2761 1 7 . 1 1 65 65 LEU H H 65 8.426 8.426 7.894 0.532 17606 2762 1 7 . 1 1 66 66 ASP N N 66 120.509 120.509 124.421 -3.912 17606 2763 1 7 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.364 0.214 17606 2764 1 7 . 1 1 66 66 ASP C C 66 176.402 176.402 175.182 1.220 17606 2765 1 7 . 1 1 66 66 ASP CA C 66 54.249 54.249 56.511 -2.262 17606 2766 1 7 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.574 0.582 17606 2767 1 7 . 1 1 66 66 ASP H H 66 8.348 8.348 8.819 -0.471 17606 2768 1 7 . 1 1 67 67 LYS N N 67 121.925 121.925 118.506 3.419 17606 2769 1 7 . 1 1 67 67 LYS HA H 67 4.278 4.278 3.966 0.312 17606 2770 1 7 . 1 1 67 67 LYS C C 67 177.158 177.158 175.949 1.209 17606 2771 1 7 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.335 0.264 17606 2772 1 7 . 1 1 67 67 LYS CB C 67 32.753 32.753 31.728 1.025 17606 2773 1 7 . 1 1 67 67 LYS H H 67 8.327 8.327 8.163 0.164 17606 2774 1 7 . 1 1 68 68 GLY N N 68 109.417 109.417 108.395 1.022 17606 2775 1 7 . 1 1 68 68 GLY C C 68 174.413 174.413 175.037 -0.624 17606 2776 1 7 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.686 -0.063 17606 2777 1 7 . 1 1 68 68 GLY H H 68 8.558 8.558 8.717 -0.159 17606 2778 1 7 . 1 1 69 69 LEU N N 69 120.937 120.937 119.612 1.325 17606 2779 1 7 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.385 -0.130 17606 2780 1 7 . 1 1 69 69 LEU C C 69 177.559 177.559 177.396 0.163 17606 2781 1 7 . 1 1 69 69 LEU CA C 69 55.326 55.326 56.084 -0.758 17606 2782 1 7 . 1 1 69 69 LEU CB C 69 42.169 42.169 42.124 0.045 17606 2783 1 7 . 1 1 69 69 LEU H H 69 7.972 7.972 7.673 0.299 17606 2784 1 7 . 1 1 70 70 GLU N N 70 120.764 120.764 116.675 4.089 17606 2785 1 7 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.563 -0.437 17606 2786 1 7 . 1 1 70 70 GLU C C 70 176.435 176.435 174.783 1.652 17606 2787 1 7 . 1 1 70 70 GLU CA C 70 57.150 57.150 55.503 1.647 17606 2788 1 7 . 1 1 70 70 GLU CB C 70 29.859 29.859 32.321 -2.462 17606 2789 1 7 . 1 1 70 70 GLU H H 70 8.443 8.443 7.696 0.747 17606 2790 1 7 . 1 1 71 71 HIS N N 71 119.554 119.554 116.589 2.965 17606 2791 1 7 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.904 -0.306 17606 2792 1 7 . 1 1 71 71 HIS C C 71 174.001 174.001 175.895 -1.894 17606 2793 1 7 . 1 1 71 71 HIS CA C 71 56.078 56.078 54.814 1.264 17606 2794 1 7 . 1 1 71 71 HIS CB C 71 30.551 30.551 32.815 -2.264 17606 2795 1 7 . 1 1 71 71 HIS H H 71 8.223 8.223 8.410 -0.187 17606 2796 1 7 . 1 1 72 72 HIS N N 72 125.509 125.509 119.927 5.582 17606 2797 1 7 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.157 0.257 17606 2798 1 7 . 1 1 72 72 HIS C C 72 179.225 179.225 175.225 4.000 17606 2799 1 7 . 1 1 72 72 HIS CA C 72 57.363 57.363 58.724 -1.361 17606 2800 1 7 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.222 0.228 17606 2801 1 7 . 1 1 72 72 HIS H H 72 8.101 8.101 8.140 -0.039 17606 2802 1 7 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.818 -0.274 17606 2803 1 7 . 1 1 73 73 HIS CA C 73 56.078 56.078 55.210 0.868 17606 2804 1 7 . 1 1 73 73 HIS CB C 73 30.551 30.551 31.898 -1.347 17606 2805 1 7 . 1 1 74 74 HIS N N 74 120.202 120.202 119.143 1.059 17606 2806 1 7 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.511 -0.309 17606 2807 1 7 . 1 1 74 74 HIS CA C 74 56.035 56.035 59.184 -3.150 17606 2808 1 7 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.348 -0.116 17606 2809 1 7 . 1 1 74 74 HIS H H 74 8.189 8.189 9.020 -0.831 17606 2810 1 7 . 1 1 75 75 HIS N N 75 120.367 120.367 113.933 6.434 17606 2811 1 7 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.767 -0.344 17606 2812 1 7 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.779 -1.264 17606 2813 1 7 . 1 1 75 75 HIS CB C 75 33.268 33.268 32.152 1.116 17606 2814 1 7 . 1 1 75 75 HIS H H 75 8.258 8.258 8.572 -0.314 17606 2815 1 8 . 1 1 2 2 ASP N N 2 121.539 121.539 123.551 -2.012 17606 2816 1 8 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.809 -0.254 17606 2817 1 8 . 1 1 2 2 ASP C C 2 176.030 176.030 175.121 0.909 17606 2818 1 8 . 1 1 2 2 ASP CA C 2 54.553 54.553 53.583 0.970 17606 2819 1 8 . 1 1 2 2 ASP CB C 2 41.304 41.304 40.139 1.165 17606 2820 1 8 . 1 1 2 2 ASP H H 2 8.515 8.515 9.142 -0.627 17606 2821 1 8 . 1 1 3 3 MET N N 3 120.469 120.469 120.471 -0.002 17606 2822 1 8 . 1 1 3 3 MET HA H 3 4.472 4.472 4.146 0.326 17606 2823 1 8 . 1 1 3 3 MET C C 3 176.040 176.040 174.412 1.628 17606 2824 1 8 . 1 1 3 3 MET CA C 3 55.373 55.373 55.975 -0.602 17606 2825 1 8 . 1 1 3 3 MET CB C 3 33.196 33.196 32.499 0.697 17606 2826 1 8 . 1 1 3 3 MET H H 3 8.340 8.340 8.280 0.060 17606 2827 1 8 . 1 1 4 4 GLU N N 4 123.512 123.512 120.579 2.933 17606 2828 1 8 . 1 1 4 4 GLU HA H 4 4.538 4.538 5.265 -0.727 17606 2829 1 8 . 1 1 4 4 GLU C C 4 174.592 174.592 174.706 -0.114 17606 2830 1 8 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.465 1.089 17606 2831 1 8 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.215 -0.569 17606 2832 1 8 . 1 1 4 4 GLU H H 4 8.424 8.424 8.364 0.060 17606 2833 1 8 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.555 -0.153 17606 2834 1 8 . 1 1 5 5 PRO C C 5 176.669 176.669 176.772 -0.103 17606 2835 1 8 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.038 0.453 17606 2836 1 8 . 1 1 5 5 PRO CB C 5 32.002 32.002 30.454 1.548 17606 2837 1 8 . 1 1 6 6 CYS N N 6 119.970 119.970 118.874 1.096 17606 2838 1 8 . 1 1 6 6 CYS HA H 6 4.522 4.522 3.953 0.569 17606 2839 1 8 . 1 1 6 6 CYS C C 6 175.020 175.020 176.157 -1.137 17606 2840 1 8 . 1 1 6 6 CYS CA C 6 58.662 58.662 62.288 -3.626 17606 2841 1 8 . 1 1 6 6 CYS CB C 6 27.638 27.638 26.074 1.564 17606 2842 1 8 . 1 1 6 6 CYS H H 6 8.539 8.539 8.634 -0.095 17606 2843 1 8 . 1 1 7 7 LEU N N 7 125.146 125.146 120.243 4.903 17606 2844 1 8 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.615 -0.182 17606 2845 1 8 . 1 1 7 7 LEU C C 7 178.244 178.244 177.183 1.061 17606 2846 1 8 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.501 -1.140 17606 2847 1 8 . 1 1 7 7 LEU CB C 7 42.687 42.687 42.686 0.001 17606 2848 1 8 . 1 1 7 7 LEU H H 7 8.649 8.649 8.334 0.315 17606 2849 1 8 . 1 1 8 8 THR N N 8 116.760 116.760 110.614 6.146 17606 2850 1 8 . 1 1 8 8 THR HA H 8 3.966 3.966 4.152 -0.186 17606 2851 1 8 . 1 1 8 8 THR C C 8 175.108 175.108 175.985 -0.877 17606 2852 1 8 . 1 1 8 8 THR CA C 8 64.244 64.244 63.774 0.470 17606 2853 1 8 . 1 1 8 8 THR CB C 8 69.071 69.071 68.991 0.080 17606 2854 1 8 . 1 1 8 8 THR H H 8 8.124 8.124 7.822 0.302 17606 2855 1 8 . 1 1 9 9 GLY N N 9 113.810 113.810 114.774 -0.964 17606 2856 1 8 . 1 1 9 9 GLY C C 9 174.510 174.510 174.471 0.039 17606 2857 1 8 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.460 -0.448 17606 2858 1 8 . 1 1 9 9 GLY H H 9 9.095 9.095 9.043 0.052 17606 2859 1 8 . 1 1 10 10 THR N N 10 116.938 116.938 119.546 -2.608 17606 2860 1 8 . 1 1 10 10 THR HA H 10 4.179 4.179 4.159 0.020 17606 2861 1 8 . 1 1 10 10 THR C C 10 173.450 173.450 173.567 -0.117 17606 2862 1 8 . 1 1 10 10 THR CA C 10 64.192 64.192 63.468 0.724 17606 2863 1 8 . 1 1 10 10 THR CB C 10 70.093 70.093 69.627 0.466 17606 2864 1 8 . 1 1 10 10 THR H H 10 8.002 8.002 7.712 0.290 17606 2865 1 8 . 1 1 11 11 LYS N N 11 127.263 127.263 126.485 0.778 17606 2866 1 8 . 1 1 11 11 LYS HA H 11 4.826 4.826 5.044 -0.218 17606 2867 1 8 . 1 1 11 11 LYS C C 11 176.157 176.157 175.536 0.621 17606 2868 1 8 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.064 1.677 17606 2869 1 8 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.358 -0.803 17606 2870 1 8 . 1 1 11 11 LYS H H 11 8.514 8.514 8.313 0.201 17606 2871 1 8 . 1 1 12 12 VAL N N 12 116.892 116.892 116.163 0.729 17606 2872 1 8 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.472 0.118 17606 2873 1 8 . 1 1 12 12 VAL C C 12 174.476 174.476 174.322 0.154 17606 2874 1 8 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.048 0.164 17606 2875 1 8 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.794 -0.251 17606 2876 1 8 . 1 1 12 12 VAL H H 12 8.738 8.738 9.139 -0.401 17606 2877 1 8 . 1 1 13 13 LYS N N 13 118.427 118.427 119.825 -1.398 17606 2878 1 8 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.361 -0.238 17606 2879 1 8 . 1 1 13 13 LYS C C 13 174.853 174.853 175.461 -0.608 17606 2880 1 8 . 1 1 13 13 LYS CA C 13 54.983 54.983 53.816 1.167 17606 2881 1 8 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.041 0.746 17606 2882 1 8 . 1 1 13 13 LYS H H 13 7.677 7.677 7.982 -0.305 17606 2883 1 8 . 1 1 14 14 VAL N N 14 120.913 120.913 123.503 -2.590 17606 2884 1 8 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.453 0.373 17606 2885 1 8 . 1 1 14 14 VAL C C 14 175.645 175.645 174.272 1.373 17606 2886 1 8 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.994 -0.603 17606 2887 1 8 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.994 1.033 17606 2888 1 8 . 1 1 14 14 VAL H H 14 9.178 9.178 8.878 0.300 17606 2889 1 8 . 1 1 15 15 LYS N N 15 125.862 125.862 127.728 -1.866 17606 2890 1 8 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.601 -0.019 17606 2891 1 8 . 1 1 15 15 LYS C C 15 175.430 175.430 174.312 1.118 17606 2892 1 8 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.157 1.534 17606 2893 1 8 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.241 -0.477 17606 2894 1 8 . 1 1 15 15 LYS H H 15 9.010 9.010 8.553 0.457 17606 2895 1 8 . 1 1 16 16 TYR N N 16 127.499 127.499 126.357 1.142 17606 2896 1 8 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.747 -0.109 17606 2897 1 8 . 1 1 16 16 TYR C C 16 175.096 175.096 174.135 0.961 17606 2898 1 8 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.073 1.275 17606 2899 1 8 . 1 1 16 16 TYR CB C 16 42.493 42.493 42.691 -0.198 17606 2900 1 8 . 1 1 16 16 TYR H H 16 9.305 9.305 8.271 1.034 17606 2901 1 8 . 1 1 17 17 GLY N N 17 115.501 115.501 110.033 5.468 17606 2902 1 8 . 1 1 17 17 GLY C C 17 173.380 173.380 171.558 1.822 17606 2903 1 8 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.454 -1.238 17606 2904 1 8 . 1 1 17 17 GLY H H 17 8.383 8.383 8.076 0.307 17606 2905 1 8 . 1 1 18 18 ARG N N 18 117.847 117.847 118.548 -0.701 17606 2906 1 8 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.684 -0.079 17606 2907 1 8 . 1 1 18 18 ARG C C 18 175.941 175.941 176.318 -0.377 17606 2908 1 8 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.903 0.437 17606 2909 1 8 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.229 1.957 17606 2910 1 8 . 1 1 18 18 ARG H H 18 8.305 8.305 8.443 -0.138 17606 2911 1 8 . 1 1 19 19 GLY N N 19 110.572 110.572 115.450 -4.878 17606 2912 1 8 . 1 1 19 19 GLY C C 19 176.227 176.227 175.241 0.986 17606 2913 1 8 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.425 -0.535 17606 2914 1 8 . 1 1 19 19 GLY H H 19 8.857 8.857 8.800 0.057 17606 2915 1 8 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.353 -0.169 17606 2916 1 8 . 1 1 20 20 LYS C C 20 177.694 177.694 177.588 0.106 17606 2917 1 8 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.222 1.157 17606 2918 1 8 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.322 0.171 17606 2919 1 8 . 1 1 20 20 LYS H H 20 6.723 6.723 8.457 -1.734 17606 2920 1 8 . 1 1 21 21 THR N N 21 108.329 108.329 116.990 -8.661 17606 2921 1 8 . 1 1 21 21 THR HA H 21 4.437 4.437 4.333 0.104 17606 2922 1 8 . 1 1 21 21 THR C C 21 173.999 173.999 173.193 0.806 17606 2923 1 8 . 1 1 21 21 THR CA C 21 60.895 60.895 63.129 -2.234 17606 2924 1 8 . 1 1 21 21 THR CB C 21 68.907 68.907 68.522 0.385 17606 2925 1 8 . 1 1 21 21 THR H H 21 7.839 7.839 7.800 0.039 17606 2926 1 8 . 1 1 22 22 GLN N N 22 123.126 123.126 121.598 1.528 17606 2927 1 8 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.460 -0.030 17606 2928 1 8 . 1 1 22 22 GLN C C 22 175.190 175.190 174.896 0.294 17606 2929 1 8 . 1 1 22 22 GLN CA C 22 56.795 56.795 56.048 0.747 17606 2930 1 8 . 1 1 22 22 GLN CB C 22 31.031 31.031 30.478 0.553 17606 2931 1 8 . 1 1 22 22 GLN H H 22 7.503 7.503 7.429 0.074 17606 2932 1 8 . 1 1 23 23 LYS N N 23 126.763 126.763 123.596 3.167 17606 2933 1 8 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.519 0.018 17606 2934 1 8 . 1 1 23 23 LYS C C 23 174.087 174.087 173.559 0.528 17606 2935 1 8 . 1 1 23 23 LYS CA C 23 54.444 54.444 53.886 0.558 17606 2936 1 8 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.179 1.316 17606 2937 1 8 . 1 1 23 23 LYS H H 23 8.937 8.937 8.247 0.690 17606 2938 1 8 . 1 1 24 24 ILE N N 24 120.287 120.287 120.773 -0.486 17606 2939 1 8 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.721 0.029 17606 2940 1 8 . 1 1 24 24 ILE C C 24 175.772 175.772 175.311 0.461 17606 2941 1 8 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.416 0.504 17606 2942 1 8 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.362 -0.108 17606 2943 1 8 . 1 1 24 24 ILE H H 24 7.980 7.980 8.219 -0.239 17606 2944 1 8 . 1 1 25 25 TYR N N 25 126.020 126.020 125.801 0.219 17606 2945 1 8 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.633 0.438 17606 2946 1 8 . 1 1 25 25 TYR C C 25 175.859 175.859 175.515 0.344 17606 2947 1 8 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.697 0.163 17606 2948 1 8 . 1 1 25 25 TYR CB C 25 42.467 42.467 41.088 1.379 17606 2949 1 8 . 1 1 25 25 TYR H H 25 8.885 8.885 9.001 -0.116 17606 2950 1 8 . 1 1 26 26 GLU N N 26 121.186 121.186 120.278 0.908 17606 2951 1 8 . 1 1 26 26 GLU HA H 26 4.642 4.642 4.975 -0.333 17606 2952 1 8 . 1 1 26 26 GLU C C 26 176.001 176.001 175.240 0.761 17606 2953 1 8 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.452 1.676 17606 2954 1 8 . 1 1 26 26 GLU CB C 26 30.723 30.723 29.924 0.799 17606 2955 1 8 . 1 1 26 26 GLU H H 26 8.915 8.915 8.709 0.206 17606 2956 1 8 . 1 1 27 27 ALA N N 27 125.281 125.281 128.888 -3.607 17606 2957 1 8 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.350 -0.380 17606 2958 1 8 . 1 1 27 27 ALA C C 27 175.178 175.178 175.591 -0.413 17606 2959 1 8 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.158 1.157 17606 2960 1 8 . 1 1 27 27 ALA CB C 27 24.655 24.655 23.282 1.373 17606 2961 1 8 . 1 1 27 27 ALA H H 27 8.834 8.834 9.306 -0.472 17606 2962 1 8 . 1 1 28 28 SER N N 28 112.133 112.133 114.014 -1.881 17606 2963 1 8 . 1 1 28 28 SER HA H 28 5.328 5.328 5.285 0.043 17606 2964 1 8 . 1 1 28 28 SER C C 28 174.404 174.404 173.639 0.765 17606 2965 1 8 . 1 1 28 28 SER CA C 28 56.133 56.133 56.834 -0.701 17606 2966 1 8 . 1 1 28 28 SER CB C 28 66.075 66.075 65.613 0.462 17606 2967 1 8 . 1 1 28 28 SER H H 28 8.529 8.529 8.289 0.240 17606 2968 1 8 . 1 1 29 29 ILE N N 29 122.044 122.044 125.102 -3.058 17606 2969 1 8 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.214 -0.072 17606 2970 1 8 . 1 1 29 29 ILE C C 29 176.473 176.473 176.522 -0.049 17606 2971 1 8 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.474 1.087 17606 2972 1 8 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.655 1.369 17606 2973 1 8 . 1 1 29 29 ILE H H 29 8.431 8.431 8.766 -0.335 17606 2974 1 8 . 1 1 30 30 LYS N N 30 128.795 128.795 129.109 -0.314 17606 2975 1 8 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.445 -0.035 17606 2976 1 8 . 1 1 30 30 LYS C C 30 176.559 176.559 176.174 0.385 17606 2977 1 8 . 1 1 30 30 LYS CA C 30 57.009 57.009 57.139 -0.130 17606 2978 1 8 . 1 1 30 30 LYS CB C 30 33.881 33.881 33.707 0.174 17606 2979 1 8 . 1 1 30 30 LYS H H 30 9.687 9.687 9.054 0.633 17606 2980 1 8 . 1 1 31 31 SER N N 31 111.044 111.044 112.171 -1.127 17606 2981 1 8 . 1 1 31 31 SER HA H 31 4.671 4.671 4.806 -0.135 17606 2982 1 8 . 1 1 31 31 SER C C 31 172.457 172.457 171.997 0.460 17606 2983 1 8 . 1 1 31 31 SER CA C 31 57.353 57.353 57.892 -0.539 17606 2984 1 8 . 1 1 31 31 SER CB C 31 64.824 64.824 64.731 0.092 17606 2985 1 8 . 1 1 31 31 SER H H 31 7.537 7.537 7.549 -0.012 17606 2986 1 8 . 1 1 32 32 THR N N 32 113.911 113.911 117.889 -3.978 17606 2987 1 8 . 1 1 32 32 THR HA H 32 5.564 5.564 5.051 0.513 17606 2988 1 8 . 1 1 32 32 THR C C 32 173.003 173.003 173.380 -0.377 17606 2989 1 8 . 1 1 32 32 THR CA C 32 60.589 60.589 61.187 -0.598 17606 2990 1 8 . 1 1 32 32 THR CB C 32 72.217 72.217 70.727 1.490 17606 2991 1 8 . 1 1 32 32 THR H H 32 8.237 8.237 8.359 -0.122 17606 2992 1 8 . 1 1 33 33 GLU N N 33 123.514 123.514 123.443 0.071 17606 2993 1 8 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.713 -0.085 17606 2994 1 8 . 1 1 33 33 GLU C C 33 173.487 173.487 174.251 -0.764 17606 2995 1 8 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.009 0.447 17606 2996 1 8 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.449 -0.350 17606 2997 1 8 . 1 1 33 33 GLU H H 33 8.970 8.970 9.298 -0.328 17606 2998 1 8 . 1 1 34 34 ILE N N 34 122.095 122.095 121.715 0.380 17606 2999 1 8 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.920 -0.185 17606 3000 1 8 . 1 1 34 34 ILE C C 34 175.620 175.620 175.133 0.487 17606 3001 1 8 . 1 1 34 34 ILE CA C 34 60.047 60.047 59.957 0.090 17606 3002 1 8 . 1 1 34 34 ILE CB C 34 38.657 38.657 38.887 -0.230 17606 3003 1 8 . 1 1 34 34 ILE H H 34 8.505 8.505 8.576 -0.071 17606 3004 1 8 . 1 1 35 35 ASP N N 35 127.840 127.840 127.799 0.041 17606 3005 1 8 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.784 -0.011 17606 3006 1 8 . 1 1 35 35 ASP C C 35 175.804 175.804 175.547 0.257 17606 3007 1 8 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.419 -0.184 17606 3008 1 8 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.224 -0.805 17606 3009 1 8 . 1 1 35 35 ASP H H 35 8.948 8.948 9.055 -0.107 17606 3010 1 8 . 1 1 36 36 ASP N N 36 127.315 127.315 125.140 2.175 17606 3011 1 8 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.325 -0.062 17606 3012 1 8 . 1 1 36 36 ASP C C 36 175.993 175.993 176.260 -0.267 17606 3013 1 8 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.472 0.647 17606 3014 1 8 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.655 -0.996 17606 3015 1 8 . 1 1 36 36 ASP H H 36 9.065 9.065 8.776 0.289 17606 3016 1 8 . 1 1 37 37 GLY N N 37 103.112 103.112 103.619 -0.507 17606 3017 1 8 . 1 1 37 37 GLY C C 37 173.541 173.541 173.801 -0.260 17606 3018 1 8 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.104 0.367 17606 3019 1 8 . 1 1 37 37 GLY H H 37 8.045 8.045 8.449 -0.404 17606 3020 1 8 . 1 1 38 38 GLU N N 38 121.172 121.172 118.476 2.696 17606 3021 1 8 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.669 -0.018 17606 3022 1 8 . 1 1 38 38 GLU C C 38 174.246 174.246 174.920 -0.674 17606 3023 1 8 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.509 0.210 17606 3024 1 8 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.445 -0.240 17606 3025 1 8 . 1 1 38 38 GLU H H 38 7.769 7.769 7.701 0.068 17606 3026 1 8 . 1 1 39 39 VAL N N 39 123.983 123.983 121.314 2.669 17606 3027 1 8 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.658 -0.448 17606 3028 1 8 . 1 1 39 39 VAL C C 39 174.546 174.546 175.203 -0.657 17606 3029 1 8 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.786 1.255 17606 3030 1 8 . 1 1 39 39 VAL CB C 39 32.269 32.269 31.898 0.371 17606 3031 1 8 . 1 1 39 39 VAL H H 39 8.455 8.455 8.693 -0.238 17606 3032 1 8 . 1 1 40 40 LEU N N 40 127.105 127.105 127.404 -0.299 17606 3033 1 8 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.681 -0.589 17606 3034 1 8 . 1 1 40 40 LEU C C 40 175.819 175.819 176.148 -0.329 17606 3035 1 8 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.260 -0.007 17606 3036 1 8 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.857 1.633 17606 3037 1 8 . 1 1 40 40 LEU H H 40 8.947 8.947 9.143 -0.196 17606 3038 1 8 . 1 1 41 41 TYR N N 41 119.021 119.021 120.424 -1.403 17606 3039 1 8 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.197 -0.090 17606 3040 1 8 . 1 1 41 41 TYR C C 41 173.968 173.968 174.958 -0.990 17606 3041 1 8 . 1 1 41 41 TYR CA C 41 56.856 56.856 56.723 0.133 17606 3042 1 8 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.775 -0.633 17606 3043 1 8 . 1 1 41 41 TYR H H 41 9.337 9.337 9.640 -0.303 17606 3044 1 8 . 1 1 42 42 LEU N N 42 128.770 128.770 121.988 6.782 17606 3045 1 8 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.610 -0.637 17606 3046 1 8 . 1 1 42 42 LEU C C 42 175.491 175.491 175.222 0.269 17606 3047 1 8 . 1 1 42 42 LEU CA C 42 53.367 53.367 53.578 -0.211 17606 3048 1 8 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.988 -3.292 17606 3049 1 8 . 1 1 42 42 LEU H H 42 8.304 8.304 9.093 -0.789 17606 3050 1 8 . 1 1 43 43 VAL N N 43 121.269 121.269 118.918 2.351 17606 3051 1 8 . 1 1 43 43 VAL HA H 43 4.980 4.980 5.105 -0.125 17606 3052 1 8 . 1 1 43 43 VAL C C 43 173.257 173.257 173.736 -0.479 17606 3053 1 8 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.150 -0.839 17606 3054 1 8 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.274 -1.220 17606 3055 1 8 . 1 1 43 43 VAL H H 43 8.847 8.847 8.916 -0.069 17606 3056 1 8 . 1 1 44 44 HIS N N 44 118.126 118.126 120.260 -2.134 17606 3057 1 8 . 1 1 44 44 HIS C C 44 174.272 174.272 174.312 -0.040 17606 3058 1 8 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.507 0.812 17606 3059 1 8 . 1 1 44 44 HIS CB C 44 31.016 31.016 31.515 -0.499 17606 3060 1 8 . 1 1 44 44 HIS H H 44 8.286 8.286 8.138 0.148 17606 3061 1 8 . 1 1 45 45 TYR N N 45 127.711 127.711 124.864 2.847 17606 3062 1 8 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.538 -0.439 17606 3063 1 8 . 1 1 45 45 TYR C C 45 175.343 175.343 176.185 -0.842 17606 3064 1 8 . 1 1 45 45 TYR CA C 45 58.240 58.240 57.374 0.866 17606 3065 1 8 . 1 1 45 45 TYR CB C 45 37.500 37.500 36.388 1.112 17606 3066 1 8 . 1 1 45 45 TYR H H 45 8.013 8.013 7.688 0.325 17606 3067 1 8 . 1 1 46 46 TYR N N 46 121.373 121.373 119.990 1.383 17606 3068 1 8 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.841 -0.627 17606 3069 1 8 . 1 1 46 46 TYR CA C 46 58.945 58.945 56.864 2.081 17606 3070 1 8 . 1 1 46 46 TYR CB C 46 38.400 38.400 38.382 0.018 17606 3071 1 8 . 1 1 46 46 TYR H H 46 7.842 7.842 8.366 -0.524 17606 3072 1 8 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.504 0.643 17606 3073 1 8 . 1 1 48 48 TRP N N 48 121.413 121.413 125.830 -4.417 17606 3074 1 8 . 1 1 48 48 TRP CA C 48 55.966 55.966 59.516 -3.550 17606 3075 1 8 . 1 1 48 48 TRP CB C 48 30.399 30.399 28.583 1.816 17606 3076 1 8 . 1 1 48 48 TRP H H 48 8.105 8.105 8.185 -0.080 17606 3077 1 8 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.914 0.260 17606 3078 1 8 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.798 -0.915 17606 3079 1 8 . 1 1 50 50 VAL CB C 50 32.224 32.224 31.920 0.304 17606 3080 1 8 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.233 -0.115 17606 3081 1 8 . 1 1 51 51 ARG C C 51 176.010 176.010 176.239 -0.229 17606 3082 1 8 . 1 1 51 51 ARG CA C 51 57.004 57.004 55.966 1.038 17606 3083 1 8 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.715 -0.781 17606 3084 1 8 . 1 1 52 52 TYR N N 52 119.263 119.263 119.831 -0.568 17606 3085 1 8 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.551 0.085 17606 3086 1 8 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.124 1.876 17606 3087 1 8 . 1 1 52 52 TYR CB C 52 38.804 38.804 36.937 1.867 17606 3088 1 8 . 1 1 52 52 TYR H H 52 7.860 7.860 7.816 0.044 17606 3089 1 8 . 1 1 53 53 ASP N N 53 122.103 122.103 121.489 0.614 17606 3090 1 8 . 1 1 53 53 ASP HA H 53 4.977 4.977 5.000 -0.023 17606 3091 1 8 . 1 1 53 53 ASP CA C 53 55.272 55.272 53.420 1.852 17606 3092 1 8 . 1 1 53 53 ASP CB C 53 40.304 40.304 42.053 -1.749 17606 3093 1 8 . 1 1 53 53 ASP H H 53 8.014 8.014 7.857 0.157 17606 3094 1 8 . 1 1 54 54 GLU N N 54 119.733 119.733 124.898 -5.165 17606 3095 1 8 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.631 0.142 17606 3096 1 8 . 1 1 54 54 GLU C C 54 174.099 174.099 175.159 -1.060 17606 3097 1 8 . 1 1 54 54 GLU CA C 54 54.878 54.878 53.881 0.997 17606 3098 1 8 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.747 0.384 17606 3099 1 8 . 1 1 54 54 GLU H H 54 8.018 8.018 8.621 -0.603 17606 3100 1 8 . 1 1 55 55 TRP N N 55 124.675 124.675 121.437 3.238 17606 3101 1 8 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.939 -0.696 17606 3102 1 8 . 1 1 55 55 TRP C C 55 177.088 177.088 176.273 0.815 17606 3103 1 8 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.243 0.145 17606 3104 1 8 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.747 -1.334 17606 3105 1 8 . 1 1 55 55 TRP H H 55 8.760 8.760 8.735 0.025 17606 3106 1 8 . 1 1 56 56 VAL N N 56 119.873 119.873 115.906 3.967 17606 3107 1 8 . 1 1 56 56 VAL HA H 56 4.924 4.924 5.030 -0.106 17606 3108 1 8 . 1 1 56 56 VAL C C 56 174.866 174.866 174.836 0.030 17606 3109 1 8 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.519 0.449 17606 3110 1 8 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.399 0.462 17606 3111 1 8 . 1 1 56 56 VAL H H 56 10.006 10.006 8.915 1.091 17606 3112 1 8 . 1 1 57 57 LYS N N 57 120.466 120.466 120.366 0.100 17606 3113 1 8 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.458 -0.593 17606 3114 1 8 . 1 1 57 57 LYS C C 57 178.120 178.120 178.395 -0.275 17606 3115 1 8 . 1 1 57 57 LYS CA C 57 56.441 56.441 54.915 1.526 17606 3116 1 8 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.733 -0.549 17606 3117 1 8 . 1 1 57 57 LYS H H 57 8.361 8.361 8.443 -0.082 17606 3118 1 8 . 1 1 58 58 ALA N N 58 120.318 120.318 124.184 -3.866 17606 3119 1 8 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.127 0.027 17606 3120 1 8 . 1 1 58 58 ALA C C 58 179.508 179.508 179.311 0.197 17606 3121 1 8 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.449 0.240 17606 3122 1 8 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.848 0.626 17606 3123 1 8 . 1 1 58 58 ALA H H 58 9.064 9.064 9.221 -0.157 17606 3124 1 8 . 1 1 59 59 ASP N N 59 113.824 113.824 115.939 -2.115 17606 3125 1 8 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.478 0.059 17606 3126 1 8 . 1 1 59 59 ASP C C 59 177.499 177.499 176.639 0.860 17606 3127 1 8 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.607 -0.954 17606 3128 1 8 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.493 -0.759 17606 3129 1 8 . 1 1 59 59 ASP H H 59 8.256 8.256 8.736 -0.480 17606 3130 1 8 . 1 1 60 60 ARG N N 60 118.041 118.041 116.891 1.150 17606 3131 1 8 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.379 -0.088 17606 3132 1 8 . 1 1 60 60 ARG C C 60 174.918 174.918 174.635 0.283 17606 3133 1 8 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.841 1.303 17606 3134 1 8 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.691 0.318 17606 3135 1 8 . 1 1 60 60 ARG H H 60 7.931 7.931 7.622 0.309 17606 3136 1 8 . 1 1 61 61 ILE N N 61 118.787 118.787 118.780 0.007 17606 3137 1 8 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.603 -0.486 17606 3138 1 8 . 1 1 61 61 ILE C C 61 175.243 175.243 175.617 -0.374 17606 3139 1 8 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.666 0.747 17606 3140 1 8 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.584 -2.156 17606 3141 1 8 . 1 1 61 61 ILE H H 61 7.463 7.463 7.231 0.232 17606 3142 1 8 . 1 1 62 62 ILE N N 62 127.975 127.975 125.140 2.835 17606 3143 1 8 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.389 -0.233 17606 3144 1 8 . 1 1 62 62 ILE C C 62 175.867 175.867 175.024 0.843 17606 3145 1 8 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.705 0.731 17606 3146 1 8 . 1 1 62 62 ILE CB C 62 38.319 38.319 37.611 0.708 17606 3147 1 8 . 1 1 62 62 ILE H H 62 8.773 8.773 8.825 -0.052 17606 3148 1 8 . 1 1 63 63 TRP N N 63 131.233 131.233 129.579 1.654 17606 3149 1 8 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.642 -0.080 17606 3150 1 8 . 1 1 63 63 TRP C C 63 174.859 174.859 174.387 0.472 17606 3151 1 8 . 1 1 63 63 TRP CA C 63 55.542 55.542 56.860 -1.318 17606 3152 1 8 . 1 1 63 63 TRP CB C 63 28.659 28.659 28.605 0.054 17606 3153 1 8 . 1 1 63 63 TRP H H 63 8.506 8.506 8.219 0.287 17606 3154 1 8 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.481 0.068 17606 3155 1 8 . 1 1 64 64 PRO C C 64 176.966 176.966 176.636 0.330 17606 3156 1 8 . 1 1 64 64 PRO CA C 64 63.131 63.131 62.229 0.902 17606 3157 1 8 . 1 1 64 64 PRO CB C 64 32.025 32.025 32.566 -0.540 17606 3158 1 8 . 1 1 65 65 LEU N N 65 121.886 121.886 114.397 7.489 17606 3159 1 8 . 1 1 65 65 LEU HA H 65 4.333 4.333 3.892 0.441 17606 3160 1 8 . 1 1 65 65 LEU C C 65 177.243 177.243 176.938 0.305 17606 3161 1 8 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.022 0.471 17606 3162 1 8 . 1 1 65 65 LEU CB C 65 42.370 42.370 41.101 1.269 17606 3163 1 8 . 1 1 65 65 LEU H H 65 8.426 8.426 8.267 0.159 17606 3164 1 8 . 1 1 66 66 ASP N N 66 120.509 120.509 118.224 2.285 17606 3165 1 8 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.244 0.334 17606 3166 1 8 . 1 1 66 66 ASP C C 66 176.402 176.402 175.757 0.645 17606 3167 1 8 . 1 1 66 66 ASP CA C 66 54.249 54.249 56.323 -2.074 17606 3168 1 8 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.544 0.612 17606 3169 1 8 . 1 1 66 66 ASP H H 66 8.348 8.348 8.904 -0.556 17606 3170 1 8 . 1 1 67 67 LYS N N 67 121.925 121.925 122.578 -0.653 17606 3171 1 8 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.294 -0.016 17606 3172 1 8 . 1 1 67 67 LYS C C 67 177.158 177.158 176.251 0.907 17606 3173 1 8 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.885 0.714 17606 3174 1 8 . 1 1 67 67 LYS CB C 67 32.753 32.753 31.875 0.878 17606 3175 1 8 . 1 1 67 67 LYS H H 67 8.327 8.327 7.954 0.373 17606 3176 1 8 . 1 1 68 68 GLY N N 68 109.417 109.417 111.014 -1.597 17606 3177 1 8 . 1 1 68 68 GLY C C 68 174.413 174.413 172.534 1.879 17606 3178 1 8 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.245 1.378 17606 3179 1 8 . 1 1 68 68 GLY H H 68 8.558 8.558 7.922 0.636 17606 3180 1 8 . 1 1 69 69 LEU N N 69 120.937 120.937 118.348 2.589 17606 3181 1 8 . 1 1 69 69 LEU HA H 69 4.255 4.255 3.890 0.365 17606 3182 1 8 . 1 1 69 69 LEU C C 69 177.559 177.559 175.873 1.686 17606 3183 1 8 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.385 0.942 17606 3184 1 8 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.332 0.837 17606 3185 1 8 . 1 1 69 69 LEU H H 69 7.972 7.972 7.817 0.155 17606 3186 1 8 . 1 1 70 70 GLU N N 70 120.764 120.764 120.938 -0.174 17606 3187 1 8 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.077 0.049 17606 3188 1 8 . 1 1 70 70 GLU C C 70 176.435 176.435 175.618 0.817 17606 3189 1 8 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.890 0.260 17606 3190 1 8 . 1 1 70 70 GLU CB C 70 29.859 29.859 29.529 0.330 17606 3191 1 8 . 1 1 70 70 GLU H H 70 8.443 8.443 8.580 -0.137 17606 3192 1 8 . 1 1 71 71 HIS N N 71 119.554 119.554 122.666 -3.112 17606 3193 1 8 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.720 -0.122 17606 3194 1 8 . 1 1 71 71 HIS C C 71 174.001 174.001 174.967 -0.966 17606 3195 1 8 . 1 1 71 71 HIS CA C 71 56.078 56.078 54.798 1.280 17606 3196 1 8 . 1 1 71 71 HIS CB C 71 30.551 30.551 32.306 -1.755 17606 3197 1 8 . 1 1 71 71 HIS H H 71 8.223 8.223 8.219 0.004 17606 3198 1 8 . 1 1 72 72 HIS N N 72 125.509 125.509 122.453 3.056 17606 3199 1 8 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.570 -0.156 17606 3200 1 8 . 1 1 72 72 HIS C C 72 179.225 179.225 175.506 3.719 17606 3201 1 8 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.804 -0.441 17606 3202 1 8 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.130 0.320 17606 3203 1 8 . 1 1 72 72 HIS H H 72 8.101 8.101 9.005 -0.904 17606 3204 1 8 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.461 0.083 17606 3205 1 8 . 1 1 73 73 HIS CA C 73 56.078 56.078 56.226 -0.148 17606 3206 1 8 . 1 1 73 73 HIS CB C 73 30.551 30.551 29.761 0.790 17606 3207 1 8 . 1 1 74 74 HIS N N 74 120.202 120.202 120.952 -0.750 17606 3208 1 8 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.700 -0.498 17606 3209 1 8 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.024 1.011 17606 3210 1 8 . 1 1 74 74 HIS CB C 74 30.232 30.232 28.906 1.326 17606 3211 1 8 . 1 1 74 74 HIS H H 74 8.189 8.189 7.442 0.747 17606 3212 1 8 . 1 1 75 75 HIS N N 75 120.367 120.367 125.546 -5.179 17606 3213 1 8 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.722 -0.299 17606 3214 1 8 . 1 1 75 75 HIS CA C 75 55.515 55.515 55.386 0.129 17606 3215 1 8 . 1 1 75 75 HIS CB C 75 33.268 33.268 29.998 3.270 17606 3216 1 8 . 1 1 75 75 HIS H H 75 8.258 8.258 8.255 0.003 17606 3217 1 9 . 1 1 2 2 ASP N N 2 121.539 121.539 122.814 -1.275 17606 3218 1 9 . 1 1 2 2 ASP HA H 2 4.555 4.555 5.116 -0.561 17606 3219 1 9 . 1 1 2 2 ASP C C 2 176.030 176.030 175.280 0.750 17606 3220 1 9 . 1 1 2 2 ASP CA C 2 54.553 54.553 53.879 0.674 17606 3221 1 9 . 1 1 2 2 ASP CB C 2 41.304 41.304 42.378 -1.074 17606 3222 1 9 . 1 1 2 2 ASP H H 2 8.515 8.515 8.526 -0.011 17606 3223 1 9 . 1 1 3 3 MET N N 3 120.469 120.469 118.505 1.964 17606 3224 1 9 . 1 1 3 3 MET HA H 3 4.472 4.472 4.817 -0.345 17606 3225 1 9 . 1 1 3 3 MET C C 3 176.040 176.040 174.911 1.129 17606 3226 1 9 . 1 1 3 3 MET CA C 3 55.373 55.373 54.671 0.702 17606 3227 1 9 . 1 1 3 3 MET CB C 3 33.196 33.196 34.917 -1.721 17606 3228 1 9 . 1 1 3 3 MET H H 3 8.340 8.340 8.070 0.270 17606 3229 1 9 . 1 1 4 4 GLU N N 4 123.512 123.512 123.413 0.099 17606 3230 1 9 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.665 -0.127 17606 3231 1 9 . 1 1 4 4 GLU C C 4 174.592 174.592 175.626 -1.034 17606 3232 1 9 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.208 0.346 17606 3233 1 9 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.296 -0.650 17606 3234 1 9 . 1 1 4 4 GLU H H 4 8.424 8.424 8.563 -0.139 17606 3235 1 9 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.269 0.133 17606 3236 1 9 . 1 1 5 5 PRO C C 5 176.669 176.669 176.567 0.102 17606 3237 1 9 . 1 1 5 5 PRO CA C 5 63.491 63.491 64.758 -1.267 17606 3238 1 9 . 1 1 5 5 PRO CB C 5 32.002 32.002 32.117 -0.115 17606 3239 1 9 . 1 1 6 6 CYS N N 6 119.970 119.970 111.906 8.064 17606 3240 1 9 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.753 -0.231 17606 3241 1 9 . 1 1 6 6 CYS C C 6 175.020 175.020 173.521 1.499 17606 3242 1 9 . 1 1 6 6 CYS CA C 6 58.662 58.662 57.182 1.480 17606 3243 1 9 . 1 1 6 6 CYS CB C 6 27.638 27.638 28.470 -0.832 17606 3244 1 9 . 1 1 6 6 CYS H H 6 8.539 8.539 7.943 0.596 17606 3245 1 9 . 1 1 7 7 LEU N N 7 125.146 125.146 118.601 6.545 17606 3246 1 9 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.024 0.409 17606 3247 1 9 . 1 1 7 7 LEU C C 7 178.244 178.244 176.167 2.077 17606 3248 1 9 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.132 -0.770 17606 3249 1 9 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.127 2.560 17606 3250 1 9 . 1 1 7 7 LEU H H 7 8.649 8.649 8.264 0.385 17606 3251 1 9 . 1 1 8 8 THR N N 8 116.760 116.760 113.669 3.091 17606 3252 1 9 . 1 1 8 8 THR HA H 8 3.966 3.966 4.297 -0.331 17606 3253 1 9 . 1 1 8 8 THR C C 8 175.108 175.108 175.677 -0.569 17606 3254 1 9 . 1 1 8 8 THR CA C 8 64.244 64.244 64.173 0.071 17606 3255 1 9 . 1 1 8 8 THR CB C 8 69.071 69.071 68.971 0.100 17606 3256 1 9 . 1 1 8 8 THR H H 8 8.124 8.124 7.715 0.409 17606 3257 1 9 . 1 1 9 9 GLY N N 9 113.810 113.810 114.001 -0.191 17606 3258 1 9 . 1 1 9 9 GLY C C 9 174.510 174.510 174.641 -0.131 17606 3259 1 9 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.078 -0.066 17606 3260 1 9 . 1 1 9 9 GLY H H 9 9.095 9.095 9.036 0.059 17606 3261 1 9 . 1 1 10 10 THR N N 10 116.938 116.938 120.263 -3.325 17606 3262 1 9 . 1 1 10 10 THR HA H 10 4.179 4.179 4.121 0.058 17606 3263 1 9 . 1 1 10 10 THR C C 10 173.450 173.450 173.923 -0.473 17606 3264 1 9 . 1 1 10 10 THR CA C 10 64.192 64.192 64.035 0.157 17606 3265 1 9 . 1 1 10 10 THR CB C 10 70.093 70.093 68.878 1.215 17606 3266 1 9 . 1 1 10 10 THR H H 10 8.002 8.002 7.500 0.502 17606 3267 1 9 . 1 1 11 11 LYS N N 11 127.263 127.263 128.682 -1.419 17606 3268 1 9 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.541 0.285 17606 3269 1 9 . 1 1 11 11 LYS C C 11 176.157 176.157 175.879 0.278 17606 3270 1 9 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.789 0.952 17606 3271 1 9 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.366 0.189 17606 3272 1 9 . 1 1 11 11 LYS H H 11 8.514 8.514 8.472 0.042 17606 3273 1 9 . 1 1 12 12 VAL N N 12 116.892 116.892 118.782 -1.890 17606 3274 1 9 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.368 0.222 17606 3275 1 9 . 1 1 12 12 VAL C C 12 174.476 174.476 173.868 0.608 17606 3276 1 9 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.738 0.474 17606 3277 1 9 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.941 0.603 17606 3278 1 9 . 1 1 12 12 VAL H H 12 8.738 8.738 8.763 -0.025 17606 3279 1 9 . 1 1 13 13 LYS N N 13 118.427 118.427 120.139 -1.712 17606 3280 1 9 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.860 0.263 17606 3281 1 9 . 1 1 13 13 LYS C C 13 174.853 174.853 174.821 0.032 17606 3282 1 9 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.920 0.063 17606 3283 1 9 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.845 -0.058 17606 3284 1 9 . 1 1 13 13 LYS H H 13 7.677 7.677 7.785 -0.108 17606 3285 1 9 . 1 1 14 14 VAL N N 14 120.913 120.913 124.722 -3.809 17606 3286 1 9 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.397 0.429 17606 3287 1 9 . 1 1 14 14 VAL C C 14 175.645 175.645 173.848 1.797 17606 3288 1 9 . 1 1 14 14 VAL CA C 14 60.391 60.391 61.136 -0.745 17606 3289 1 9 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.501 0.526 17606 3290 1 9 . 1 1 14 14 VAL H H 14 9.178 9.178 9.346 -0.168 17606 3291 1 9 . 1 1 15 15 LYS N N 15 125.862 125.862 126.910 -1.048 17606 3292 1 9 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.812 -0.230 17606 3293 1 9 . 1 1 15 15 LYS C C 15 175.430 175.430 174.175 1.255 17606 3294 1 9 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.286 1.405 17606 3295 1 9 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.585 -0.821 17606 3296 1 9 . 1 1 15 15 LYS H H 15 9.010 9.010 8.550 0.460 17606 3297 1 9 . 1 1 16 16 TYR N N 16 127.499 127.499 127.041 0.458 17606 3298 1 9 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.714 -0.076 17606 3299 1 9 . 1 1 16 16 TYR C C 16 175.096 175.096 173.882 1.214 17606 3300 1 9 . 1 1 16 16 TYR CA C 16 58.348 58.348 56.538 1.810 17606 3301 1 9 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.958 0.535 17606 3302 1 9 . 1 1 16 16 TYR H H 16 9.305 9.305 8.777 0.528 17606 3303 1 9 . 1 1 17 17 GLY N N 17 115.501 115.501 112.930 2.571 17606 3304 1 9 . 1 1 17 17 GLY C C 17 173.380 173.380 171.974 1.406 17606 3305 1 9 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.668 -1.452 17606 3306 1 9 . 1 1 17 17 GLY H H 17 8.383 8.383 8.196 0.187 17606 3307 1 9 . 1 1 18 18 ARG N N 18 117.847 117.847 119.123 -1.276 17606 3308 1 9 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.872 -0.267 17606 3309 1 9 . 1 1 18 18 ARG C C 18 175.941 175.941 177.125 -1.184 17606 3310 1 9 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.415 0.925 17606 3311 1 9 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.542 2.644 17606 3312 1 9 . 1 1 18 18 ARG H H 18 8.305 8.305 8.668 -0.363 17606 3313 1 9 . 1 1 19 19 GLY N N 19 110.572 110.572 116.608 -6.036 17606 3314 1 9 . 1 1 19 19 GLY C C 19 176.227 176.227 174.509 1.718 17606 3315 1 9 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.207 -0.317 17606 3316 1 9 . 1 1 19 19 GLY H H 19 8.857 8.857 8.875 -0.018 17606 3317 1 9 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.386 -0.202 17606 3318 1 9 . 1 1 20 20 LYS C C 20 177.694 177.694 177.864 -0.170 17606 3319 1 9 . 1 1 20 20 LYS CA C 20 58.379 58.379 56.642 1.737 17606 3320 1 9 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.970 -0.477 17606 3321 1 9 . 1 1 20 20 LYS H H 20 6.723 6.723 8.454 -1.731 17606 3322 1 9 . 1 1 21 21 THR N N 21 108.329 108.329 114.374 -6.045 17606 3323 1 9 . 1 1 21 21 THR HA H 21 4.437 4.437 4.252 0.185 17606 3324 1 9 . 1 1 21 21 THR C C 21 173.999 173.999 173.744 0.255 17606 3325 1 9 . 1 1 21 21 THR CA C 21 60.895 60.895 61.467 -0.572 17606 3326 1 9 . 1 1 21 21 THR CB C 21 68.907 68.907 67.791 1.116 17606 3327 1 9 . 1 1 21 21 THR H H 21 7.839 7.839 7.752 0.087 17606 3328 1 9 . 1 1 22 22 GLN N N 22 123.126 123.126 121.548 1.578 17606 3329 1 9 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.392 0.038 17606 3330 1 9 . 1 1 22 22 GLN C C 22 175.190 175.190 175.048 0.142 17606 3331 1 9 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.509 1.286 17606 3332 1 9 . 1 1 22 22 GLN CB C 22 31.031 31.031 28.841 2.190 17606 3333 1 9 . 1 1 22 22 GLN H H 22 7.503 7.503 7.545 -0.042 17606 3334 1 9 . 1 1 23 23 LYS N N 23 126.763 126.763 125.940 0.823 17606 3335 1 9 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.432 0.105 17606 3336 1 9 . 1 1 23 23 LYS C C 23 174.087 174.087 174.060 0.027 17606 3337 1 9 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.113 0.331 17606 3338 1 9 . 1 1 23 23 LYS CB C 23 36.495 36.495 32.967 3.528 17606 3339 1 9 . 1 1 23 23 LYS H H 23 8.937 8.937 8.176 0.761 17606 3340 1 9 . 1 1 24 24 ILE N N 24 120.287 120.287 125.245 -4.958 17606 3341 1 9 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.870 -0.120 17606 3342 1 9 . 1 1 24 24 ILE C C 24 175.772 175.772 175.535 0.237 17606 3343 1 9 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.919 0.001 17606 3344 1 9 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.756 0.498 17606 3345 1 9 . 1 1 24 24 ILE H H 24 7.980 7.980 8.376 -0.396 17606 3346 1 9 . 1 1 25 25 TYR N N 25 126.020 126.020 126.224 -0.204 17606 3347 1 9 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.030 0.041 17606 3348 1 9 . 1 1 25 25 TYR C C 25 175.859 175.859 173.688 2.171 17606 3349 1 9 . 1 1 25 25 TYR CA C 25 55.860 55.860 53.864 1.996 17606 3350 1 9 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.010 2.457 17606 3351 1 9 . 1 1 25 25 TYR H H 25 8.885 8.885 9.148 -0.263 17606 3352 1 9 . 1 1 26 26 GLU N N 26 121.186 121.186 119.669 1.517 17606 3353 1 9 . 1 1 26 26 GLU HA H 26 4.642 4.642 4.934 -0.292 17606 3354 1 9 . 1 1 26 26 GLU C C 26 176.001 176.001 175.385 0.616 17606 3355 1 9 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.374 1.754 17606 3356 1 9 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.331 -1.608 17606 3357 1 9 . 1 1 26 26 GLU H H 26 8.915 8.915 8.838 0.077 17606 3358 1 9 . 1 1 27 27 ALA N N 27 125.281 125.281 126.710 -1.429 17606 3359 1 9 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.803 0.167 17606 3360 1 9 . 1 1 27 27 ALA C C 27 175.178 175.178 175.060 0.118 17606 3361 1 9 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.281 1.034 17606 3362 1 9 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.461 2.194 17606 3363 1 9 . 1 1 27 27 ALA H H 27 8.834 8.834 8.997 -0.163 17606 3364 1 9 . 1 1 28 28 SER N N 28 112.133 112.133 112.800 -0.667 17606 3365 1 9 . 1 1 28 28 SER HA H 28 5.328 5.328 5.228 0.100 17606 3366 1 9 . 1 1 28 28 SER C C 28 174.404 174.404 174.044 0.360 17606 3367 1 9 . 1 1 28 28 SER CA C 28 56.133 56.133 55.988 0.145 17606 3368 1 9 . 1 1 28 28 SER CB C 28 66.075 66.075 65.294 0.781 17606 3369 1 9 . 1 1 28 28 SER H H 28 8.529 8.529 8.295 0.234 17606 3370 1 9 . 1 1 29 29 ILE N N 29 122.044 122.044 125.213 -3.169 17606 3371 1 9 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.885 0.257 17606 3372 1 9 . 1 1 29 29 ILE C C 29 176.473 176.473 176.029 0.444 17606 3373 1 9 . 1 1 29 29 ILE CA C 29 61.561 61.561 61.518 0.043 17606 3374 1 9 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.724 1.300 17606 3375 1 9 . 1 1 29 29 ILE H H 29 8.431 8.431 9.061 -0.630 17606 3376 1 9 . 1 1 30 30 LYS N N 30 128.795 128.795 128.406 0.389 17606 3377 1 9 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.326 0.084 17606 3378 1 9 . 1 1 30 30 LYS C C 30 176.559 176.559 176.008 0.551 17606 3379 1 9 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.582 0.427 17606 3380 1 9 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.814 -0.933 17606 3381 1 9 . 1 1 30 30 LYS H H 30 9.687 9.687 9.005 0.682 17606 3382 1 9 . 1 1 31 31 SER N N 31 111.044 111.044 112.219 -1.175 17606 3383 1 9 . 1 1 31 31 SER HA H 31 4.671 4.671 5.035 -0.364 17606 3384 1 9 . 1 1 31 31 SER C C 31 172.457 172.457 172.626 -0.169 17606 3385 1 9 . 1 1 31 31 SER CA C 31 57.353 57.353 57.927 -0.574 17606 3386 1 9 . 1 1 31 31 SER CB C 31 64.824 64.824 66.950 -2.126 17606 3387 1 9 . 1 1 31 31 SER H H 31 7.537 7.537 7.473 0.064 17606 3388 1 9 . 1 1 32 32 THR N N 32 113.911 113.911 115.558 -1.647 17606 3389 1 9 . 1 1 32 32 THR HA H 32 5.564 5.564 5.130 0.434 17606 3390 1 9 . 1 1 32 32 THR C C 32 173.003 173.003 173.313 -0.310 17606 3391 1 9 . 1 1 32 32 THR CA C 32 60.589 60.589 60.656 -0.067 17606 3392 1 9 . 1 1 32 32 THR CB C 32 72.217 72.217 72.283 -0.066 17606 3393 1 9 . 1 1 32 32 THR H H 32 8.237 8.237 8.304 -0.067 17606 3394 1 9 . 1 1 33 33 GLU N N 33 123.514 123.514 121.276 2.238 17606 3395 1 9 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.697 -0.069 17606 3396 1 9 . 1 1 33 33 GLU C C 33 173.487 173.487 174.535 -1.048 17606 3397 1 9 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.256 0.200 17606 3398 1 9 . 1 1 33 33 GLU CB C 33 34.099 34.099 32.819 1.280 17606 3399 1 9 . 1 1 33 33 GLU H H 33 8.970 8.970 9.064 -0.094 17606 3400 1 9 . 1 1 34 34 ILE N N 34 122.095 122.095 120.813 1.282 17606 3401 1 9 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.917 -0.182 17606 3402 1 9 . 1 1 34 34 ILE C C 34 175.620 175.620 175.300 0.320 17606 3403 1 9 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.109 -0.062 17606 3404 1 9 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.623 -0.966 17606 3405 1 9 . 1 1 34 34 ILE H H 34 8.505 8.505 8.511 -0.006 17606 3406 1 9 . 1 1 35 35 ASP N N 35 127.840 127.840 127.639 0.201 17606 3407 1 9 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.858 -0.085 17606 3408 1 9 . 1 1 35 35 ASP C C 35 175.804 175.804 175.727 0.077 17606 3409 1 9 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.407 -0.172 17606 3410 1 9 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.885 -0.466 17606 3411 1 9 . 1 1 35 35 ASP H H 35 8.948 8.948 9.248 -0.300 17606 3412 1 9 . 1 1 36 36 ASP N N 36 127.315 127.315 125.861 1.454 17606 3413 1 9 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.331 -0.068 17606 3414 1 9 . 1 1 36 36 ASP C C 36 175.993 175.993 176.305 -0.312 17606 3415 1 9 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.581 0.539 17606 3416 1 9 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.653 -0.994 17606 3417 1 9 . 1 1 36 36 ASP H H 36 9.065 9.065 8.817 0.248 17606 3418 1 9 . 1 1 37 37 GLY N N 37 103.112 103.112 103.667 -0.555 17606 3419 1 9 . 1 1 37 37 GLY C C 37 173.541 173.541 173.723 -0.182 17606 3420 1 9 . 1 1 37 37 GLY CA C 37 45.471 45.471 44.984 0.487 17606 3421 1 9 . 1 1 37 37 GLY H H 37 8.045 8.045 8.205 -0.160 17606 3422 1 9 . 1 1 38 38 GLU N N 38 121.172 121.172 120.659 0.513 17606 3423 1 9 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.690 -0.039 17606 3424 1 9 . 1 1 38 38 GLU C C 38 174.246 174.246 175.060 -0.814 17606 3425 1 9 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.544 0.175 17606 3426 1 9 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.823 0.382 17606 3427 1 9 . 1 1 38 38 GLU H H 38 7.769 7.769 7.906 -0.137 17606 3428 1 9 . 1 1 39 39 VAL N N 39 123.983 123.983 122.839 1.144 17606 3429 1 9 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.614 -0.404 17606 3430 1 9 . 1 1 39 39 VAL C C 39 174.546 174.546 175.346 -0.800 17606 3431 1 9 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.586 1.455 17606 3432 1 9 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.151 0.118 17606 3433 1 9 . 1 1 39 39 VAL H H 39 8.455 8.455 8.796 -0.341 17606 3434 1 9 . 1 1 40 40 LEU N N 40 127.105 127.105 127.831 -0.726 17606 3435 1 9 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.139 -0.047 17606 3436 1 9 . 1 1 40 40 LEU C C 40 175.819 175.819 175.917 -0.098 17606 3437 1 9 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.720 -0.467 17606 3438 1 9 . 1 1 40 40 LEU CB C 40 46.490 46.490 43.972 2.518 17606 3439 1 9 . 1 1 40 40 LEU H H 40 8.947 8.947 9.141 -0.194 17606 3440 1 9 . 1 1 41 41 TYR N N 41 119.021 119.021 121.665 -2.644 17606 3441 1 9 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.108 -0.001 17606 3442 1 9 . 1 1 41 41 TYR C C 41 173.968 173.968 174.538 -0.570 17606 3443 1 9 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.054 -0.198 17606 3444 1 9 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.413 -0.271 17606 3445 1 9 . 1 1 41 41 TYR H H 41 9.337 9.337 9.427 -0.090 17606 3446 1 9 . 1 1 42 42 LEU N N 42 128.770 128.770 123.568 5.202 17606 3447 1 9 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.541 -0.568 17606 3448 1 9 . 1 1 42 42 LEU C C 42 175.491 175.491 174.298 1.193 17606 3449 1 9 . 1 1 42 42 LEU CA C 42 53.367 53.367 53.081 0.286 17606 3450 1 9 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.100 -3.405 17606 3451 1 9 . 1 1 42 42 LEU H H 42 8.304 8.304 8.917 -0.613 17606 3452 1 9 . 1 1 43 43 VAL N N 43 121.269 121.269 126.981 -5.712 17606 3453 1 9 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.522 0.458 17606 3454 1 9 . 1 1 43 43 VAL C C 43 173.257 173.257 173.404 -0.147 17606 3455 1 9 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.104 -0.793 17606 3456 1 9 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.252 -1.198 17606 3457 1 9 . 1 1 43 43 VAL H H 43 8.847 8.847 8.705 0.142 17606 3458 1 9 . 1 1 44 44 HIS N N 44 118.126 118.126 124.689 -6.563 17606 3459 1 9 . 1 1 44 44 HIS C C 44 174.272 174.272 174.264 0.008 17606 3460 1 9 . 1 1 44 44 HIS CA C 44 53.319 53.319 54.036 -0.717 17606 3461 1 9 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.410 -1.394 17606 3462 1 9 . 1 1 44 44 HIS H H 44 8.286 8.286 8.715 -0.429 17606 3463 1 9 . 1 1 45 45 TYR N N 45 127.711 127.711 124.351 3.360 17606 3464 1 9 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.693 -0.594 17606 3465 1 9 . 1 1 45 45 TYR C C 45 175.343 175.343 175.761 -0.418 17606 3466 1 9 . 1 1 45 45 TYR CA C 45 58.240 58.240 57.614 0.626 17606 3467 1 9 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.694 -0.194 17606 3468 1 9 . 1 1 45 45 TYR H H 45 8.013 8.013 8.873 -0.860 17606 3469 1 9 . 1 1 46 46 TYR N N 46 121.373 121.373 126.684 -5.311 17606 3470 1 9 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.365 -0.151 17606 3471 1 9 . 1 1 46 46 TYR CA C 46 58.945 58.945 58.479 0.466 17606 3472 1 9 . 1 1 46 46 TYR CB C 46 38.400 38.400 36.355 2.045 17606 3473 1 9 . 1 1 46 46 TYR H H 46 7.842 7.842 8.746 -0.904 17606 3474 1 9 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.106 0.041 17606 3475 1 9 . 1 1 48 48 TRP N N 48 121.413 121.413 121.263 0.150 17606 3476 1 9 . 1 1 48 48 TRP CA C 48 55.966 55.966 57.644 -1.678 17606 3477 1 9 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.507 -0.108 17606 3478 1 9 . 1 1 48 48 TRP H H 48 8.105 8.105 8.092 0.013 17606 3479 1 9 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.578 -0.404 17606 3480 1 9 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.205 -0.322 17606 3481 1 9 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.298 -0.074 17606 3482 1 9 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.233 -0.115 17606 3483 1 9 . 1 1 51 51 ARG C C 51 176.010 176.010 177.191 -1.181 17606 3484 1 9 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.044 0.960 17606 3485 1 9 . 1 1 51 51 ARG CB C 51 29.934 29.934 28.874 1.060 17606 3486 1 9 . 1 1 52 52 TYR N N 52 119.263 119.263 118.234 1.029 17606 3487 1 9 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.343 0.293 17606 3488 1 9 . 1 1 52 52 TYR CA C 52 58.000 58.000 60.001 -2.001 17606 3489 1 9 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.708 0.096 17606 3490 1 9 . 1 1 52 52 TYR H H 52 7.860 7.860 7.801 0.059 17606 3491 1 9 . 1 1 53 53 ASP N N 53 122.103 122.103 118.857 3.246 17606 3492 1 9 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.310 0.667 17606 3493 1 9 . 1 1 53 53 ASP CA C 53 55.272 55.272 55.487 -0.215 17606 3494 1 9 . 1 1 53 53 ASP CB C 53 40.304 40.304 40.266 0.038 17606 3495 1 9 . 1 1 53 53 ASP H H 53 8.014 8.014 8.043 -0.029 17606 3496 1 9 . 1 1 54 54 GLU N N 54 119.733 119.733 121.561 -1.828 17606 3497 1 9 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.851 -0.078 17606 3498 1 9 . 1 1 54 54 GLU C C 54 174.099 174.099 174.997 -0.898 17606 3499 1 9 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.891 -0.013 17606 3500 1 9 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.958 0.173 17606 3501 1 9 . 1 1 54 54 GLU H H 54 8.018 8.018 7.671 0.347 17606 3502 1 9 . 1 1 55 55 TRP N N 55 124.675 124.675 125.018 -0.343 17606 3503 1 9 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.821 -0.577 17606 3504 1 9 . 1 1 55 55 TRP C C 55 177.088 177.088 175.769 1.319 17606 3505 1 9 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.288 0.102 17606 3506 1 9 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.169 -0.756 17606 3507 1 9 . 1 1 55 55 TRP H H 55 8.760 8.760 8.922 -0.162 17606 3508 1 9 . 1 1 56 56 VAL N N 56 119.873 119.873 121.934 -2.061 17606 3509 1 9 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.891 0.033 17606 3510 1 9 . 1 1 56 56 VAL C C 56 174.866 174.866 174.889 -0.023 17606 3511 1 9 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.719 0.249 17606 3512 1 9 . 1 1 56 56 VAL CB C 56 35.861 35.861 36.381 -0.520 17606 3513 1 9 . 1 1 56 56 VAL H H 56 10.006 10.006 8.803 1.203 17606 3514 1 9 . 1 1 57 57 LYS N N 57 120.466 120.466 126.099 -5.633 17606 3515 1 9 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.011 -0.146 17606 3516 1 9 . 1 1 57 57 LYS C C 57 178.120 178.120 178.228 -0.108 17606 3517 1 9 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.809 -0.368 17606 3518 1 9 . 1 1 57 57 LYS CB C 57 34.184 34.184 33.199 0.985 17606 3519 1 9 . 1 1 57 57 LYS H H 57 8.361 8.361 8.556 -0.195 17606 3520 1 9 . 1 1 58 58 ALA N N 58 120.318 120.318 125.624 -5.306 17606 3521 1 9 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.139 0.015 17606 3522 1 9 . 1 1 58 58 ALA C C 58 179.508 179.508 178.735 0.773 17606 3523 1 9 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.633 0.056 17606 3524 1 9 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.960 0.514 17606 3525 1 9 . 1 1 58 58 ALA H H 58 9.064 9.064 8.717 0.347 17606 3526 1 9 . 1 1 59 59 ASP N N 59 113.824 113.824 113.822 0.002 17606 3527 1 9 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.629 -0.092 17606 3528 1 9 . 1 1 59 59 ASP C C 59 177.499 177.499 176.516 0.983 17606 3529 1 9 . 1 1 59 59 ASP CA C 59 55.653 55.653 55.244 0.409 17606 3530 1 9 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.318 -0.584 17606 3531 1 9 . 1 1 59 59 ASP H H 59 8.256 8.256 8.641 -0.385 17606 3532 1 9 . 1 1 60 60 ARG N N 60 118.041 118.041 118.109 -0.068 17606 3533 1 9 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.427 -0.136 17606 3534 1 9 . 1 1 60 60 ARG C C 60 174.918 174.918 174.760 0.158 17606 3535 1 9 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.892 1.252 17606 3536 1 9 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.813 0.196 17606 3537 1 9 . 1 1 60 60 ARG H H 60 7.931 7.931 7.553 0.378 17606 3538 1 9 . 1 1 61 61 ILE N N 61 118.787 118.787 118.976 -0.189 17606 3539 1 9 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.473 -0.356 17606 3540 1 9 . 1 1 61 61 ILE C C 61 175.243 175.243 175.294 -0.051 17606 3541 1 9 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.739 0.674 17606 3542 1 9 . 1 1 61 61 ILE CB C 61 38.428 38.428 41.371 -2.943 17606 3543 1 9 . 1 1 61 61 ILE H H 61 7.463 7.463 7.313 0.150 17606 3544 1 9 . 1 1 62 62 ILE N N 62 127.975 127.975 124.591 3.384 17606 3545 1 9 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.382 -0.226 17606 3546 1 9 . 1 1 62 62 ILE C C 62 175.867 175.867 174.701 1.166 17606 3547 1 9 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.936 0.500 17606 3548 1 9 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.340 -0.021 17606 3549 1 9 . 1 1 62 62 ILE H H 62 8.773 8.773 8.986 -0.213 17606 3550 1 9 . 1 1 63 63 TRP N N 63 131.233 131.233 129.606 1.627 17606 3551 1 9 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.836 -0.274 17606 3552 1 9 . 1 1 63 63 TRP C C 63 174.859 174.859 174.507 0.352 17606 3553 1 9 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.444 0.098 17606 3554 1 9 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.308 -0.649 17606 3555 1 9 . 1 1 63 63 TRP H H 63 8.506 8.506 8.490 0.016 17606 3556 1 9 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.567 -0.018 17606 3557 1 9 . 1 1 64 64 PRO C C 64 176.966 176.966 175.676 1.290 17606 3558 1 9 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.444 -0.313 17606 3559 1 9 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.779 0.246 17606 3560 1 9 . 1 1 65 65 LEU N N 65 121.886 121.886 127.549 -5.663 17606 3561 1 9 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.369 -0.036 17606 3562 1 9 . 1 1 65 65 LEU C C 65 177.243 177.243 176.550 0.693 17606 3563 1 9 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.676 -0.184 17606 3564 1 9 . 1 1 65 65 LEU CB C 65 42.370 42.370 42.653 -0.283 17606 3565 1 9 . 1 1 65 65 LEU H H 65 8.426 8.426 8.322 0.104 17606 3566 1 9 . 1 1 66 66 ASP N N 66 120.509 120.509 124.424 -3.915 17606 3567 1 9 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.321 0.257 17606 3568 1 9 . 1 1 66 66 ASP C C 66 176.402 176.402 176.323 0.079 17606 3569 1 9 . 1 1 66 66 ASP CA C 66 54.249 54.249 56.015 -1.766 17606 3570 1 9 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.523 0.633 17606 3571 1 9 . 1 1 66 66 ASP H H 66 8.348 8.348 8.870 -0.522 17606 3572 1 9 . 1 1 67 67 LYS N N 67 121.925 121.925 121.335 0.590 17606 3573 1 9 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.120 0.158 17606 3574 1 9 . 1 1 67 67 LYS C C 67 177.158 177.158 176.173 0.985 17606 3575 1 9 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.839 -0.240 17606 3576 1 9 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.278 0.475 17606 3577 1 9 . 1 1 67 67 LYS H H 67 8.327 8.327 8.244 0.083 17606 3578 1 9 . 1 1 68 68 GLY N N 68 109.417 109.417 112.809 -3.392 17606 3579 1 9 . 1 1 68 68 GLY C C 68 174.413 174.413 173.703 0.710 17606 3580 1 9 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.666 0.957 17606 3581 1 9 . 1 1 68 68 GLY H H 68 8.558 8.558 8.711 -0.153 17606 3582 1 9 . 1 1 69 69 LEU N N 69 120.937 120.937 124.252 -3.315 17606 3583 1 9 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.378 -0.123 17606 3584 1 9 . 1 1 69 69 LEU C C 69 177.559 177.559 177.898 -0.339 17606 3585 1 9 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.372 0.954 17606 3586 1 9 . 1 1 69 69 LEU CB C 69 42.169 42.169 40.839 1.330 17606 3587 1 9 . 1 1 69 69 LEU H H 69 7.972 7.972 7.776 0.196 17606 3588 1 9 . 1 1 70 70 GLU N N 70 120.764 120.764 121.469 -0.705 17606 3589 1 9 . 1 1 70 70 GLU HA H 70 4.126 4.126 3.882 0.244 17606 3590 1 9 . 1 1 70 70 GLU C C 70 176.435 176.435 176.110 0.325 17606 3591 1 9 . 1 1 70 70 GLU CA C 70 57.150 57.150 58.974 -1.824 17606 3592 1 9 . 1 1 70 70 GLU CB C 70 29.859 29.859 28.195 1.664 17606 3593 1 9 . 1 1 70 70 GLU H H 70 8.443 8.443 9.267 -0.824 17606 3594 1 9 . 1 1 71 71 HIS N N 71 119.554 119.554 120.288 -0.734 17606 3595 1 9 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.979 -0.381 17606 3596 1 9 . 1 1 71 71 HIS C C 71 174.001 174.001 174.215 -0.214 17606 3597 1 9 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.043 1.035 17606 3598 1 9 . 1 1 71 71 HIS CB C 71 30.551 30.551 28.986 1.565 17606 3599 1 9 . 1 1 71 71 HIS H H 71 8.223 8.223 8.153 0.070 17606 3600 1 9 . 1 1 72 72 HIS N N 72 125.509 125.509 122.573 2.936 17606 3601 1 9 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.433 -0.019 17606 3602 1 9 . 1 1 72 72 HIS C C 72 179.225 179.225 175.465 3.760 17606 3603 1 9 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.395 -0.032 17606 3604 1 9 . 1 1 72 72 HIS CB C 72 30.450 30.450 31.395 -0.945 17606 3605 1 9 . 1 1 72 72 HIS H H 72 8.101 8.101 8.459 -0.358 17606 3606 1 9 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.315 0.229 17606 3607 1 9 . 1 1 73 73 HIS CA C 73 56.078 56.078 58.252 -2.174 17606 3608 1 9 . 1 1 73 73 HIS CB C 73 30.551 30.551 30.259 0.292 17606 3609 1 9 . 1 1 74 74 HIS N N 74 120.202 120.202 118.939 1.263 17606 3610 1 9 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.675 -0.473 17606 3611 1 9 . 1 1 74 74 HIS CA C 74 56.035 56.035 54.537 1.498 17606 3612 1 9 . 1 1 74 74 HIS CB C 74 30.232 30.232 29.031 1.201 17606 3613 1 9 . 1 1 74 74 HIS H H 74 8.189 8.189 8.205 -0.016 17606 3614 1 9 . 1 1 75 75 HIS N N 75 120.367 120.367 123.545 -3.178 17606 3615 1 9 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.798 -0.375 17606 3616 1 9 . 1 1 75 75 HIS CA C 75 55.515 55.515 54.467 1.048 17606 3617 1 9 . 1 1 75 75 HIS CB C 75 33.268 33.268 29.140 4.128 17606 3618 1 9 . 1 1 75 75 HIS H H 75 8.258 8.258 8.640 -0.382 17606 3619 1 10 . 1 1 2 2 ASP N N 2 121.539 121.539 123.086 -1.547 17606 3620 1 10 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.840 -0.285 17606 3621 1 10 . 1 1 2 2 ASP C C 2 176.030 176.030 175.135 0.895 17606 3622 1 10 . 1 1 2 2 ASP CA C 2 54.553 54.553 55.217 -0.664 17606 3623 1 10 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.195 0.109 17606 3624 1 10 . 1 1 2 2 ASP H H 2 8.515 8.515 8.314 0.201 17606 3625 1 10 . 1 1 3 3 MET N N 3 120.469 120.469 121.038 -0.569 17606 3626 1 10 . 1 1 3 3 MET HA H 3 4.472 4.472 4.578 -0.106 17606 3627 1 10 . 1 1 3 3 MET C C 3 176.040 176.040 174.574 1.466 17606 3628 1 10 . 1 1 3 3 MET CA C 3 55.373 55.373 56.037 -0.664 17606 3629 1 10 . 1 1 3 3 MET CB C 3 33.196 33.196 32.971 0.225 17606 3630 1 10 . 1 1 3 3 MET H H 3 8.340 8.340 7.973 0.367 17606 3631 1 10 . 1 1 4 4 GLU N N 4 123.512 123.512 125.128 -1.616 17606 3632 1 10 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.757 -0.219 17606 3633 1 10 . 1 1 4 4 GLU C C 4 174.592 174.592 174.685 -0.093 17606 3634 1 10 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.427 1.127 17606 3635 1 10 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.622 -0.976 17606 3636 1 10 . 1 1 4 4 GLU H H 4 8.424 8.424 8.493 -0.069 17606 3637 1 10 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.493 -0.091 17606 3638 1 10 . 1 1 5 5 PRO C C 5 176.669 176.669 176.162 0.507 17606 3639 1 10 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.072 0.419 17606 3640 1 10 . 1 1 5 5 PRO CB C 5 32.002 32.002 30.942 1.060 17606 3641 1 10 . 1 1 6 6 CYS N N 6 119.970 119.970 121.732 -1.762 17606 3642 1 10 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.492 0.030 17606 3643 1 10 . 1 1 6 6 CYS C C 6 175.020 175.020 176.777 -1.757 17606 3644 1 10 . 1 1 6 6 CYS CA C 6 58.662 58.662 58.073 0.589 17606 3645 1 10 . 1 1 6 6 CYS CB C 6 27.638 27.638 29.274 -1.636 17606 3646 1 10 . 1 1 6 6 CYS H H 6 8.539 8.539 7.976 0.563 17606 3647 1 10 . 1 1 7 7 LEU N N 7 125.146 125.146 117.079 8.067 17606 3648 1 10 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.392 0.041 17606 3649 1 10 . 1 1 7 7 LEU C C 7 178.244 178.244 177.483 0.761 17606 3650 1 10 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.741 -1.380 17606 3651 1 10 . 1 1 7 7 LEU CB C 7 42.687 42.687 41.751 0.936 17606 3652 1 10 . 1 1 7 7 LEU H H 7 8.649 8.649 8.329 0.320 17606 3653 1 10 . 1 1 8 8 THR N N 8 116.760 116.760 115.368 1.392 17606 3654 1 10 . 1 1 8 8 THR HA H 8 3.966 3.966 4.246 -0.280 17606 3655 1 10 . 1 1 8 8 THR C C 8 175.108 175.108 175.720 -0.612 17606 3656 1 10 . 1 1 8 8 THR CA C 8 64.244 64.244 64.344 -0.100 17606 3657 1 10 . 1 1 8 8 THR CB C 8 69.071 69.071 67.904 1.167 17606 3658 1 10 . 1 1 8 8 THR H H 8 8.124 8.124 7.601 0.523 17606 3659 1 10 . 1 1 9 9 GLY N N 9 113.810 113.810 115.688 -1.878 17606 3660 1 10 . 1 1 9 9 GLY C C 9 174.510 174.510 174.422 0.088 17606 3661 1 10 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.909 0.103 17606 3662 1 10 . 1 1 9 9 GLY H H 9 9.095 9.095 9.052 0.043 17606 3663 1 10 . 1 1 10 10 THR N N 10 116.938 116.938 120.324 -3.386 17606 3664 1 10 . 1 1 10 10 THR HA H 10 4.179 4.179 4.282 -0.103 17606 3665 1 10 . 1 1 10 10 THR C C 10 173.450 173.450 173.592 -0.142 17606 3666 1 10 . 1 1 10 10 THR CA C 10 64.192 64.192 63.028 1.164 17606 3667 1 10 . 1 1 10 10 THR CB C 10 70.093 70.093 69.607 0.486 17606 3668 1 10 . 1 1 10 10 THR H H 10 8.002 8.002 7.965 0.037 17606 3669 1 10 . 1 1 11 11 LYS N N 11 127.263 127.263 128.156 -0.893 17606 3670 1 10 . 1 1 11 11 LYS HA H 11 4.826 4.826 5.027 -0.201 17606 3671 1 10 . 1 1 11 11 LYS C C 11 176.157 176.157 176.051 0.106 17606 3672 1 10 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.172 1.569 17606 3673 1 10 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.675 -0.120 17606 3674 1 10 . 1 1 11 11 LYS H H 11 8.514 8.514 8.473 0.041 17606 3675 1 10 . 1 1 12 12 VAL N N 12 116.892 116.892 118.748 -1.856 17606 3676 1 10 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.438 0.152 17606 3677 1 10 . 1 1 12 12 VAL C C 12 174.476 174.476 174.410 0.066 17606 3678 1 10 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.924 0.288 17606 3679 1 10 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.334 1.210 17606 3680 1 10 . 1 1 12 12 VAL H H 12 8.738 8.738 8.817 -0.079 17606 3681 1 10 . 1 1 13 13 LYS N N 13 118.427 118.427 119.505 -1.078 17606 3682 1 10 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.229 -0.106 17606 3683 1 10 . 1 1 13 13 LYS C C 13 174.853 174.853 175.507 -0.654 17606 3684 1 10 . 1 1 13 13 LYS CA C 13 54.983 54.983 55.092 -0.109 17606 3685 1 10 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.257 0.530 17606 3686 1 10 . 1 1 13 13 LYS H H 13 7.677 7.677 8.251 -0.574 17606 3687 1 10 . 1 1 14 14 VAL N N 14 120.913 120.913 122.960 -2.047 17606 3688 1 10 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.629 0.197 17606 3689 1 10 . 1 1 14 14 VAL C C 14 175.645 175.645 174.212 1.433 17606 3690 1 10 . 1 1 14 14 VAL CA C 14 60.391 60.391 61.420 -1.029 17606 3691 1 10 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.634 1.393 17606 3692 1 10 . 1 1 14 14 VAL H H 14 9.178 9.178 9.211 -0.033 17606 3693 1 10 . 1 1 15 15 LYS N N 15 125.862 125.862 128.315 -2.453 17606 3694 1 10 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.945 -0.363 17606 3695 1 10 . 1 1 15 15 LYS C C 15 175.430 175.430 174.386 1.044 17606 3696 1 10 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.044 1.647 17606 3697 1 10 . 1 1 15 15 LYS CB C 15 33.764 33.764 33.968 -0.204 17606 3698 1 10 . 1 1 15 15 LYS H H 15 9.010 9.010 9.282 -0.272 17606 3699 1 10 . 1 1 16 16 TYR N N 16 127.499 127.499 128.099 -0.600 17606 3700 1 10 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.871 -0.233 17606 3701 1 10 . 1 1 16 16 TYR C C 16 175.096 175.096 173.792 1.304 17606 3702 1 10 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.418 0.930 17606 3703 1 10 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.917 0.576 17606 3704 1 10 . 1 1 16 16 TYR H H 16 9.305 9.305 9.217 0.088 17606 3705 1 10 . 1 1 17 17 GLY N N 17 115.501 115.501 114.455 1.046 17606 3706 1 10 . 1 1 17 17 GLY C C 17 173.380 173.380 171.814 1.566 17606 3707 1 10 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.655 -1.439 17606 3708 1 10 . 1 1 17 17 GLY H H 17 8.383 8.383 7.792 0.591 17606 3709 1 10 . 1 1 18 18 ARG N N 18 117.847 117.847 120.251 -2.404 17606 3710 1 10 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.743 -0.138 17606 3711 1 10 . 1 1 18 18 ARG C C 18 175.941 175.941 177.294 -1.353 17606 3712 1 10 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.462 0.878 17606 3713 1 10 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.065 3.121 17606 3714 1 10 . 1 1 18 18 ARG H H 18 8.305 8.305 8.391 -0.086 17606 3715 1 10 . 1 1 19 19 GLY N N 19 110.572 110.572 116.498 -5.926 17606 3716 1 10 . 1 1 19 19 GLY C C 19 176.227 176.227 175.041 1.186 17606 3717 1 10 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.587 -0.697 17606 3718 1 10 . 1 1 19 19 GLY H H 19 8.857 8.857 8.766 0.091 17606 3719 1 10 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.202 -0.018 17606 3720 1 10 . 1 1 20 20 LYS C C 20 177.694 177.694 178.855 -1.161 17606 3721 1 10 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.995 0.384 17606 3722 1 10 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.711 -0.218 17606 3723 1 10 . 1 1 20 20 LYS H H 20 6.723 6.723 8.370 -1.647 17606 3724 1 10 . 1 1 21 21 THR N N 21 108.329 108.329 118.424 -10.095 17606 3725 1 10 . 1 1 21 21 THR HA H 21 4.437 4.437 4.252 0.185 17606 3726 1 10 . 1 1 21 21 THR C C 21 173.999 173.999 173.310 0.689 17606 3727 1 10 . 1 1 21 21 THR CA C 21 60.895 60.895 61.865 -0.970 17606 3728 1 10 . 1 1 21 21 THR CB C 21 68.907 68.907 68.123 0.784 17606 3729 1 10 . 1 1 21 21 THR H H 21 7.839 7.839 7.846 -0.007 17606 3730 1 10 . 1 1 22 22 GLN N N 22 123.126 123.126 122.634 0.492 17606 3731 1 10 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.257 0.173 17606 3732 1 10 . 1 1 22 22 GLN C C 22 175.190 175.190 174.550 0.640 17606 3733 1 10 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.508 1.287 17606 3734 1 10 . 1 1 22 22 GLN CB C 22 31.031 31.031 28.754 2.277 17606 3735 1 10 . 1 1 22 22 GLN H H 22 7.503 7.503 7.428 0.075 17606 3736 1 10 . 1 1 23 23 LYS N N 23 126.763 126.763 127.421 -0.658 17606 3737 1 10 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.436 0.101 17606 3738 1 10 . 1 1 23 23 LYS C C 23 174.087 174.087 174.636 -0.549 17606 3739 1 10 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.969 -0.525 17606 3740 1 10 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.101 1.394 17606 3741 1 10 . 1 1 23 23 LYS H H 23 8.937 8.937 8.026 0.911 17606 3742 1 10 . 1 1 24 24 ILE N N 24 120.287 120.287 123.814 -3.527 17606 3743 1 10 . 1 1 24 24 ILE HA H 24 4.750 4.750 5.048 -0.298 17606 3744 1 10 . 1 1 24 24 ILE C C 24 175.772 175.772 176.159 -0.387 17606 3745 1 10 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.752 0.168 17606 3746 1 10 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.520 0.734 17606 3747 1 10 . 1 1 24 24 ILE H H 24 7.980 7.980 8.433 -0.453 17606 3748 1 10 . 1 1 25 25 TYR N N 25 126.020 126.020 127.575 -1.555 17606 3749 1 10 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.865 0.206 17606 3750 1 10 . 1 1 25 25 TYR C C 25 175.859 175.859 174.979 0.880 17606 3751 1 10 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.408 0.452 17606 3752 1 10 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.966 1.501 17606 3753 1 10 . 1 1 25 25 TYR H H 25 8.885 8.885 8.990 -0.105 17606 3754 1 10 . 1 1 26 26 GLU N N 26 121.186 121.186 120.044 1.142 17606 3755 1 10 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.297 -0.655 17606 3756 1 10 . 1 1 26 26 GLU C C 26 176.001 176.001 175.743 0.258 17606 3757 1 10 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.510 1.618 17606 3758 1 10 . 1 1 26 26 GLU CB C 26 30.723 30.723 30.974 -0.252 17606 3759 1 10 . 1 1 26 26 GLU H H 26 8.915 8.915 8.790 0.125 17606 3760 1 10 . 1 1 27 27 ALA N N 27 125.281 125.281 128.232 -2.951 17606 3761 1 10 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.796 0.174 17606 3762 1 10 . 1 1 27 27 ALA C C 27 175.178 175.178 175.390 -0.212 17606 3763 1 10 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.280 1.035 17606 3764 1 10 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.652 2.003 17606 3765 1 10 . 1 1 27 27 ALA H H 27 8.834 8.834 9.158 -0.324 17606 3766 1 10 . 1 1 28 28 SER N N 28 112.133 112.133 113.188 -1.055 17606 3767 1 10 . 1 1 28 28 SER HA H 28 5.328 5.328 5.497 -0.169 17606 3768 1 10 . 1 1 28 28 SER C C 28 174.404 174.404 174.411 -0.007 17606 3769 1 10 . 1 1 28 28 SER CA C 28 56.133 56.133 55.957 0.176 17606 3770 1 10 . 1 1 28 28 SER CB C 28 66.075 66.075 65.121 0.954 17606 3771 1 10 . 1 1 28 28 SER H H 28 8.529 8.529 8.690 -0.161 17606 3772 1 10 . 1 1 29 29 ILE N N 29 122.044 122.044 125.671 -3.627 17606 3773 1 10 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.943 0.199 17606 3774 1 10 . 1 1 29 29 ILE C C 29 176.473 176.473 175.868 0.605 17606 3775 1 10 . 1 1 29 29 ILE CA C 29 61.561 61.561 61.955 -0.394 17606 3776 1 10 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.766 1.258 17606 3777 1 10 . 1 1 29 29 ILE H H 29 8.431 8.431 9.177 -0.746 17606 3778 1 10 . 1 1 30 30 LYS N N 30 128.795 128.795 126.983 1.812 17606 3779 1 10 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.402 0.008 17606 3780 1 10 . 1 1 30 30 LYS C C 30 176.559 176.559 175.912 0.647 17606 3781 1 10 . 1 1 30 30 LYS CA C 30 57.009 57.009 55.859 1.150 17606 3782 1 10 . 1 1 30 30 LYS CB C 30 33.881 33.881 35.373 -1.492 17606 3783 1 10 . 1 1 30 30 LYS H H 30 9.687 9.687 8.900 0.787 17606 3784 1 10 . 1 1 31 31 SER N N 31 111.044 111.044 112.170 -1.126 17606 3785 1 10 . 1 1 31 31 SER HA H 31 4.671 4.671 4.753 -0.082 17606 3786 1 10 . 1 1 31 31 SER C C 31 172.457 172.457 172.275 0.182 17606 3787 1 10 . 1 1 31 31 SER CA C 31 57.353 57.353 57.600 -0.247 17606 3788 1 10 . 1 1 31 31 SER CB C 31 64.824 64.824 66.323 -1.499 17606 3789 1 10 . 1 1 31 31 SER H H 31 7.537 7.537 7.785 -0.248 17606 3790 1 10 . 1 1 32 32 THR N N 32 113.911 113.911 115.340 -1.429 17606 3791 1 10 . 1 1 32 32 THR HA H 32 5.564 5.564 4.957 0.607 17606 3792 1 10 . 1 1 32 32 THR C C 32 173.003 173.003 173.364 -0.361 17606 3793 1 10 . 1 1 32 32 THR CA C 32 60.589 60.589 60.945 -0.356 17606 3794 1 10 . 1 1 32 32 THR CB C 32 72.217 72.217 71.372 0.845 17606 3795 1 10 . 1 1 32 32 THR H H 32 8.237 8.237 8.327 -0.090 17606 3796 1 10 . 1 1 33 33 GLU N N 33 123.514 123.514 123.330 0.184 17606 3797 1 10 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.684 -0.056 17606 3798 1 10 . 1 1 33 33 GLU C C 33 173.487 173.487 174.616 -1.129 17606 3799 1 10 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.080 0.376 17606 3800 1 10 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.368 -0.269 17606 3801 1 10 . 1 1 33 33 GLU H H 33 8.970 8.970 9.253 -0.283 17606 3802 1 10 . 1 1 34 34 ILE N N 34 122.095 122.095 122.075 0.020 17606 3803 1 10 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.691 0.044 17606 3804 1 10 . 1 1 34 34 ILE C C 34 175.620 175.620 175.101 0.519 17606 3805 1 10 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.354 -0.307 17606 3806 1 10 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.244 -0.587 17606 3807 1 10 . 1 1 34 34 ILE H H 34 8.505 8.505 8.630 -0.125 17606 3808 1 10 . 1 1 35 35 ASP N N 35 127.840 127.840 128.557 -0.717 17606 3809 1 10 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.798 -0.025 17606 3810 1 10 . 1 1 35 35 ASP C C 35 175.804 175.804 175.484 0.320 17606 3811 1 10 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.267 -0.032 17606 3812 1 10 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.238 0.181 17606 3813 1 10 . 1 1 35 35 ASP H H 35 8.948 8.948 9.004 -0.056 17606 3814 1 10 . 1 1 36 36 ASP N N 36 127.315 127.315 127.015 0.300 17606 3815 1 10 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.341 -0.078 17606 3816 1 10 . 1 1 36 36 ASP C C 36 175.993 175.993 176.603 -0.610 17606 3817 1 10 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.472 0.648 17606 3818 1 10 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.594 -0.935 17606 3819 1 10 . 1 1 36 36 ASP H H 36 9.065 9.065 8.902 0.163 17606 3820 1 10 . 1 1 37 37 GLY N N 37 103.112 103.112 107.991 -4.879 17606 3821 1 10 . 1 1 37 37 GLY C C 37 173.541 173.541 173.514 0.027 17606 3822 1 10 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.184 0.286 17606 3823 1 10 . 1 1 37 37 GLY H H 37 8.045 8.045 8.530 -0.485 17606 3824 1 10 . 1 1 38 38 GLU N N 38 121.172 121.172 119.520 1.652 17606 3825 1 10 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.627 0.024 17606 3826 1 10 . 1 1 38 38 GLU C C 38 174.246 174.246 175.421 -1.175 17606 3827 1 10 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.710 0.009 17606 3828 1 10 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.772 0.433 17606 3829 1 10 . 1 1 38 38 GLU H H 38 7.769 7.769 7.366 0.403 17606 3830 1 10 . 1 1 39 39 VAL N N 39 123.983 123.983 122.474 1.509 17606 3831 1 10 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.582 -0.372 17606 3832 1 10 . 1 1 39 39 VAL C C 39 174.546 174.546 175.279 -0.733 17606 3833 1 10 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.545 1.496 17606 3834 1 10 . 1 1 39 39 VAL CB C 39 32.269 32.269 31.786 0.483 17606 3835 1 10 . 1 1 39 39 VAL H H 39 8.455 8.455 8.797 -0.342 17606 3836 1 10 . 1 1 40 40 LEU N N 40 127.105 127.105 127.226 -0.121 17606 3837 1 10 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.315 -0.223 17606 3838 1 10 . 1 1 40 40 LEU C C 40 175.819 175.819 175.966 -0.147 17606 3839 1 10 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.676 -0.423 17606 3840 1 10 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.515 1.975 17606 3841 1 10 . 1 1 40 40 LEU H H 40 8.947 8.947 9.182 -0.235 17606 3842 1 10 . 1 1 41 41 TYR N N 41 119.021 119.021 120.920 -1.899 17606 3843 1 10 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.022 0.085 17606 3844 1 10 . 1 1 41 41 TYR C C 41 173.968 173.968 174.516 -0.548 17606 3845 1 10 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.376 -0.520 17606 3846 1 10 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.628 -0.486 17606 3847 1 10 . 1 1 41 41 TYR H H 41 9.337 9.337 9.658 -0.321 17606 3848 1 10 . 1 1 42 42 LEU N N 42 128.770 128.770 124.113 4.657 17606 3849 1 10 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.520 -0.547 17606 3850 1 10 . 1 1 42 42 LEU C C 42 175.491 175.491 174.329 1.162 17606 3851 1 10 . 1 1 42 42 LEU CA C 42 53.367 53.367 53.499 -0.132 17606 3852 1 10 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.922 -3.226 17606 3853 1 10 . 1 1 42 42 LEU H H 42 8.304 8.304 9.069 -0.765 17606 3854 1 10 . 1 1 43 43 VAL N N 43 121.269 121.269 127.260 -5.991 17606 3855 1 10 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.869 0.111 17606 3856 1 10 . 1 1 43 43 VAL C C 43 173.257 173.257 173.688 -0.431 17606 3857 1 10 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.175 -0.863 17606 3858 1 10 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.251 -1.197 17606 3859 1 10 . 1 1 43 43 VAL H H 43 8.847 8.847 8.875 -0.028 17606 3860 1 10 . 1 1 44 44 HIS N N 44 118.126 118.126 123.154 -5.028 17606 3861 1 10 . 1 1 44 44 HIS C C 44 174.272 174.272 173.661 0.611 17606 3862 1 10 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.150 1.169 17606 3863 1 10 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.415 -1.399 17606 3864 1 10 . 1 1 44 44 HIS H H 44 8.286 8.286 9.222 -0.936 17606 3865 1 10 . 1 1 45 45 TYR N N 45 127.711 127.711 122.055 5.656 17606 3866 1 10 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.625 -0.526 17606 3867 1 10 . 1 1 45 45 TYR C C 45 175.343 175.343 175.695 -0.352 17606 3868 1 10 . 1 1 45 45 TYR CA C 45 58.240 58.240 56.582 1.658 17606 3869 1 10 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.130 0.370 17606 3870 1 10 . 1 1 45 45 TYR H H 45 8.013 8.013 9.117 -1.104 17606 3871 1 10 . 1 1 46 46 TYR N N 46 121.373 121.373 121.637 -0.264 17606 3872 1 10 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.100 0.114 17606 3873 1 10 . 1 1 46 46 TYR CA C 46 58.945 58.945 58.437 0.508 17606 3874 1 10 . 1 1 46 46 TYR CB C 46 38.400 38.400 38.175 0.225 17606 3875 1 10 . 1 1 46 46 TYR H H 46 7.842 7.842 8.283 -0.441 17606 3876 1 10 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.502 -0.355 17606 3877 1 10 . 1 1 48 48 TRP N N 48 121.413 121.413 124.388 -2.975 17606 3878 1 10 . 1 1 48 48 TRP CA C 48 55.966 55.966 57.383 -1.417 17606 3879 1 10 . 1 1 48 48 TRP CB C 48 30.399 30.399 31.351 -0.952 17606 3880 1 10 . 1 1 48 48 TRP H H 48 8.105 8.105 7.659 0.446 17606 3881 1 10 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.855 0.319 17606 3882 1 10 . 1 1 50 50 VAL CA C 50 62.883 62.883 66.404 -3.521 17606 3883 1 10 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.096 0.128 17606 3884 1 10 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.464 -0.346 17606 3885 1 10 . 1 1 51 51 ARG C C 51 176.010 176.010 175.897 0.113 17606 3886 1 10 . 1 1 51 51 ARG CA C 51 57.004 57.004 55.493 1.511 17606 3887 1 10 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.505 -0.571 17606 3888 1 10 . 1 1 52 52 TYR N N 52 119.263 119.263 120.125 -0.862 17606 3889 1 10 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.525 0.111 17606 3890 1 10 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.654 1.346 17606 3891 1 10 . 1 1 52 52 TYR CB C 52 38.804 38.804 36.524 2.280 17606 3892 1 10 . 1 1 52 52 TYR H H 52 7.860 7.860 8.029 -0.169 17606 3893 1 10 . 1 1 53 53 ASP N N 53 122.103 122.103 121.277 0.826 17606 3894 1 10 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.643 0.334 17606 3895 1 10 . 1 1 53 53 ASP CA C 53 55.272 55.272 55.470 -0.198 17606 3896 1 10 . 1 1 53 53 ASP CB C 53 40.304 40.304 41.506 -1.202 17606 3897 1 10 . 1 1 53 53 ASP H H 53 8.014 8.014 8.026 -0.012 17606 3898 1 10 . 1 1 54 54 GLU N N 54 119.733 119.733 121.899 -2.166 17606 3899 1 10 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.591 0.182 17606 3900 1 10 . 1 1 54 54 GLU C C 54 174.099 174.099 174.819 -0.720 17606 3901 1 10 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.460 0.418 17606 3902 1 10 . 1 1 54 54 GLU CB C 54 34.131 34.131 34.154 -0.023 17606 3903 1 10 . 1 1 54 54 GLU H H 54 8.018 8.018 8.722 -0.704 17606 3904 1 10 . 1 1 55 55 TRP N N 55 124.675 124.675 122.653 2.022 17606 3905 1 10 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.794 -0.550 17606 3906 1 10 . 1 1 55 55 TRP C C 55 177.088 177.088 176.132 0.956 17606 3907 1 10 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.007 0.382 17606 3908 1 10 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.526 -1.113 17606 3909 1 10 . 1 1 55 55 TRP H H 55 8.760 8.760 8.746 0.014 17606 3910 1 10 . 1 1 56 56 VAL N N 56 119.873 119.873 117.572 2.301 17606 3911 1 10 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.858 0.066 17606 3912 1 10 . 1 1 56 56 VAL C C 56 174.866 174.866 174.250 0.616 17606 3913 1 10 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.919 0.049 17606 3914 1 10 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.222 0.639 17606 3915 1 10 . 1 1 56 56 VAL H H 56 10.006 10.006 8.974 1.032 17606 3916 1 10 . 1 1 57 57 LYS N N 57 120.466 120.466 123.033 -2.567 17606 3917 1 10 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.043 -0.177 17606 3918 1 10 . 1 1 57 57 LYS C C 57 178.120 178.120 178.470 -0.350 17606 3919 1 10 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.357 0.084 17606 3920 1 10 . 1 1 57 57 LYS CB C 57 34.184 34.184 33.731 0.453 17606 3921 1 10 . 1 1 57 57 LYS H H 57 8.361 8.361 8.645 -0.284 17606 3922 1 10 . 1 1 58 58 ALA N N 58 120.318 120.318 125.810 -5.492 17606 3923 1 10 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.128 0.026 17606 3924 1 10 . 1 1 58 58 ALA C C 58 179.508 179.508 178.988 0.520 17606 3925 1 10 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.814 -0.125 17606 3926 1 10 . 1 1 58 58 ALA CB C 58 19.474 19.474 19.080 0.394 17606 3927 1 10 . 1 1 58 58 ALA H H 58 9.064 9.064 8.771 0.293 17606 3928 1 10 . 1 1 59 59 ASP N N 59 113.824 113.824 113.742 0.082 17606 3929 1 10 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.534 0.003 17606 3930 1 10 . 1 1 59 59 ASP C C 59 177.499 177.499 176.712 0.787 17606 3931 1 10 . 1 1 59 59 ASP CA C 59 55.653 55.653 55.120 0.533 17606 3932 1 10 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.118 -0.384 17606 3933 1 10 . 1 1 59 59 ASP H H 59 8.256 8.256 8.867 -0.611 17606 3934 1 10 . 1 1 60 60 ARG N N 60 118.041 118.041 117.511 0.530 17606 3935 1 10 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.566 -0.275 17606 3936 1 10 . 1 1 60 60 ARG C C 60 174.918 174.918 175.186 -0.268 17606 3937 1 10 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.318 0.826 17606 3938 1 10 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.932 0.077 17606 3939 1 10 . 1 1 60 60 ARG H H 60 7.931 7.931 7.791 0.140 17606 3940 1 10 . 1 1 61 61 ILE N N 61 118.787 118.787 120.717 -1.930 17606 3941 1 10 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.719 -0.602 17606 3942 1 10 . 1 1 61 61 ILE C C 61 175.243 175.243 175.478 -0.235 17606 3943 1 10 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.106 0.307 17606 3944 1 10 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.306 -1.878 17606 3945 1 10 . 1 1 61 61 ILE H H 61 7.463 7.463 7.439 0.024 17606 3946 1 10 . 1 1 62 62 ILE N N 62 127.975 127.975 126.631 1.344 17606 3947 1 10 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.360 -0.204 17606 3948 1 10 . 1 1 62 62 ILE C C 62 175.867 175.867 174.505 1.362 17606 3949 1 10 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.827 0.609 17606 3950 1 10 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.524 -0.205 17606 3951 1 10 . 1 1 62 62 ILE H H 62 8.773 8.773 8.993 -0.220 17606 3952 1 10 . 1 1 63 63 TRP N N 63 131.233 131.233 130.427 0.806 17606 3953 1 10 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.806 -0.244 17606 3954 1 10 . 1 1 63 63 TRP C C 63 174.859 174.859 174.535 0.324 17606 3955 1 10 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.714 -0.172 17606 3956 1 10 . 1 1 63 63 TRP CB C 63 28.659 28.659 28.916 -0.257 17606 3957 1 10 . 1 1 63 63 TRP H H 63 8.506 8.506 8.394 0.112 17606 3958 1 10 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.357 0.192 17606 3959 1 10 . 1 1 64 64 PRO C C 64 176.966 176.966 176.039 0.927 17606 3960 1 10 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.319 -0.188 17606 3961 1 10 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.941 0.084 17606 3962 1 10 . 1 1 65 65 LEU N N 65 121.886 121.886 125.834 -3.948 17606 3963 1 10 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.531 -0.198 17606 3964 1 10 . 1 1 65 65 LEU C C 65 177.243 177.243 176.464 0.779 17606 3965 1 10 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.304 0.188 17606 3966 1 10 . 1 1 65 65 LEU CB C 65 42.370 42.370 42.814 -0.444 17606 3967 1 10 . 1 1 65 65 LEU H H 65 8.426 8.426 8.082 0.344 17606 3968 1 10 . 1 1 66 66 ASP N N 66 120.509 120.509 121.554 -1.045 17606 3969 1 10 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.368 0.210 17606 3970 1 10 . 1 1 66 66 ASP C C 66 176.402 176.402 175.064 1.338 17606 3971 1 10 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.683 -1.434 17606 3972 1 10 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.835 0.321 17606 3973 1 10 . 1 1 66 66 ASP H H 66 8.348 8.348 8.641 -0.293 17606 3974 1 10 . 1 1 67 67 LYS N N 67 121.925 121.925 118.847 3.078 17606 3975 1 10 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.462 -0.184 17606 3976 1 10 . 1 1 67 67 LYS C C 67 177.158 177.158 175.759 1.399 17606 3977 1 10 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.905 0.694 17606 3978 1 10 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.688 0.065 17606 3979 1 10 . 1 1 67 67 LYS H H 67 8.327 8.327 7.813 0.514 17606 3980 1 10 . 1 1 68 68 GLY N N 68 109.417 109.417 107.371 2.046 17606 3981 1 10 . 1 1 68 68 GLY C C 68 174.413 174.413 172.891 1.522 17606 3982 1 10 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.782 0.841 17606 3983 1 10 . 1 1 68 68 GLY H H 68 8.558 8.558 7.894 0.664 17606 3984 1 10 . 1 1 69 69 LEU N N 69 120.937 120.937 118.412 2.525 17606 3985 1 10 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.118 0.137 17606 3986 1 10 . 1 1 69 69 LEU C C 69 177.559 177.559 175.876 1.683 17606 3987 1 10 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.477 0.849 17606 3988 1 10 . 1 1 69 69 LEU CB C 69 42.169 42.169 42.052 0.117 17606 3989 1 10 . 1 1 69 69 LEU H H 69 7.972 7.972 7.715 0.257 17606 3990 1 10 . 1 1 70 70 GLU N N 70 120.764 120.764 123.529 -2.765 17606 3991 1 10 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.232 -0.106 17606 3992 1 10 . 1 1 70 70 GLU C C 70 176.435 176.435 176.200 0.235 17606 3993 1 10 . 1 1 70 70 GLU CA C 70 57.150 57.150 55.391 1.759 17606 3994 1 10 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.534 -0.675 17606 3995 1 10 . 1 1 70 70 GLU H H 70 8.443 8.443 8.384 0.059 17606 3996 1 10 . 1 1 71 71 HIS N N 71 119.554 119.554 122.252 -2.698 17606 3997 1 10 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.651 -0.053 17606 3998 1 10 . 1 1 71 71 HIS C C 71 174.001 174.001 174.837 -0.836 17606 3999 1 10 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.811 0.267 17606 4000 1 10 . 1 1 71 71 HIS CB C 71 30.551 30.551 28.693 1.858 17606 4001 1 10 . 1 1 71 71 HIS H H 71 8.223 8.223 8.628 -0.405 17606 4002 1 10 . 1 1 72 72 HIS N N 72 125.509 125.509 123.178 2.331 17606 4003 1 10 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.447 -0.033 17606 4004 1 10 . 1 1 72 72 HIS C C 72 179.225 179.225 175.255 3.970 17606 4005 1 10 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.223 0.140 17606 4006 1 10 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.550 -0.100 17606 4007 1 10 . 1 1 72 72 HIS H H 72 8.101 8.101 8.281 -0.180 17606 4008 1 10 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.620 -0.076 17606 4009 1 10 . 1 1 73 73 HIS CA C 73 56.078 56.078 56.416 -0.338 17606 4010 1 10 . 1 1 73 73 HIS CB C 73 30.551 30.551 30.320 0.231 17606 4011 1 10 . 1 1 74 74 HIS N N 74 120.202 120.202 123.407 -3.205 17606 4012 1 10 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.357 -0.155 17606 4013 1 10 . 1 1 74 74 HIS CA C 74 56.035 56.035 57.041 -1.006 17606 4014 1 10 . 1 1 74 74 HIS CB C 74 30.232 30.232 29.623 0.609 17606 4015 1 10 . 1 1 74 74 HIS H H 74 8.189 8.189 8.501 -0.312 17606 4016 1 10 . 1 1 75 75 HIS N N 75 120.367 120.367 120.363 0.004 17606 4017 1 10 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.709 -0.286 17606 4018 1 10 . 1 1 75 75 HIS CA C 75 55.515 55.515 54.553 0.962 17606 4019 1 10 . 1 1 75 75 HIS CB C 75 33.268 33.268 31.265 2.003 17606 4020 1 10 . 1 1 75 75 HIS H H 75 8.258 8.258 7.657 0.601 17606 4021 1 11 . 1 1 2 2 ASP N N 2 121.539 121.539 118.637 2.902 17606 4022 1 11 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.406 0.149 17606 4023 1 11 . 1 1 2 2 ASP C C 2 176.030 176.030 175.036 0.994 17606 4024 1 11 . 1 1 2 2 ASP CA C 2 54.553 54.553 56.056 -1.503 17606 4025 1 11 . 1 1 2 2 ASP CB C 2 41.304 41.304 40.014 1.290 17606 4026 1 11 . 1 1 2 2 ASP H H 2 8.515 8.515 8.571 -0.056 17606 4027 1 11 . 1 1 3 3 MET N N 3 120.469 120.469 113.164 7.305 17606 4028 1 11 . 1 1 3 3 MET HA H 3 4.472 4.472 4.672 -0.200 17606 4029 1 11 . 1 1 3 3 MET C C 3 176.040 176.040 174.807 1.233 17606 4030 1 11 . 1 1 3 3 MET CA C 3 55.373 55.373 54.814 0.559 17606 4031 1 11 . 1 1 3 3 MET CB C 3 33.196 33.196 34.995 -1.798 17606 4032 1 11 . 1 1 3 3 MET H H 3 8.340 8.340 7.383 0.957 17606 4033 1 11 . 1 1 4 4 GLU N N 4 123.512 123.512 120.926 2.586 17606 4034 1 11 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.897 -0.359 17606 4035 1 11 . 1 1 4 4 GLU C C 4 174.592 174.592 174.862 -0.270 17606 4036 1 11 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.548 1.006 17606 4037 1 11 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.999 -0.353 17606 4038 1 11 . 1 1 4 4 GLU H H 4 8.424 8.424 8.766 -0.342 17606 4039 1 11 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.452 -0.050 17606 4040 1 11 . 1 1 5 5 PRO C C 5 176.669 176.669 176.135 0.534 17606 4041 1 11 . 1 1 5 5 PRO CA C 5 63.491 63.491 62.922 0.569 17606 4042 1 11 . 1 1 5 5 PRO CB C 5 32.002 32.002 30.991 1.011 17606 4043 1 11 . 1 1 6 6 CYS N N 6 119.970 119.970 121.661 -1.691 17606 4044 1 11 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.582 -0.060 17606 4045 1 11 . 1 1 6 6 CYS C C 6 175.020 175.020 175.370 -0.350 17606 4046 1 11 . 1 1 6 6 CYS CA C 6 58.662 58.662 57.782 0.880 17606 4047 1 11 . 1 1 6 6 CYS CB C 6 27.638 27.638 29.272 -1.634 17606 4048 1 11 . 1 1 6 6 CYS H H 6 8.539 8.539 8.245 0.294 17606 4049 1 11 . 1 1 7 7 LEU N N 7 125.146 125.146 121.736 3.410 17606 4050 1 11 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.782 -0.349 17606 4051 1 11 . 1 1 7 7 LEU C C 7 178.244 178.244 176.785 1.459 17606 4052 1 11 . 1 1 7 7 LEU CA C 7 55.361 55.361 54.468 0.893 17606 4053 1 11 . 1 1 7 7 LEU CB C 7 42.687 42.687 41.237 1.450 17606 4054 1 11 . 1 1 7 7 LEU H H 7 8.649 8.649 8.960 -0.311 17606 4055 1 11 . 1 1 8 8 THR N N 8 116.760 116.760 111.521 5.239 17606 4056 1 11 . 1 1 8 8 THR HA H 8 3.966 3.966 4.319 -0.353 17606 4057 1 11 . 1 1 8 8 THR C C 8 175.108 175.108 176.771 -1.663 17606 4058 1 11 . 1 1 8 8 THR CA C 8 64.244 64.244 63.106 1.137 17606 4059 1 11 . 1 1 8 8 THR CB C 8 69.071 69.071 68.485 0.586 17606 4060 1 11 . 1 1 8 8 THR H H 8 8.124 8.124 7.698 0.426 17606 4061 1 11 . 1 1 9 9 GLY N N 9 113.810 113.810 115.821 -2.011 17606 4062 1 11 . 1 1 9 9 GLY C C 9 174.510 174.510 174.306 0.204 17606 4063 1 11 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.281 -0.269 17606 4064 1 11 . 1 1 9 9 GLY H H 9 9.095 9.095 9.034 0.061 17606 4065 1 11 . 1 1 10 10 THR N N 10 116.938 116.938 118.611 -1.673 17606 4066 1 11 . 1 1 10 10 THR HA H 10 4.179 4.179 4.173 0.006 17606 4067 1 11 . 1 1 10 10 THR C C 10 173.450 173.450 174.043 -0.593 17606 4068 1 11 . 1 1 10 10 THR CA C 10 64.192 64.192 62.948 1.244 17606 4069 1 11 . 1 1 10 10 THR CB C 10 70.093 70.093 69.519 0.574 17606 4070 1 11 . 1 1 10 10 THR H H 10 8.002 8.002 7.887 0.115 17606 4071 1 11 . 1 1 11 11 LYS N N 11 127.263 127.263 127.263 0.000 17606 4072 1 11 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.852 -0.026 17606 4073 1 11 . 1 1 11 11 LYS C C 11 176.157 176.157 176.497 -0.340 17606 4074 1 11 . 1 1 11 11 LYS CA C 11 56.741 56.741 54.920 1.821 17606 4075 1 11 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.734 -0.179 17606 4076 1 11 . 1 1 11 11 LYS H H 11 8.514 8.514 8.531 -0.017 17606 4077 1 11 . 1 1 12 12 VAL N N 12 116.892 116.892 118.013 -1.121 17606 4078 1 11 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.444 0.146 17606 4079 1 11 . 1 1 12 12 VAL C C 12 174.476 174.476 173.687 0.789 17606 4080 1 11 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.113 0.099 17606 4081 1 11 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.005 0.538 17606 4082 1 11 . 1 1 12 12 VAL H H 12 8.738 8.738 8.816 -0.078 17606 4083 1 11 . 1 1 13 13 LYS N N 13 118.427 118.427 119.998 -1.571 17606 4084 1 11 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.954 0.169 17606 4085 1 11 . 1 1 13 13 LYS C C 13 174.853 174.853 174.648 0.205 17606 4086 1 11 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.792 0.191 17606 4087 1 11 . 1 1 13 13 LYS CB C 13 35.787 35.787 36.140 -0.353 17606 4088 1 11 . 1 1 13 13 LYS H H 13 7.677 7.677 8.477 -0.800 17606 4089 1 11 . 1 1 14 14 VAL N N 14 120.913 120.913 123.753 -2.840 17606 4090 1 11 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.327 0.499 17606 4091 1 11 . 1 1 14 14 VAL C C 14 175.645 175.645 173.748 1.897 17606 4092 1 11 . 1 1 14 14 VAL CA C 14 60.391 60.391 61.598 -1.207 17606 4093 1 11 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.529 0.498 17606 4094 1 11 . 1 1 14 14 VAL H H 14 9.178 9.178 9.374 -0.196 17606 4095 1 11 . 1 1 15 15 LYS N N 15 125.862 125.862 128.245 -2.383 17606 4096 1 11 . 1 1 15 15 LYS HA H 15 4.582 4.582 5.034 -0.452 17606 4097 1 11 . 1 1 15 15 LYS C C 15 175.430 175.430 174.365 1.065 17606 4098 1 11 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.085 1.606 17606 4099 1 11 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.014 -0.250 17606 4100 1 11 . 1 1 15 15 LYS H H 15 9.010 9.010 8.557 0.453 17606 4101 1 11 . 1 1 16 16 TYR N N 16 127.499 127.499 126.990 0.509 17606 4102 1 11 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.713 -0.075 17606 4103 1 11 . 1 1 16 16 TYR C C 16 175.096 175.096 173.312 1.784 17606 4104 1 11 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.566 0.782 17606 4105 1 11 . 1 1 16 16 TYR CB C 16 42.493 42.493 42.316 0.177 17606 4106 1 11 . 1 1 16 16 TYR H H 16 9.305 9.305 8.901 0.404 17606 4107 1 11 . 1 1 17 17 GLY N N 17 115.501 115.501 112.871 2.630 17606 4108 1 11 . 1 1 17 17 GLY C C 17 173.380 173.380 171.556 1.824 17606 4109 1 11 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.281 -1.065 17606 4110 1 11 . 1 1 17 17 GLY H H 17 8.383 8.383 7.868 0.515 17606 4111 1 11 . 1 1 18 18 ARG N N 18 117.847 117.847 120.668 -2.821 17606 4112 1 11 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.440 0.165 17606 4113 1 11 . 1 1 18 18 ARG C C 18 175.941 175.941 176.955 -1.014 17606 4114 1 11 . 1 1 18 18 ARG CA C 18 55.340 55.340 55.337 0.002 17606 4115 1 11 . 1 1 18 18 ARG CB C 18 33.186 33.186 29.926 3.260 17606 4116 1 11 . 1 1 18 18 ARG H H 18 8.305 8.305 8.382 -0.077 17606 4117 1 11 . 1 1 19 19 GLY N N 19 110.572 110.572 116.878 -6.306 17606 4118 1 11 . 1 1 19 19 GLY C C 19 176.227 176.227 174.579 1.648 17606 4119 1 11 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.597 -0.707 17606 4120 1 11 . 1 1 19 19 GLY H H 19 8.857 8.857 8.737 0.120 17606 4121 1 11 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.291 -0.107 17606 4122 1 11 . 1 1 20 20 LYS C C 20 177.694 177.694 178.337 -0.643 17606 4123 1 11 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.131 1.248 17606 4124 1 11 . 1 1 20 20 LYS CB C 20 32.493 32.493 33.189 -0.696 17606 4125 1 11 . 1 1 20 20 LYS H H 20 6.723 6.723 8.258 -1.535 17606 4126 1 11 . 1 1 21 21 THR N N 21 108.329 108.329 119.915 -11.586 17606 4127 1 11 . 1 1 21 21 THR HA H 21 4.437 4.437 4.154 0.283 17606 4128 1 11 . 1 1 21 21 THR C C 21 173.999 173.999 172.617 1.382 17606 4129 1 11 . 1 1 21 21 THR CA C 21 60.895 60.895 62.512 -1.617 17606 4130 1 11 . 1 1 21 21 THR CB C 21 68.907 68.907 67.628 1.279 17606 4131 1 11 . 1 1 21 21 THR H H 21 7.839 7.839 7.989 -0.150 17606 4132 1 11 . 1 1 22 22 GLN N N 22 123.126 123.126 121.563 1.563 17606 4133 1 11 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.594 -0.164 17606 4134 1 11 . 1 1 22 22 GLN C C 22 175.190 175.190 174.975 0.215 17606 4135 1 11 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.756 2.039 17606 4136 1 11 . 1 1 22 22 GLN CB C 22 31.031 31.031 30.543 0.488 17606 4137 1 11 . 1 1 22 22 GLN H H 22 7.503 7.503 7.546 -0.043 17606 4138 1 11 . 1 1 23 23 LYS N N 23 126.763 126.763 126.460 0.303 17606 4139 1 11 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.429 0.108 17606 4140 1 11 . 1 1 23 23 LYS C C 23 174.087 174.087 174.833 -0.746 17606 4141 1 11 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.392 0.052 17606 4142 1 11 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.238 1.257 17606 4143 1 11 . 1 1 23 23 LYS H H 23 8.937 8.937 8.268 0.669 17606 4144 1 11 . 1 1 24 24 ILE N N 24 120.287 120.287 122.637 -2.350 17606 4145 1 11 . 1 1 24 24 ILE HA H 24 4.750 4.750 5.065 -0.315 17606 4146 1 11 . 1 1 24 24 ILE C C 24 175.772 175.772 175.642 0.130 17606 4147 1 11 . 1 1 24 24 ILE CA C 24 59.920 59.920 60.159 -0.239 17606 4148 1 11 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.795 0.459 17606 4149 1 11 . 1 1 24 24 ILE H H 24 7.980 7.980 8.245 -0.265 17606 4150 1 11 . 1 1 25 25 TYR N N 25 126.020 126.020 124.915 1.105 17606 4151 1 11 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.995 0.076 17606 4152 1 11 . 1 1 25 25 TYR C C 25 175.859 175.859 173.533 2.326 17606 4153 1 11 . 1 1 25 25 TYR CA C 25 55.860 55.860 54.626 1.234 17606 4154 1 11 . 1 1 25 25 TYR CB C 25 42.467 42.467 39.774 2.693 17606 4155 1 11 . 1 1 25 25 TYR H H 25 8.885 8.885 9.343 -0.458 17606 4156 1 11 . 1 1 26 26 GLU N N 26 121.186 121.186 119.741 1.445 17606 4157 1 11 . 1 1 26 26 GLU HA H 26 4.642 4.642 4.953 -0.311 17606 4158 1 11 . 1 1 26 26 GLU C C 26 176.001 176.001 175.398 0.603 17606 4159 1 11 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.428 1.700 17606 4160 1 11 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.110 -1.387 17606 4161 1 11 . 1 1 26 26 GLU H H 26 8.915 8.915 8.824 0.091 17606 4162 1 11 . 1 1 27 27 ALA N N 27 125.281 125.281 126.549 -1.268 17606 4163 1 11 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.630 0.340 17606 4164 1 11 . 1 1 27 27 ALA C C 27 175.178 175.178 175.306 -0.128 17606 4165 1 11 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.212 1.103 17606 4166 1 11 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.156 2.499 17606 4167 1 11 . 1 1 27 27 ALA H H 27 8.834 8.834 9.003 -0.169 17606 4168 1 11 . 1 1 28 28 SER N N 28 112.133 112.133 112.999 -0.866 17606 4169 1 11 . 1 1 28 28 SER HA H 28 5.328 5.328 5.421 -0.093 17606 4170 1 11 . 1 1 28 28 SER C C 28 174.404 174.404 173.513 0.891 17606 4171 1 11 . 1 1 28 28 SER CA C 28 56.133 56.133 56.969 -0.836 17606 4172 1 11 . 1 1 28 28 SER CB C 28 66.075 66.075 66.461 -0.386 17606 4173 1 11 . 1 1 28 28 SER H H 28 8.529 8.529 8.074 0.455 17606 4174 1 11 . 1 1 29 29 ILE N N 29 122.044 122.044 124.901 -2.857 17606 4175 1 11 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.261 -0.119 17606 4176 1 11 . 1 1 29 29 ILE C C 29 176.473 176.473 176.133 0.340 17606 4177 1 11 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.402 1.159 17606 4178 1 11 . 1 1 29 29 ILE CB C 29 38.024 38.024 37.129 0.895 17606 4179 1 11 . 1 1 29 29 ILE H H 29 8.431 8.431 8.749 -0.318 17606 4180 1 11 . 1 1 30 30 LYS N N 30 128.795 128.795 129.380 -0.585 17606 4181 1 11 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.302 0.108 17606 4182 1 11 . 1 1 30 30 LYS C C 30 176.559 176.559 175.993 0.566 17606 4183 1 11 . 1 1 30 30 LYS CA C 30 57.009 57.009 55.715 1.294 17606 4184 1 11 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.484 -0.603 17606 4185 1 11 . 1 1 30 30 LYS H H 30 9.687 9.687 8.833 0.854 17606 4186 1 11 . 1 1 31 31 SER N N 31 111.044 111.044 111.766 -0.722 17606 4187 1 11 . 1 1 31 31 SER HA H 31 4.671 4.671 4.809 -0.138 17606 4188 1 11 . 1 1 31 31 SER C C 31 172.457 172.457 172.410 0.047 17606 4189 1 11 . 1 1 31 31 SER CA C 31 57.353 57.353 57.568 -0.215 17606 4190 1 11 . 1 1 31 31 SER CB C 31 64.824 64.824 65.563 -0.739 17606 4191 1 11 . 1 1 31 31 SER H H 31 7.537 7.537 7.556 -0.019 17606 4192 1 11 . 1 1 32 32 THR N N 32 113.911 113.911 115.005 -1.094 17606 4193 1 11 . 1 1 32 32 THR HA H 32 5.564 5.564 4.974 0.590 17606 4194 1 11 . 1 1 32 32 THR C C 32 173.003 173.003 173.382 -0.379 17606 4195 1 11 . 1 1 32 32 THR CA C 32 60.589 60.589 61.295 -0.706 17606 4196 1 11 . 1 1 32 32 THR CB C 32 72.217 72.217 71.587 0.630 17606 4197 1 11 . 1 1 32 32 THR H H 32 8.237 8.237 8.341 -0.104 17606 4198 1 11 . 1 1 33 33 GLU N N 33 123.514 123.514 122.505 1.009 17606 4199 1 11 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.763 -0.135 17606 4200 1 11 . 1 1 33 33 GLU C C 33 173.487 173.487 174.654 -1.167 17606 4201 1 11 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.833 0.623 17606 4202 1 11 . 1 1 33 33 GLU CB C 33 34.099 34.099 32.900 1.199 17606 4203 1 11 . 1 1 33 33 GLU H H 33 8.970 8.970 9.150 -0.180 17606 4204 1 11 . 1 1 34 34 ILE N N 34 122.095 122.095 121.876 0.219 17606 4205 1 11 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.775 -0.040 17606 4206 1 11 . 1 1 34 34 ILE C C 34 175.620 175.620 175.035 0.585 17606 4207 1 11 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.230 -0.183 17606 4208 1 11 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.425 -0.768 17606 4209 1 11 . 1 1 34 34 ILE H H 34 8.505 8.505 8.582 -0.077 17606 4210 1 11 . 1 1 35 35 ASP N N 35 127.840 127.840 128.310 -0.470 17606 4211 1 11 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.846 -0.073 17606 4212 1 11 . 1 1 35 35 ASP C C 35 175.804 175.804 175.743 0.061 17606 4213 1 11 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.463 -0.228 17606 4214 1 11 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.105 -0.686 17606 4215 1 11 . 1 1 35 35 ASP H H 35 8.948 8.948 9.110 -0.162 17606 4216 1 11 . 1 1 36 36 ASP N N 36 127.315 127.315 126.260 1.055 17606 4217 1 11 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.325 -0.062 17606 4218 1 11 . 1 1 36 36 ASP C C 36 175.993 175.993 176.358 -0.365 17606 4219 1 11 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.553 0.567 17606 4220 1 11 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.597 -0.938 17606 4221 1 11 . 1 1 36 36 ASP H H 36 9.065 9.065 8.817 0.248 17606 4222 1 11 . 1 1 37 37 GLY N N 37 103.112 103.112 103.799 -0.687 17606 4223 1 11 . 1 1 37 37 GLY C C 37 173.541 173.541 173.708 -0.167 17606 4224 1 11 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.050 0.421 17606 4225 1 11 . 1 1 37 37 GLY H H 37 8.045 8.045 8.254 -0.209 17606 4226 1 11 . 1 1 38 38 GLU N N 38 121.172 121.172 120.085 1.087 17606 4227 1 11 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.709 -0.058 17606 4228 1 11 . 1 1 38 38 GLU C C 38 174.246 174.246 174.964 -0.718 17606 4229 1 11 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.770 -0.051 17606 4230 1 11 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.848 0.357 17606 4231 1 11 . 1 1 38 38 GLU H H 38 7.769 7.769 7.858 -0.089 17606 4232 1 11 . 1 1 39 39 VAL N N 39 123.983 123.983 124.921 -0.938 17606 4233 1 11 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.883 -0.673 17606 4234 1 11 . 1 1 39 39 VAL C C 39 174.546 174.546 174.334 0.212 17606 4235 1 11 . 1 1 39 39 VAL CA C 39 63.041 63.041 60.910 2.131 17606 4236 1 11 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.706 -0.437 17606 4237 1 11 . 1 1 39 39 VAL H H 39 8.455 8.455 8.820 -0.365 17606 4238 1 11 . 1 1 40 40 LEU N N 40 127.105 127.105 129.251 -2.146 17606 4239 1 11 . 1 1 40 40 LEU HA H 40 5.092 5.092 4.912 0.180 17606 4240 1 11 . 1 1 40 40 LEU C C 40 175.819 175.819 175.520 0.299 17606 4241 1 11 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.773 -0.520 17606 4242 1 11 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.190 2.300 17606 4243 1 11 . 1 1 40 40 LEU H H 40 8.947 8.947 9.130 -0.183 17606 4244 1 11 . 1 1 41 41 TYR N N 41 119.021 119.021 119.931 -0.910 17606 4245 1 11 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.101 0.006 17606 4246 1 11 . 1 1 41 41 TYR C C 41 173.968 173.968 174.579 -0.611 17606 4247 1 11 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.218 -0.362 17606 4248 1 11 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.932 -0.790 17606 4249 1 11 . 1 1 41 41 TYR H H 41 9.337 9.337 9.446 -0.109 17606 4250 1 11 . 1 1 42 42 LEU N N 42 128.770 128.770 124.302 4.468 17606 4251 1 11 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.363 -0.390 17606 4252 1 11 . 1 1 42 42 LEU C C 42 175.491 175.491 174.538 0.953 17606 4253 1 11 . 1 1 42 42 LEU CA C 42 53.367 53.367 53.009 0.358 17606 4254 1 11 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.562 -3.866 17606 4255 1 11 . 1 1 42 42 LEU H H 42 8.304 8.304 8.821 -0.517 17606 4256 1 11 . 1 1 43 43 VAL N N 43 121.269 121.269 122.060 -0.791 17606 4257 1 11 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.883 0.097 17606 4258 1 11 . 1 1 43 43 VAL C C 43 173.257 173.257 173.556 -0.299 17606 4259 1 11 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.170 -0.859 17606 4260 1 11 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.252 -0.198 17606 4261 1 11 . 1 1 43 43 VAL H H 43 8.847 8.847 8.948 -0.101 17606 4262 1 11 . 1 1 44 44 HIS N N 44 118.126 118.126 120.310 -2.184 17606 4263 1 11 . 1 1 44 44 HIS C C 44 174.272 174.272 173.804 0.468 17606 4264 1 11 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.184 1.135 17606 4265 1 11 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.727 -1.710 17606 4266 1 11 . 1 1 44 44 HIS H H 44 8.286 8.286 8.425 -0.139 17606 4267 1 11 . 1 1 45 45 TYR N N 45 127.711 127.711 120.717 6.994 17606 4268 1 11 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.644 -0.545 17606 4269 1 11 . 1 1 45 45 TYR C C 45 175.343 175.343 174.931 0.412 17606 4270 1 11 . 1 1 45 45 TYR CA C 45 58.240 58.240 56.666 1.574 17606 4271 1 11 . 1 1 45 45 TYR CB C 45 37.500 37.500 39.535 -2.035 17606 4272 1 11 . 1 1 45 45 TYR H H 45 8.013 8.013 8.033 -0.020 17606 4273 1 11 . 1 1 46 46 TYR N N 46 121.373 121.373 124.638 -3.265 17606 4274 1 11 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.676 -0.462 17606 4275 1 11 . 1 1 46 46 TYR CA C 46 58.945 58.945 57.952 0.993 17606 4276 1 11 . 1 1 46 46 TYR CB C 46 38.400 38.400 37.007 1.393 17606 4277 1 11 . 1 1 46 46 TYR H H 46 7.842 7.842 9.017 -1.175 17606 4278 1 11 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.471 -0.324 17606 4279 1 11 . 1 1 48 48 TRP N N 48 121.413 121.413 121.632 -0.219 17606 4280 1 11 . 1 1 48 48 TRP CA C 48 55.966 55.966 57.016 -1.050 17606 4281 1 11 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.571 -0.172 17606 4282 1 11 . 1 1 48 48 TRP H H 48 8.105 8.105 7.904 0.201 17606 4283 1 11 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.153 0.021 17606 4284 1 11 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.033 -0.150 17606 4285 1 11 . 1 1 50 50 VAL CB C 50 32.224 32.224 31.593 0.631 17606 4286 1 11 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.061 0.057 17606 4287 1 11 . 1 1 51 51 ARG C C 51 176.010 176.010 176.734 -0.724 17606 4288 1 11 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.790 0.214 17606 4289 1 11 . 1 1 51 51 ARG CB C 51 29.934 29.934 29.914 0.020 17606 4290 1 11 . 1 1 52 52 TYR N N 52 119.263 119.263 121.008 -1.745 17606 4291 1 11 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.447 0.189 17606 4292 1 11 . 1 1 52 52 TYR CA C 52 58.000 58.000 57.680 0.320 17606 4293 1 11 . 1 1 52 52 TYR CB C 52 38.804 38.804 36.618 2.186 17606 4294 1 11 . 1 1 52 52 TYR H H 52 7.860 7.860 7.370 0.489 17606 4295 1 11 . 1 1 53 53 ASP N N 53 122.103 122.103 122.266 -0.163 17606 4296 1 11 . 1 1 53 53 ASP HA H 53 4.977 4.977 5.110 -0.133 17606 4297 1 11 . 1 1 53 53 ASP CA C 53 55.272 55.272 53.109 2.163 17606 4298 1 11 . 1 1 53 53 ASP CB C 53 40.304 40.304 42.153 -1.849 17606 4299 1 11 . 1 1 53 53 ASP H H 53 8.014 8.014 8.011 0.003 17606 4300 1 11 . 1 1 54 54 GLU N N 54 119.733 119.733 125.156 -5.423 17606 4301 1 11 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.784 -0.011 17606 4302 1 11 . 1 1 54 54 GLU C C 54 174.099 174.099 174.732 -0.633 17606 4303 1 11 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.262 0.616 17606 4304 1 11 . 1 1 54 54 GLU CB C 54 34.131 34.131 34.164 -0.033 17606 4305 1 11 . 1 1 54 54 GLU H H 54 8.018 8.018 8.808 -0.790 17606 4306 1 11 . 1 1 55 55 TRP N N 55 124.675 124.675 122.233 2.442 17606 4307 1 11 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.691 -0.447 17606 4308 1 11 . 1 1 55 55 TRP C C 55 177.088 177.088 176.451 0.637 17606 4309 1 11 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.323 0.066 17606 4310 1 11 . 1 1 55 55 TRP CB C 55 29.413 29.413 31.019 -1.606 17606 4311 1 11 . 1 1 55 55 TRP H H 55 8.760 8.760 8.591 0.169 17606 4312 1 11 . 1 1 56 56 VAL N N 56 119.873 119.873 123.231 -3.358 17606 4313 1 11 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.152 0.772 17606 4314 1 11 . 1 1 56 56 VAL C C 56 174.866 174.866 174.926 -0.060 17606 4315 1 11 . 1 1 56 56 VAL CA C 56 58.968 58.968 60.172 -1.204 17606 4316 1 11 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.572 0.289 17606 4317 1 11 . 1 1 56 56 VAL H H 56 10.006 10.006 9.025 0.981 17606 4318 1 11 . 1 1 57 57 LYS N N 57 120.466 120.466 125.323 -4.857 17606 4319 1 11 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.705 0.160 17606 4320 1 11 . 1 1 57 57 LYS C C 57 178.120 178.120 177.831 0.289 17606 4321 1 11 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.966 -0.525 17606 4322 1 11 . 1 1 57 57 LYS CB C 57 34.184 34.184 33.906 0.278 17606 4323 1 11 . 1 1 57 57 LYS H H 57 8.361 8.361 8.611 -0.251 17606 4324 1 11 . 1 1 58 58 ALA N N 58 120.318 120.318 127.937 -7.619 17606 4325 1 11 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.117 0.037 17606 4326 1 11 . 1 1 58 58 ALA C C 58 179.508 179.508 178.975 0.533 17606 4327 1 11 . 1 1 58 58 ALA CA C 58 55.689 55.689 56.000 -0.311 17606 4328 1 11 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.872 0.602 17606 4329 1 11 . 1 1 58 58 ALA H H 58 9.064 9.064 8.592 0.472 17606 4330 1 11 . 1 1 59 59 ASP N N 59 113.824 113.824 114.639 -0.815 17606 4331 1 11 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.538 -0.001 17606 4332 1 11 . 1 1 59 59 ASP C C 59 177.499 177.499 176.420 1.079 17606 4333 1 11 . 1 1 59 59 ASP CA C 59 55.653 55.653 55.227 0.426 17606 4334 1 11 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.119 -0.385 17606 4335 1 11 . 1 1 59 59 ASP H H 59 8.256 8.256 8.821 -0.565 17606 4336 1 11 . 1 1 60 60 ARG N N 60 118.041 118.041 119.680 -1.639 17606 4337 1 11 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.600 -0.309 17606 4338 1 11 . 1 1 60 60 ARG C C 60 174.918 174.918 174.846 0.072 17606 4339 1 11 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.333 0.812 17606 4340 1 11 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.589 -0.580 17606 4341 1 11 . 1 1 60 60 ARG H H 60 7.931 7.931 7.764 0.167 17606 4342 1 11 . 1 1 61 61 ILE N N 61 118.787 118.787 119.237 -0.450 17606 4343 1 11 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.125 -0.008 17606 4344 1 11 . 1 1 61 61 ILE C C 61 175.243 175.243 175.303 -0.060 17606 4345 1 11 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.295 0.118 17606 4346 1 11 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.385 -1.957 17606 4347 1 11 . 1 1 61 61 ILE H H 61 7.463 7.463 7.571 -0.108 17606 4348 1 11 . 1 1 62 62 ILE N N 62 127.975 127.975 123.801 4.174 17606 4349 1 11 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.300 -0.144 17606 4350 1 11 . 1 1 62 62 ILE C C 62 175.867 175.867 174.533 1.334 17606 4351 1 11 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.954 0.482 17606 4352 1 11 . 1 1 62 62 ILE CB C 62 38.319 38.319 37.957 0.362 17606 4353 1 11 . 1 1 62 62 ILE H H 62 8.773 8.773 8.744 0.029 17606 4354 1 11 . 1 1 63 63 TRP N N 63 131.233 131.233 129.326 1.907 17606 4355 1 11 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.926 -0.364 17606 4356 1 11 . 1 1 63 63 TRP C C 63 174.859 174.859 174.379 0.480 17606 4357 1 11 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.225 0.317 17606 4358 1 11 . 1 1 63 63 TRP CB C 63 28.659 28.659 30.018 -1.359 17606 4359 1 11 . 1 1 63 63 TRP H H 63 8.506 8.506 8.393 0.113 17606 4360 1 11 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.482 0.067 17606 4361 1 11 . 1 1 64 64 PRO C C 64 176.966 176.966 175.617 1.349 17606 4362 1 11 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.353 -0.222 17606 4363 1 11 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.706 0.319 17606 4364 1 11 . 1 1 65 65 LEU N N 65 121.886 121.886 128.706 -6.820 17606 4365 1 11 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.387 -0.054 17606 4366 1 11 . 1 1 65 65 LEU C C 65 177.243 177.243 175.296 1.947 17606 4367 1 11 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.678 -0.186 17606 4368 1 11 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.078 -0.708 17606 4369 1 11 . 1 1 65 65 LEU H H 65 8.426 8.426 7.965 0.461 17606 4370 1 11 . 1 1 66 66 ASP N N 66 120.509 120.509 121.288 -0.779 17606 4371 1 11 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.358 0.220 17606 4372 1 11 . 1 1 66 66 ASP C C 66 176.402 176.402 175.492 0.910 17606 4373 1 11 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.712 -1.463 17606 4374 1 11 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.643 0.513 17606 4375 1 11 . 1 1 66 66 ASP H H 66 8.348 8.348 8.398 -0.050 17606 4376 1 11 . 1 1 67 67 LYS N N 67 121.925 121.925 118.487 3.438 17606 4377 1 11 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.382 -0.104 17606 4378 1 11 . 1 1 67 67 LYS C C 67 177.158 177.158 177.123 0.035 17606 4379 1 11 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.489 1.110 17606 4380 1 11 . 1 1 67 67 LYS CB C 67 32.753 32.753 33.613 -0.860 17606 4381 1 11 . 1 1 67 67 LYS H H 67 8.327 8.327 8.107 0.220 17606 4382 1 11 . 1 1 68 68 GLY N N 68 109.417 109.417 107.179 2.238 17606 4383 1 11 . 1 1 68 68 GLY C C 68 174.413 174.413 174.820 -0.407 17606 4384 1 11 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.174 0.449 17606 4385 1 11 . 1 1 68 68 GLY H H 68 8.558 8.558 8.750 -0.192 17606 4386 1 11 . 1 1 69 69 LEU N N 69 120.937 120.937 118.482 2.455 17606 4387 1 11 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.258 -0.003 17606 4388 1 11 . 1 1 69 69 LEU C C 69 177.559 177.559 176.479 1.080 17606 4389 1 11 . 1 1 69 69 LEU CA C 69 55.326 55.326 55.071 0.255 17606 4390 1 11 . 1 1 69 69 LEU CB C 69 42.169 42.169 42.197 -0.028 17606 4391 1 11 . 1 1 69 69 LEU H H 69 7.972 7.972 8.107 -0.135 17606 4392 1 11 . 1 1 70 70 GLU N N 70 120.764 120.764 118.182 2.582 17606 4393 1 11 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.105 0.021 17606 4394 1 11 . 1 1 70 70 GLU C C 70 176.435 176.435 175.562 0.873 17606 4395 1 11 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.820 0.330 17606 4396 1 11 . 1 1 70 70 GLU CB C 70 29.859 29.859 29.674 0.185 17606 4397 1 11 . 1 1 70 70 GLU H H 70 8.443 8.443 7.829 0.614 17606 4398 1 11 . 1 1 71 71 HIS N N 71 119.554 119.554 121.598 -2.044 17606 4399 1 11 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.743 -0.145 17606 4400 1 11 . 1 1 71 71 HIS C C 71 174.001 174.001 176.641 -2.640 17606 4401 1 11 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.629 0.449 17606 4402 1 11 . 1 1 71 71 HIS CB C 71 30.551 30.551 31.616 -1.065 17606 4403 1 11 . 1 1 71 71 HIS H H 71 8.223 8.223 8.238 -0.015 17606 4404 1 11 . 1 1 72 72 HIS N N 72 125.509 125.509 121.262 4.247 17606 4405 1 11 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.383 0.031 17606 4406 1 11 . 1 1 72 72 HIS C C 72 179.225 179.225 175.169 4.056 17606 4407 1 11 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.836 -0.473 17606 4408 1 11 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.217 0.233 17606 4409 1 11 . 1 1 72 72 HIS H H 72 8.101 8.101 8.759 -0.658 17606 4410 1 11 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.748 -0.204 17606 4411 1 11 . 1 1 73 73 HIS CA C 73 56.078 56.078 54.558 1.520 17606 4412 1 11 . 1 1 73 73 HIS CB C 73 30.551 30.551 29.400 1.151 17606 4413 1 11 . 1 1 74 74 HIS N N 74 120.202 120.202 123.489 -3.287 17606 4414 1 11 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.527 -0.325 17606 4415 1 11 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.623 0.412 17606 4416 1 11 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.393 -0.161 17606 4417 1 11 . 1 1 74 74 HIS H H 74 8.189 8.189 8.597 -0.408 17606 4418 1 11 . 1 1 75 75 HIS N N 75 120.367 120.367 122.644 -2.277 17606 4419 1 11 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.465 -0.042 17606 4420 1 11 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.799 -1.284 17606 4421 1 11 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.114 3.154 17606 4422 1 11 . 1 1 75 75 HIS H H 75 8.258 8.258 8.556 -0.298 17606 4423 1 12 . 1 1 2 2 ASP N N 2 121.539 121.539 116.762 4.777 17606 4424 1 12 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.294 0.261 17606 4425 1 12 . 1 1 2 2 ASP C C 2 176.030 176.030 175.866 0.164 17606 4426 1 12 . 1 1 2 2 ASP CA C 2 54.553 54.553 56.096 -1.543 17606 4427 1 12 . 1 1 2 2 ASP CB C 2 41.304 41.304 40.291 1.013 17606 4428 1 12 . 1 1 2 2 ASP H H 2 8.515 8.515 8.518 -0.003 17606 4429 1 12 . 1 1 3 3 MET N N 3 120.469 120.469 121.424 -0.955 17606 4430 1 12 . 1 1 3 3 MET HA H 3 4.472 4.472 4.601 -0.129 17606 4431 1 12 . 1 1 3 3 MET C C 3 176.040 176.040 175.457 0.583 17606 4432 1 12 . 1 1 3 3 MET CA C 3 55.373 55.373 55.661 -0.288 17606 4433 1 12 . 1 1 3 3 MET CB C 3 33.196 33.196 33.462 -0.266 17606 4434 1 12 . 1 1 3 3 MET H H 3 8.340 8.340 7.883 0.457 17606 4435 1 12 . 1 1 4 4 GLU N N 4 123.512 123.512 121.267 2.245 17606 4436 1 12 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.404 0.134 17606 4437 1 12 . 1 1 4 4 GLU C C 4 174.592 174.592 175.108 -0.516 17606 4438 1 12 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.278 0.276 17606 4439 1 12 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.532 0.114 17606 4440 1 12 . 1 1 4 4 GLU H H 4 8.424 8.424 8.651 -0.227 17606 4441 1 12 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.421 -0.019 17606 4442 1 12 . 1 1 5 5 PRO C C 5 176.669 176.669 176.162 0.507 17606 4443 1 12 . 1 1 5 5 PRO CA C 5 63.491 63.491 62.854 0.637 17606 4444 1 12 . 1 1 5 5 PRO CB C 5 32.002 32.002 30.677 1.325 17606 4445 1 12 . 1 1 6 6 CYS N N 6 119.970 119.970 121.741 -1.771 17606 4446 1 12 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.350 0.172 17606 4447 1 12 . 1 1 6 6 CYS C C 6 175.020 175.020 176.161 -1.141 17606 4448 1 12 . 1 1 6 6 CYS CA C 6 58.662 58.662 60.094 -1.432 17606 4449 1 12 . 1 1 6 6 CYS CB C 6 27.638 27.638 28.632 -0.994 17606 4450 1 12 . 1 1 6 6 CYS H H 6 8.539 8.539 8.320 0.219 17606 4451 1 12 . 1 1 7 7 LEU N N 7 125.146 125.146 116.123 9.023 17606 4452 1 12 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.025 0.408 17606 4453 1 12 . 1 1 7 7 LEU C C 7 178.244 178.244 176.154 2.090 17606 4454 1 12 . 1 1 7 7 LEU CA C 7 55.361 55.361 57.085 -1.724 17606 4455 1 12 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.451 2.236 17606 4456 1 12 . 1 1 7 7 LEU H H 7 8.649 8.649 8.524 0.125 17606 4457 1 12 . 1 1 8 8 THR N N 8 116.760 116.760 114.781 1.979 17606 4458 1 12 . 1 1 8 8 THR HA H 8 3.966 3.966 3.985 -0.019 17606 4459 1 12 . 1 1 8 8 THR C C 8 175.108 175.108 175.614 -0.506 17606 4460 1 12 . 1 1 8 8 THR CA C 8 64.244 64.244 64.457 -0.213 17606 4461 1 12 . 1 1 8 8 THR CB C 8 69.071 69.071 68.735 0.336 17606 4462 1 12 . 1 1 8 8 THR H H 8 8.124 8.124 8.042 0.082 17606 4463 1 12 . 1 1 9 9 GLY N N 9 113.810 113.810 116.282 -2.472 17606 4464 1 12 . 1 1 9 9 GLY C C 9 174.510 174.510 174.636 -0.126 17606 4465 1 12 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.799 0.213 17606 4466 1 12 . 1 1 9 9 GLY H H 9 9.095 9.095 8.828 0.267 17606 4467 1 12 . 1 1 10 10 THR N N 10 116.938 116.938 120.535 -3.597 17606 4468 1 12 . 1 1 10 10 THR HA H 10 4.179 4.179 4.295 -0.116 17606 4469 1 12 . 1 1 10 10 THR C C 10 173.450 173.450 173.594 -0.144 17606 4470 1 12 . 1 1 10 10 THR CA C 10 64.192 64.192 63.540 0.652 17606 4471 1 12 . 1 1 10 10 THR CB C 10 70.093 70.093 69.561 0.533 17606 4472 1 12 . 1 1 10 10 THR H H 10 8.002 8.002 8.127 -0.125 17606 4473 1 12 . 1 1 11 11 LYS N N 11 127.263 127.263 127.408 -0.145 17606 4474 1 12 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.904 -0.078 17606 4475 1 12 . 1 1 11 11 LYS C C 11 176.157 176.157 175.634 0.523 17606 4476 1 12 . 1 1 11 11 LYS CA C 11 56.741 56.741 54.754 1.987 17606 4477 1 12 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.462 0.093 17606 4478 1 12 . 1 1 11 11 LYS H H 11 8.514 8.514 8.368 0.146 17606 4479 1 12 . 1 1 12 12 VAL N N 12 116.892 116.892 117.524 -0.632 17606 4480 1 12 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.291 0.299 17606 4481 1 12 . 1 1 12 12 VAL C C 12 174.476 174.476 174.497 -0.021 17606 4482 1 12 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.354 -0.142 17606 4483 1 12 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.600 -0.056 17606 4484 1 12 . 1 1 12 12 VAL H H 12 8.738 8.738 8.950 -0.212 17606 4485 1 12 . 1 1 13 13 LYS N N 13 118.427 118.427 120.476 -2.049 17606 4486 1 12 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.928 0.195 17606 4487 1 12 . 1 1 13 13 LYS C C 13 174.853 174.853 175.138 -0.285 17606 4488 1 12 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.259 0.724 17606 4489 1 12 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.798 0.988 17606 4490 1 12 . 1 1 13 13 LYS H H 13 7.677 7.677 8.137 -0.460 17606 4491 1 12 . 1 1 14 14 VAL N N 14 120.913 120.913 124.419 -3.506 17606 4492 1 12 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.353 0.473 17606 4493 1 12 . 1 1 14 14 VAL C C 14 175.645 175.645 174.023 1.622 17606 4494 1 12 . 1 1 14 14 VAL CA C 14 60.391 60.391 61.352 -0.961 17606 4495 1 12 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.128 0.899 17606 4496 1 12 . 1 1 14 14 VAL H H 14 9.178 9.178 9.274 -0.096 17606 4497 1 12 . 1 1 15 15 LYS N N 15 125.862 125.862 127.562 -1.700 17606 4498 1 12 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.660 -0.078 17606 4499 1 12 . 1 1 15 15 LYS C C 15 175.430 175.430 174.335 1.095 17606 4500 1 12 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.413 1.278 17606 4501 1 12 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.479 -0.715 17606 4502 1 12 . 1 1 15 15 LYS H H 15 9.010 9.010 8.434 0.576 17606 4503 1 12 . 1 1 16 16 TYR N N 16 127.499 127.499 127.993 -0.494 17606 4504 1 12 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.776 -0.138 17606 4505 1 12 . 1 1 16 16 TYR C C 16 175.096 175.096 173.667 1.429 17606 4506 1 12 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.052 1.296 17606 4507 1 12 . 1 1 16 16 TYR CB C 16 42.493 42.493 42.159 0.334 17606 4508 1 12 . 1 1 16 16 TYR H H 16 9.305 9.305 8.987 0.318 17606 4509 1 12 . 1 1 17 17 GLY N N 17 115.501 115.501 112.944 2.557 17606 4510 1 12 . 1 1 17 17 GLY C C 17 173.380 173.380 171.857 1.523 17606 4511 1 12 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.252 -1.036 17606 4512 1 12 . 1 1 17 17 GLY H H 17 8.383 8.383 7.928 0.455 17606 4513 1 12 . 1 1 18 18 ARG N N 18 117.847 117.847 118.712 -0.865 17606 4514 1 12 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.588 0.017 17606 4515 1 12 . 1 1 18 18 ARG C C 18 175.941 175.941 175.996 -0.055 17606 4516 1 12 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.965 0.375 17606 4517 1 12 . 1 1 18 18 ARG CB C 18 33.186 33.186 32.224 0.962 17606 4518 1 12 . 1 1 18 18 ARG H H 18 8.305 8.305 8.992 -0.687 17606 4519 1 12 . 1 1 19 19 GLY N N 19 110.572 110.572 115.685 -5.113 17606 4520 1 12 . 1 1 19 19 GLY C C 19 176.227 176.227 174.345 1.882 17606 4521 1 12 . 1 1 19 19 GLY CA C 19 45.890 45.890 45.703 0.187 17606 4522 1 12 . 1 1 19 19 GLY H H 19 8.857 8.857 8.563 0.294 17606 4523 1 12 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.276 -0.092 17606 4524 1 12 . 1 1 20 20 LYS C C 20 177.694 177.694 177.033 0.661 17606 4525 1 12 . 1 1 20 20 LYS CA C 20 58.379 58.379 56.822 1.557 17606 4526 1 12 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.986 -0.493 17606 4527 1 12 . 1 1 20 20 LYS H H 20 6.723 6.723 8.453 -1.730 17606 4528 1 12 . 1 1 21 21 THR N N 21 108.329 108.329 117.032 -8.703 17606 4529 1 12 . 1 1 21 21 THR HA H 21 4.437 4.437 4.263 0.174 17606 4530 1 12 . 1 1 21 21 THR C C 21 173.999 173.999 172.644 1.355 17606 4531 1 12 . 1 1 21 21 THR CA C 21 60.895 60.895 62.056 -1.161 17606 4532 1 12 . 1 1 21 21 THR CB C 21 68.907 68.907 68.656 0.251 17606 4533 1 12 . 1 1 21 21 THR H H 21 7.839 7.839 7.867 -0.028 17606 4534 1 12 . 1 1 22 22 GLN N N 22 123.126 123.126 129.484 -6.358 17606 4535 1 12 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.653 -0.223 17606 4536 1 12 . 1 1 22 22 GLN C C 22 175.190 175.190 174.280 0.910 17606 4537 1 12 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.618 2.177 17606 4538 1 12 . 1 1 22 22 GLN CB C 22 31.031 31.031 31.541 -0.510 17606 4539 1 12 . 1 1 22 22 GLN H H 22 7.503 7.503 8.406 -0.903 17606 4540 1 12 . 1 1 23 23 LYS N N 23 126.763 126.763 125.592 1.171 17606 4541 1 12 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.645 -0.108 17606 4542 1 12 . 1 1 23 23 LYS C C 23 174.087 174.087 174.483 -0.396 17606 4543 1 12 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.236 0.208 17606 4544 1 12 . 1 1 23 23 LYS CB C 23 36.495 36.495 34.816 1.679 17606 4545 1 12 . 1 1 23 23 LYS H H 23 8.937 8.937 8.724 0.213 17606 4546 1 12 . 1 1 24 24 ILE N N 24 120.287 120.287 121.747 -1.460 17606 4547 1 12 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.562 0.188 17606 4548 1 12 . 1 1 24 24 ILE C C 24 175.772 175.772 175.235 0.537 17606 4549 1 12 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.842 0.078 17606 4550 1 12 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.399 -0.145 17606 4551 1 12 . 1 1 24 24 ILE H H 24 7.980 7.980 8.103 -0.123 17606 4552 1 12 . 1 1 25 25 TYR N N 25 126.020 126.020 125.834 0.186 17606 4553 1 12 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.183 0.888 17606 4554 1 12 . 1 1 25 25 TYR C C 25 175.859 175.859 174.433 1.426 17606 4555 1 12 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.104 0.756 17606 4556 1 12 . 1 1 25 25 TYR CB C 25 42.467 42.467 41.074 1.393 17606 4557 1 12 . 1 1 25 25 TYR H H 25 8.885 8.885 8.983 -0.098 17606 4558 1 12 . 1 1 26 26 GLU N N 26 121.186 121.186 119.252 1.934 17606 4559 1 12 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.158 -0.516 17606 4560 1 12 . 1 1 26 26 GLU C C 26 176.001 176.001 175.193 0.808 17606 4561 1 12 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.427 1.701 17606 4562 1 12 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.879 -2.156 17606 4563 1 12 . 1 1 26 26 GLU H H 26 8.915 8.915 8.542 0.373 17606 4564 1 12 . 1 1 27 27 ALA N N 27 125.281 125.281 126.940 -1.659 17606 4565 1 12 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.166 -0.196 17606 4566 1 12 . 1 1 27 27 ALA C C 27 175.178 175.178 175.583 -0.405 17606 4567 1 12 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.546 0.769 17606 4568 1 12 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.982 1.673 17606 4569 1 12 . 1 1 27 27 ALA H H 27 8.834 8.834 9.349 -0.515 17606 4570 1 12 . 1 1 28 28 SER N N 28 112.133 112.133 113.558 -1.425 17606 4571 1 12 . 1 1 28 28 SER HA H 28 5.328 5.328 5.342 -0.014 17606 4572 1 12 . 1 1 28 28 SER C C 28 174.404 174.404 173.779 0.625 17606 4573 1 12 . 1 1 28 28 SER CA C 28 56.133 56.133 56.702 -0.569 17606 4574 1 12 . 1 1 28 28 SER CB C 28 66.075 66.075 65.924 0.151 17606 4575 1 12 . 1 1 28 28 SER H H 28 8.529 8.529 8.686 -0.157 17606 4576 1 12 . 1 1 29 29 ILE N N 29 122.044 122.044 126.110 -4.066 17606 4577 1 12 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.745 0.397 17606 4578 1 12 . 1 1 29 29 ILE C C 29 176.473 176.473 176.277 0.196 17606 4579 1 12 . 1 1 29 29 ILE CA C 29 61.561 61.561 61.590 -0.029 17606 4580 1 12 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.535 1.489 17606 4581 1 12 . 1 1 29 29 ILE H H 29 8.431 8.431 8.922 -0.491 17606 4582 1 12 . 1 1 30 30 LYS N N 30 128.795 128.795 128.545 0.250 17606 4583 1 12 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.368 0.042 17606 4584 1 12 . 1 1 30 30 LYS C C 30 176.559 176.559 176.200 0.359 17606 4585 1 12 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.370 0.639 17606 4586 1 12 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.731 -0.850 17606 4587 1 12 . 1 1 30 30 LYS H H 30 9.687 9.687 8.917 0.770 17606 4588 1 12 . 1 1 31 31 SER N N 31 111.044 111.044 113.562 -2.518 17606 4589 1 12 . 1 1 31 31 SER HA H 31 4.671 4.671 4.744 -0.073 17606 4590 1 12 . 1 1 31 31 SER C C 31 172.457 172.457 171.887 0.570 17606 4591 1 12 . 1 1 31 31 SER CA C 31 57.353 57.353 57.462 -0.109 17606 4592 1 12 . 1 1 31 31 SER CB C 31 64.824 64.824 64.364 0.460 17606 4593 1 12 . 1 1 31 31 SER H H 31 7.537 7.537 8.058 -0.521 17606 4594 1 12 . 1 1 32 32 THR N N 32 113.911 113.911 119.036 -5.125 17606 4595 1 12 . 1 1 32 32 THR HA H 32 5.564 5.564 4.913 0.651 17606 4596 1 12 . 1 1 32 32 THR C C 32 173.003 173.003 173.537 -0.534 17606 4597 1 12 . 1 1 32 32 THR CA C 32 60.589 60.589 61.304 -0.715 17606 4598 1 12 . 1 1 32 32 THR CB C 32 72.217 72.217 71.077 1.140 17606 4599 1 12 . 1 1 32 32 THR H H 32 8.237 8.237 8.495 -0.258 17606 4600 1 12 . 1 1 33 33 GLU N N 33 123.514 123.514 124.627 -1.113 17606 4601 1 12 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.649 -0.021 17606 4602 1 12 . 1 1 33 33 GLU C C 33 173.487 173.487 174.788 -1.301 17606 4603 1 12 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.139 0.318 17606 4604 1 12 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.221 -0.122 17606 4605 1 12 . 1 1 33 33 GLU H H 33 8.970 8.970 9.004 -0.034 17606 4606 1 12 . 1 1 34 34 ILE N N 34 122.095 122.095 121.736 0.359 17606 4607 1 12 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.613 0.122 17606 4608 1 12 . 1 1 34 34 ILE C C 34 175.620 175.620 175.382 0.238 17606 4609 1 12 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.488 -0.441 17606 4610 1 12 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.472 -0.815 17606 4611 1 12 . 1 1 34 34 ILE H H 34 8.505 8.505 8.602 -0.097 17606 4612 1 12 . 1 1 35 35 ASP N N 35 127.840 127.840 129.650 -1.810 17606 4613 1 12 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.763 0.010 17606 4614 1 12 . 1 1 35 35 ASP C C 35 175.804 175.804 175.321 0.483 17606 4615 1 12 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.502 -0.267 17606 4616 1 12 . 1 1 35 35 ASP CB C 35 43.419 43.419 42.770 0.649 17606 4617 1 12 . 1 1 35 35 ASP H H 35 8.948 8.948 9.127 -0.179 17606 4618 1 12 . 1 1 36 36 ASP N N 36 127.315 127.315 125.367 1.948 17606 4619 1 12 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.312 -0.049 17606 4620 1 12 . 1 1 36 36 ASP C C 36 175.993 175.993 176.594 -0.601 17606 4621 1 12 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.553 0.567 17606 4622 1 12 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.516 -0.857 17606 4623 1 12 . 1 1 36 36 ASP H H 36 9.065 9.065 8.669 0.396 17606 4624 1 12 . 1 1 37 37 GLY N N 37 103.112 103.112 108.080 -4.968 17606 4625 1 12 . 1 1 37 37 GLY C C 37 173.541 173.541 173.755 -0.214 17606 4626 1 12 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.108 0.363 17606 4627 1 12 . 1 1 37 37 GLY H H 37 8.045 8.045 8.398 -0.353 17606 4628 1 12 . 1 1 38 38 GLU N N 38 121.172 121.172 120.808 0.364 17606 4629 1 12 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.678 -0.027 17606 4630 1 12 . 1 1 38 38 GLU C C 38 174.246 174.246 175.263 -1.017 17606 4631 1 12 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.681 0.038 17606 4632 1 12 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.851 0.354 17606 4633 1 12 . 1 1 38 38 GLU H H 38 7.769 7.769 7.772 -0.003 17606 4634 1 12 . 1 1 39 39 VAL N N 39 123.983 123.983 122.670 1.313 17606 4635 1 12 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.435 -0.225 17606 4636 1 12 . 1 1 39 39 VAL C C 39 174.546 174.546 175.068 -0.522 17606 4637 1 12 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.663 1.378 17606 4638 1 12 . 1 1 39 39 VAL CB C 39 32.269 32.269 31.991 0.278 17606 4639 1 12 . 1 1 39 39 VAL H H 39 8.455 8.455 8.691 -0.236 17606 4640 1 12 . 1 1 40 40 LEU N N 40 127.105 127.105 127.166 -0.061 17606 4641 1 12 . 1 1 40 40 LEU HA H 40 5.092 5.092 4.833 0.259 17606 4642 1 12 . 1 1 40 40 LEU C C 40 175.819 175.819 175.469 0.350 17606 4643 1 12 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.736 -0.483 17606 4644 1 12 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.462 2.028 17606 4645 1 12 . 1 1 40 40 LEU H H 40 8.947 8.947 8.992 -0.045 17606 4646 1 12 . 1 1 41 41 TYR N N 41 119.021 119.021 120.046 -1.025 17606 4647 1 12 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.834 0.273 17606 4648 1 12 . 1 1 41 41 TYR C C 41 173.968 173.968 174.414 -0.446 17606 4649 1 12 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.184 -0.328 17606 4650 1 12 . 1 1 41 41 TYR CB C 41 41.142 41.142 40.800 0.342 17606 4651 1 12 . 1 1 41 41 TYR H H 41 9.337 9.337 9.317 0.020 17606 4652 1 12 . 1 1 42 42 LEU N N 42 128.770 128.770 125.005 3.765 17606 4653 1 12 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.631 -0.658 17606 4654 1 12 . 1 1 42 42 LEU C C 42 175.491 175.491 174.443 1.048 17606 4655 1 12 . 1 1 42 42 LEU CA C 42 53.367 53.367 53.111 0.256 17606 4656 1 12 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.973 -3.277 17606 4657 1 12 . 1 1 42 42 LEU H H 42 8.304 8.304 8.950 -0.646 17606 4658 1 12 . 1 1 43 43 VAL N N 43 121.269 121.269 126.705 -5.436 17606 4659 1 12 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.574 0.406 17606 4660 1 12 . 1 1 43 43 VAL C C 43 173.257 173.257 173.305 -0.048 17606 4661 1 12 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.237 -0.926 17606 4662 1 12 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.175 -1.121 17606 4663 1 12 . 1 1 43 43 VAL H H 43 8.847 8.847 8.910 -0.063 17606 4664 1 12 . 1 1 44 44 HIS N N 44 118.126 118.126 123.543 -5.417 17606 4665 1 12 . 1 1 44 44 HIS C C 44 174.272 174.272 173.918 0.354 17606 4666 1 12 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.444 0.875 17606 4667 1 12 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.468 -1.452 17606 4668 1 12 . 1 1 44 44 HIS H H 44 8.286 8.286 8.191 0.095 17606 4669 1 12 . 1 1 45 45 TYR N N 45 127.711 127.711 121.199 6.512 17606 4670 1 12 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.758 -0.659 17606 4671 1 12 . 1 1 45 45 TYR C C 45 175.343 175.343 176.252 -0.909 17606 4672 1 12 . 1 1 45 45 TYR CA C 45 58.240 58.240 56.606 1.634 17606 4673 1 12 . 1 1 45 45 TYR CB C 45 37.500 37.500 36.546 0.954 17606 4674 1 12 . 1 1 45 45 TYR H H 45 8.013 8.013 7.943 0.070 17606 4675 1 12 . 1 1 46 46 TYR N N 46 121.373 121.373 123.861 -2.488 17606 4676 1 12 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.691 -0.477 17606 4677 1 12 . 1 1 46 46 TYR CA C 46 58.945 58.945 58.681 0.264 17606 4678 1 12 . 1 1 46 46 TYR CB C 46 38.400 38.400 38.213 0.187 17606 4679 1 12 . 1 1 46 46 TYR H H 46 7.842 7.842 8.322 -0.480 17606 4680 1 12 . 1 1 47 47 GLY CA C 47 45.147 45.147 46.046 -0.899 17606 4681 1 12 . 1 1 48 48 TRP N N 48 121.413 121.413 124.824 -3.411 17606 4682 1 12 . 1 1 48 48 TRP CA C 48 55.966 55.966 59.102 -3.136 17606 4683 1 12 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.405 -0.006 17606 4684 1 12 . 1 1 48 48 TRP H H 48 8.105 8.105 8.035 0.070 17606 4685 1 12 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.997 0.177 17606 4686 1 12 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.560 -1.677 17606 4687 1 12 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.115 0.109 17606 4688 1 12 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.254 -0.136 17606 4689 1 12 . 1 1 51 51 ARG C C 51 176.010 176.010 174.988 1.022 17606 4690 1 12 . 1 1 51 51 ARG CA C 51 57.004 57.004 55.432 1.572 17606 4691 1 12 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.011 -0.077 17606 4692 1 12 . 1 1 52 52 TYR N N 52 119.263 119.263 122.263 -3.000 17606 4693 1 12 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.569 0.067 17606 4694 1 12 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.578 1.421 17606 4695 1 12 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.937 -0.133 17606 4696 1 12 . 1 1 52 52 TYR H H 52 7.860 7.860 7.310 0.550 17606 4697 1 12 . 1 1 53 53 ASP N N 53 122.103 122.103 128.423 -6.320 17606 4698 1 12 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.739 0.238 17606 4699 1 12 . 1 1 53 53 ASP CA C 53 55.272 55.272 53.915 1.357 17606 4700 1 12 . 1 1 53 53 ASP CB C 53 40.304 40.304 42.365 -2.061 17606 4701 1 12 . 1 1 53 53 ASP H H 53 8.014 8.014 7.935 0.079 17606 4702 1 12 . 1 1 54 54 GLU N N 54 119.733 119.733 124.131 -4.398 17606 4703 1 12 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.452 0.321 17606 4704 1 12 . 1 1 54 54 GLU C C 54 174.099 174.099 174.872 -0.773 17606 4705 1 12 . 1 1 54 54 GLU CA C 54 54.878 54.878 53.902 0.976 17606 4706 1 12 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.382 0.749 17606 4707 1 12 . 1 1 54 54 GLU H H 54 8.018 8.018 8.681 -0.663 17606 4708 1 12 . 1 1 55 55 TRP N N 55 124.675 124.675 123.751 0.924 17606 4709 1 12 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.638 -0.394 17606 4710 1 12 . 1 1 55 55 TRP C C 55 177.088 177.088 176.368 0.720 17606 4711 1 12 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.036 0.353 17606 4712 1 12 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.365 -0.952 17606 4713 1 12 . 1 1 55 55 TRP H H 55 8.760 8.760 8.541 0.219 17606 4714 1 12 . 1 1 56 56 VAL N N 56 119.873 119.873 117.740 2.133 17606 4715 1 12 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.760 0.164 17606 4716 1 12 . 1 1 56 56 VAL C C 56 174.866 174.866 174.426 0.440 17606 4717 1 12 . 1 1 56 56 VAL CA C 56 58.968 58.968 59.188 -0.220 17606 4718 1 12 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.127 0.734 17606 4719 1 12 . 1 1 56 56 VAL H H 56 10.006 10.006 8.828 1.178 17606 4720 1 12 . 1 1 57 57 LYS N N 57 120.466 120.466 124.539 -4.073 17606 4721 1 12 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.950 -0.085 17606 4722 1 12 . 1 1 57 57 LYS C C 57 178.120 178.120 177.918 0.202 17606 4723 1 12 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.324 0.117 17606 4724 1 12 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.374 -0.190 17606 4725 1 12 . 1 1 57 57 LYS H H 57 8.361 8.361 8.521 -0.160 17606 4726 1 12 . 1 1 58 58 ALA N N 58 120.318 120.318 123.803 -3.485 17606 4727 1 12 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.086 0.068 17606 4728 1 12 . 1 1 58 58 ALA C C 58 179.508 179.508 179.073 0.435 17606 4729 1 12 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.530 0.159 17606 4730 1 12 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.827 0.647 17606 4731 1 12 . 1 1 58 58 ALA H H 58 9.064 9.064 9.319 -0.255 17606 4732 1 12 . 1 1 59 59 ASP N N 59 113.824 113.824 116.091 -2.267 17606 4733 1 12 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.492 0.045 17606 4734 1 12 . 1 1 59 59 ASP C C 59 177.499 177.499 176.536 0.963 17606 4735 1 12 . 1 1 59 59 ASP CA C 59 55.653 55.653 55.219 0.434 17606 4736 1 12 . 1 1 59 59 ASP CB C 59 39.734 39.734 39.923 -0.189 17606 4737 1 12 . 1 1 59 59 ASP H H 59 8.256 8.256 8.663 -0.407 17606 4738 1 12 . 1 1 60 60 ARG N N 60 118.041 118.041 118.345 -0.304 17606 4739 1 12 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.445 -0.154 17606 4740 1 12 . 1 1 60 60 ARG C C 60 174.918 174.918 175.135 -0.217 17606 4741 1 12 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.297 0.847 17606 4742 1 12 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.169 -0.160 17606 4743 1 12 . 1 1 60 60 ARG H H 60 7.931 7.931 7.823 0.108 17606 4744 1 12 . 1 1 61 61 ILE N N 61 118.787 118.787 118.621 0.166 17606 4745 1 12 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.646 -0.529 17606 4746 1 12 . 1 1 61 61 ILE C C 61 175.243 175.243 175.610 -0.367 17606 4747 1 12 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.684 0.729 17606 4748 1 12 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.443 -2.015 17606 4749 1 12 . 1 1 61 61 ILE H H 61 7.463 7.463 7.218 0.245 17606 4750 1 12 . 1 1 62 62 ILE N N 62 127.975 127.975 124.843 3.132 17606 4751 1 12 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.366 -0.210 17606 4752 1 12 . 1 1 62 62 ILE C C 62 175.867 175.867 174.879 0.988 17606 4753 1 12 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.794 0.642 17606 4754 1 12 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.830 -0.511 17606 4755 1 12 . 1 1 62 62 ILE H H 62 8.773 8.773 8.887 -0.114 17606 4756 1 12 . 1 1 63 63 TRP N N 63 131.233 131.233 129.351 1.882 17606 4757 1 12 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.805 -0.243 17606 4758 1 12 . 1 1 63 63 TRP C C 63 174.859 174.859 174.648 0.211 17606 4759 1 12 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.747 -0.205 17606 4760 1 12 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.047 -0.388 17606 4761 1 12 . 1 1 63 63 TRP H H 63 8.506 8.506 8.574 -0.068 17606 4762 1 12 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.517 0.032 17606 4763 1 12 . 1 1 64 64 PRO C C 64 176.966 176.966 175.642 1.324 17606 4764 1 12 . 1 1 64 64 PRO CA C 64 63.131 63.131 62.857 0.274 17606 4765 1 12 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.966 0.059 17606 4766 1 12 . 1 1 65 65 LEU N N 65 121.886 121.886 125.537 -3.651 17606 4767 1 12 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.414 -0.081 17606 4768 1 12 . 1 1 65 65 LEU C C 65 177.243 177.243 175.771 1.472 17606 4769 1 12 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.367 0.125 17606 4770 1 12 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.195 -0.825 17606 4771 1 12 . 1 1 65 65 LEU H H 65 8.426 8.426 8.105 0.321 17606 4772 1 12 . 1 1 66 66 ASP N N 66 120.509 120.509 122.377 -1.868 17606 4773 1 12 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.379 0.199 17606 4774 1 12 . 1 1 66 66 ASP C C 66 176.402 176.402 176.363 0.039 17606 4775 1 12 . 1 1 66 66 ASP CA C 66 54.249 54.249 54.815 -0.566 17606 4776 1 12 . 1 1 66 66 ASP CB C 66 41.156 41.156 41.020 0.136 17606 4777 1 12 . 1 1 66 66 ASP H H 66 8.348 8.348 8.557 -0.209 17606 4778 1 12 . 1 1 67 67 LYS N N 67 121.925 121.925 122.934 -1.009 17606 4779 1 12 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.242 0.036 17606 4780 1 12 . 1 1 67 67 LYS C C 67 177.158 177.158 177.549 -0.391 17606 4781 1 12 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.999 -0.400 17606 4782 1 12 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.851 -0.098 17606 4783 1 12 . 1 1 67 67 LYS H H 67 8.327 8.327 8.391 -0.064 17606 4784 1 12 . 1 1 68 68 GLY N N 68 109.417 109.417 106.325 3.092 17606 4785 1 12 . 1 1 68 68 GLY C C 68 174.413 174.413 174.072 0.341 17606 4786 1 12 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.776 0.847 17606 4787 1 12 . 1 1 68 68 GLY H H 68 8.558 8.558 8.205 0.353 17606 4788 1 12 . 1 1 69 69 LEU N N 69 120.937 120.937 120.935 0.002 17606 4789 1 12 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.607 -0.352 17606 4790 1 12 . 1 1 69 69 LEU C C 69 177.559 177.559 176.195 1.364 17606 4791 1 12 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.323 1.003 17606 4792 1 12 . 1 1 69 69 LEU CB C 69 42.169 42.169 42.243 -0.074 17606 4793 1 12 . 1 1 69 69 LEU H H 69 7.972 7.972 7.717 0.255 17606 4794 1 12 . 1 1 70 70 GLU N N 70 120.764 120.764 123.589 -2.825 17606 4795 1 12 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.305 -0.179 17606 4796 1 12 . 1 1 70 70 GLU C C 70 176.435 176.435 176.246 0.189 17606 4797 1 12 . 1 1 70 70 GLU CA C 70 57.150 57.150 57.104 0.046 17606 4798 1 12 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.282 -0.423 17606 4799 1 12 . 1 1 70 70 GLU H H 70 8.443 8.443 8.845 -0.402 17606 4800 1 12 . 1 1 71 71 HIS N N 71 119.554 119.554 120.263 -0.709 17606 4801 1 12 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.806 -0.208 17606 4802 1 12 . 1 1 71 71 HIS C C 71 174.001 174.001 175.554 -1.553 17606 4803 1 12 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.849 0.230 17606 4804 1 12 . 1 1 71 71 HIS CB C 71 30.551 30.551 28.821 1.730 17606 4805 1 12 . 1 1 71 71 HIS H H 71 8.223 8.223 8.347 -0.124 17606 4806 1 12 . 1 1 72 72 HIS N N 72 125.509 125.509 122.839 2.670 17606 4807 1 12 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.225 0.189 17606 4808 1 12 . 1 1 72 72 HIS C C 72 179.225 179.225 176.277 2.948 17606 4809 1 12 . 1 1 72 72 HIS CA C 72 57.363 57.363 59.801 -2.438 17606 4810 1 12 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.175 0.275 17606 4811 1 12 . 1 1 72 72 HIS H H 72 8.101 8.101 8.413 -0.312 17606 4812 1 12 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.562 -0.018 17606 4813 1 12 . 1 1 73 73 HIS CA C 73 56.078 56.078 57.214 -1.136 17606 4814 1 12 . 1 1 73 73 HIS CB C 73 30.551 30.551 30.283 0.268 17606 4815 1 12 . 1 1 74 74 HIS N N 74 120.202 120.202 116.654 3.548 17606 4816 1 12 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.278 -0.076 17606 4817 1 12 . 1 1 74 74 HIS CA C 74 56.035 56.035 57.095 -1.060 17606 4818 1 12 . 1 1 74 74 HIS CB C 74 30.232 30.232 28.738 1.494 17606 4819 1 12 . 1 1 74 74 HIS H H 74 8.189 8.189 8.265 -0.076 17606 4820 1 12 . 1 1 75 75 HIS N N 75 120.367 120.367 118.173 2.194 17606 4821 1 12 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.725 -0.302 17606 4822 1 12 . 1 1 75 75 HIS CA C 75 55.515 55.515 55.086 0.429 17606 4823 1 12 . 1 1 75 75 HIS CB C 75 33.268 33.268 31.026 2.242 17606 4824 1 12 . 1 1 75 75 HIS H H 75 8.258 8.258 7.981 0.277 17606 4825 1 13 . 1 1 2 2 ASP N N 2 121.539 121.539 121.083 0.456 17606 4826 1 13 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.592 -0.037 17606 4827 1 13 . 1 1 2 2 ASP C C 2 176.030 176.030 175.955 0.075 17606 4828 1 13 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.889 -0.336 17606 4829 1 13 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.008 0.296 17606 4830 1 13 . 1 1 2 2 ASP H H 2 8.515 8.515 8.305 0.210 17606 4831 1 13 . 1 1 3 3 MET N N 3 120.469 120.469 120.703 -0.234 17606 4832 1 13 . 1 1 3 3 MET HA H 3 4.472 4.472 4.363 0.109 17606 4833 1 13 . 1 1 3 3 MET C C 3 176.040 176.040 175.546 0.494 17606 4834 1 13 . 1 1 3 3 MET CA C 3 55.373 55.373 56.006 -0.633 17606 4835 1 13 . 1 1 3 3 MET CB C 3 33.196 33.196 32.792 0.404 17606 4836 1 13 . 1 1 3 3 MET H H 3 8.340 8.340 7.624 0.716 17606 4837 1 13 . 1 1 4 4 GLU N N 4 123.512 123.512 129.236 -5.724 17606 4838 1 13 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.614 -0.076 17606 4839 1 13 . 1 1 4 4 GLU C C 4 174.592 174.592 175.061 -0.469 17606 4840 1 13 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.970 0.584 17606 4841 1 13 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.655 -0.009 17606 4842 1 13 . 1 1 4 4 GLU H H 4 8.424 8.424 8.700 -0.276 17606 4843 1 13 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.338 0.064 17606 4844 1 13 . 1 1 5 5 PRO C C 5 176.669 176.669 176.202 0.467 17606 4845 1 13 . 1 1 5 5 PRO CA C 5 63.491 63.491 62.851 0.640 17606 4846 1 13 . 1 1 5 5 PRO CB C 5 32.002 32.002 30.496 1.506 17606 4847 1 13 . 1 1 6 6 CYS N N 6 119.970 119.970 119.006 0.964 17606 4848 1 13 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.205 0.317 17606 4849 1 13 . 1 1 6 6 CYS C C 6 175.020 175.020 175.257 -0.237 17606 4850 1 13 . 1 1 6 6 CYS CA C 6 58.662 58.662 59.788 -1.126 17606 4851 1 13 . 1 1 6 6 CYS CB C 6 27.638 27.638 27.500 0.138 17606 4852 1 13 . 1 1 6 6 CYS H H 6 8.539 8.539 8.306 0.233 17606 4853 1 13 . 1 1 7 7 LEU N N 7 125.146 125.146 116.562 8.584 17606 4854 1 13 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.743 -0.310 17606 4855 1 13 . 1 1 7 7 LEU C C 7 178.244 178.244 176.678 1.566 17606 4856 1 13 . 1 1 7 7 LEU CA C 7 55.361 55.361 54.495 0.866 17606 4857 1 13 . 1 1 7 7 LEU CB C 7 42.687 42.687 42.159 0.528 17606 4858 1 13 . 1 1 7 7 LEU H H 7 8.649 8.649 8.484 0.165 17606 4859 1 13 . 1 1 8 8 THR N N 8 116.760 116.760 112.994 3.766 17606 4860 1 13 . 1 1 8 8 THR HA H 8 3.966 3.966 4.402 -0.436 17606 4861 1 13 . 1 1 8 8 THR C C 8 175.108 175.108 176.208 -1.100 17606 4862 1 13 . 1 1 8 8 THR CA C 8 64.244 64.244 62.778 1.466 17606 4863 1 13 . 1 1 8 8 THR CB C 8 69.071 69.071 68.695 0.375 17606 4864 1 13 . 1 1 8 8 THR H H 8 8.124 8.124 7.661 0.463 17606 4865 1 13 . 1 1 9 9 GLY N N 9 113.810 113.810 115.322 -1.512 17606 4866 1 13 . 1 1 9 9 GLY C C 9 174.510 174.510 174.451 0.059 17606 4867 1 13 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.878 0.134 17606 4868 1 13 . 1 1 9 9 GLY H H 9 9.095 9.095 9.202 -0.107 17606 4869 1 13 . 1 1 10 10 THR N N 10 116.938 116.938 118.929 -1.991 17606 4870 1 13 . 1 1 10 10 THR HA H 10 4.179 4.179 4.213 -0.034 17606 4871 1 13 . 1 1 10 10 THR C C 10 173.450 173.450 173.929 -0.479 17606 4872 1 13 . 1 1 10 10 THR CA C 10 64.192 64.192 63.309 0.883 17606 4873 1 13 . 1 1 10 10 THR CB C 10 70.093 70.093 69.522 0.571 17606 4874 1 13 . 1 1 10 10 THR H H 10 8.002 8.002 7.916 0.086 17606 4875 1 13 . 1 1 11 11 LYS N N 11 127.263 127.263 128.150 -0.887 17606 4876 1 13 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.673 0.153 17606 4877 1 13 . 1 1 11 11 LYS C C 11 176.157 176.157 175.801 0.356 17606 4878 1 13 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.888 0.853 17606 4879 1 13 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.187 -0.632 17606 4880 1 13 . 1 1 11 11 LYS H H 11 8.514 8.514 8.617 -0.103 17606 4881 1 13 . 1 1 12 12 VAL N N 12 116.892 116.892 118.705 -1.813 17606 4882 1 13 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.429 0.161 17606 4883 1 13 . 1 1 12 12 VAL C C 12 174.476 174.476 173.526 0.950 17606 4884 1 13 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.767 0.445 17606 4885 1 13 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.243 0.301 17606 4886 1 13 . 1 1 12 12 VAL H H 12 8.738 8.738 8.784 -0.046 17606 4887 1 13 . 1 1 13 13 LYS N N 13 118.427 118.427 119.750 -1.323 17606 4888 1 13 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.847 0.276 17606 4889 1 13 . 1 1 13 13 LYS C C 13 174.853 174.853 174.530 0.323 17606 4890 1 13 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.778 0.205 17606 4891 1 13 . 1 1 13 13 LYS CB C 13 35.787 35.787 36.346 -0.559 17606 4892 1 13 . 1 1 13 13 LYS H H 13 7.677 7.677 8.212 -0.535 17606 4893 1 13 . 1 1 14 14 VAL N N 14 120.913 120.913 123.849 -2.936 17606 4894 1 13 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.538 0.288 17606 4895 1 13 . 1 1 14 14 VAL C C 14 175.645 175.645 173.905 1.740 17606 4896 1 13 . 1 1 14 14 VAL CA C 14 60.391 60.391 61.240 -0.849 17606 4897 1 13 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.661 0.366 17606 4898 1 13 . 1 1 14 14 VAL H H 14 9.178 9.178 9.331 -0.153 17606 4899 1 13 . 1 1 15 15 LYS N N 15 125.862 125.862 127.127 -1.265 17606 4900 1 13 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.583 -0.001 17606 4901 1 13 . 1 1 15 15 LYS C C 15 175.430 175.430 174.359 1.071 17606 4902 1 13 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.283 1.408 17606 4903 1 13 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.020 -0.256 17606 4904 1 13 . 1 1 15 15 LYS H H 15 9.010 9.010 8.649 0.361 17606 4905 1 13 . 1 1 16 16 TYR N N 16 127.499 127.499 127.699 -0.200 17606 4906 1 13 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.710 -0.071 17606 4907 1 13 . 1 1 16 16 TYR C C 16 175.096 175.096 173.664 1.432 17606 4908 1 13 . 1 1 16 16 TYR CA C 16 58.348 58.348 56.694 1.655 17606 4909 1 13 . 1 1 16 16 TYR CB C 16 42.493 42.493 42.063 0.430 17606 4910 1 13 . 1 1 16 16 TYR H H 16 9.305 9.305 9.024 0.281 17606 4911 1 13 . 1 1 17 17 GLY N N 17 115.501 115.501 112.913 2.588 17606 4912 1 13 . 1 1 17 17 GLY C C 17 173.380 173.380 172.057 1.323 17606 4913 1 13 . 1 1 17 17 GLY CA C 17 44.216 44.216 44.952 -0.736 17606 4914 1 13 . 1 1 17 17 GLY H H 17 8.383 8.383 8.200 0.183 17606 4915 1 13 . 1 1 18 18 ARG N N 18 117.847 117.847 119.930 -2.083 17606 4916 1 13 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.744 -0.139 17606 4917 1 13 . 1 1 18 18 ARG C C 18 175.941 175.941 176.563 -0.622 17606 4918 1 13 . 1 1 18 18 ARG CA C 18 55.340 55.340 55.058 0.282 17606 4919 1 13 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.146 2.040 17606 4920 1 13 . 1 1 18 18 ARG H H 18 8.305 8.305 9.164 -0.859 17606 4921 1 13 . 1 1 19 19 GLY N N 19 110.572 110.572 115.758 -5.186 17606 4922 1 13 . 1 1 19 19 GLY C C 19 176.227 176.227 174.634 1.593 17606 4923 1 13 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.199 -0.309 17606 4924 1 13 . 1 1 19 19 GLY H H 19 8.857 8.857 8.736 0.121 17606 4925 1 13 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.253 -0.069 17606 4926 1 13 . 1 1 20 20 LYS C C 20 177.694 177.694 177.155 0.539 17606 4927 1 13 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.263 1.116 17606 4928 1 13 . 1 1 20 20 LYS CB C 20 32.493 32.493 33.018 -0.525 17606 4929 1 13 . 1 1 20 20 LYS H H 20 6.723 6.723 8.467 -1.744 17606 4930 1 13 . 1 1 21 21 THR N N 21 108.329 108.329 119.624 -11.295 17606 4931 1 13 . 1 1 21 21 THR HA H 21 4.437 4.437 4.278 0.159 17606 4932 1 13 . 1 1 21 21 THR C C 21 173.999 173.999 172.584 1.415 17606 4933 1 13 . 1 1 21 21 THR CA C 21 60.895 60.895 63.021 -2.126 17606 4934 1 13 . 1 1 21 21 THR CB C 21 68.907 68.907 68.444 0.464 17606 4935 1 13 . 1 1 21 21 THR H H 21 7.839 7.839 7.732 0.107 17606 4936 1 13 . 1 1 22 22 GLN N N 22 123.126 123.126 127.379 -4.253 17606 4937 1 13 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.918 -0.488 17606 4938 1 13 . 1 1 22 22 GLN C C 22 175.190 175.190 174.282 0.908 17606 4939 1 13 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.711 2.084 17606 4940 1 13 . 1 1 22 22 GLN CB C 22 31.031 31.031 32.385 -1.354 17606 4941 1 13 . 1 1 22 22 GLN H H 22 7.503 7.503 8.110 -0.607 17606 4942 1 13 . 1 1 23 23 LYS N N 23 126.763 126.763 126.876 -0.113 17606 4943 1 13 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.618 -0.081 17606 4944 1 13 . 1 1 23 23 LYS C C 23 174.087 174.087 174.738 -0.651 17606 4945 1 13 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.732 -0.288 17606 4946 1 13 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.021 1.474 17606 4947 1 13 . 1 1 23 23 LYS H H 23 8.937 8.937 8.989 -0.052 17606 4948 1 13 . 1 1 24 24 ILE N N 24 120.287 120.287 124.347 -4.060 17606 4949 1 13 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.984 -0.234 17606 4950 1 13 . 1 1 24 24 ILE C C 24 175.772 175.772 175.711 0.061 17606 4951 1 13 . 1 1 24 24 ILE CA C 24 59.920 59.920 60.251 -0.331 17606 4952 1 13 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.294 0.960 17606 4953 1 13 . 1 1 24 24 ILE H H 24 7.980 7.980 8.493 -0.513 17606 4954 1 13 . 1 1 25 25 TYR N N 25 126.020 126.020 125.475 0.545 17606 4955 1 13 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.071 0.000 17606 4956 1 13 . 1 1 25 25 TYR C C 25 175.859 175.859 173.752 2.107 17606 4957 1 13 . 1 1 25 25 TYR CA C 25 55.860 55.860 54.222 1.638 17606 4958 1 13 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.159 2.308 17606 4959 1 13 . 1 1 25 25 TYR H H 25 8.885 8.885 9.128 -0.243 17606 4960 1 13 . 1 1 26 26 GLU N N 26 121.186 121.186 119.406 1.780 17606 4961 1 13 . 1 1 26 26 GLU HA H 26 4.642 4.642 4.713 -0.071 17606 4962 1 13 . 1 1 26 26 GLU C C 26 176.001 176.001 175.084 0.917 17606 4963 1 13 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.069 2.059 17606 4964 1 13 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.571 -0.848 17606 4965 1 13 . 1 1 26 26 GLU H H 26 8.915 8.915 8.638 0.277 17606 4966 1 13 . 1 1 27 27 ALA N N 27 125.281 125.281 125.946 -0.665 17606 4967 1 13 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.229 0.741 17606 4968 1 13 . 1 1 27 27 ALA C C 27 175.178 175.178 174.815 0.363 17606 4969 1 13 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.284 1.031 17606 4970 1 13 . 1 1 27 27 ALA CB C 27 24.655 24.655 21.930 2.725 17606 4971 1 13 . 1 1 27 27 ALA H H 27 8.834 8.834 8.737 0.097 17606 4972 1 13 . 1 1 28 28 SER N N 28 112.133 112.133 112.919 -0.786 17606 4973 1 13 . 1 1 28 28 SER HA H 28 5.328 5.328 5.204 0.124 17606 4974 1 13 . 1 1 28 28 SER C C 28 174.404 174.404 173.724 0.680 17606 4975 1 13 . 1 1 28 28 SER CA C 28 56.133 56.133 55.925 0.208 17606 4976 1 13 . 1 1 28 28 SER CB C 28 66.075 66.075 65.320 0.755 17606 4977 1 13 . 1 1 28 28 SER H H 28 8.529 8.529 8.377 0.152 17606 4978 1 13 . 1 1 29 29 ILE N N 29 122.044 122.044 125.522 -3.478 17606 4979 1 13 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.090 0.053 17606 4980 1 13 . 1 1 29 29 ILE C C 29 176.473 176.473 176.288 0.185 17606 4981 1 13 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.978 0.583 17606 4982 1 13 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.752 1.272 17606 4983 1 13 . 1 1 29 29 ILE H H 29 8.431 8.431 9.069 -0.638 17606 4984 1 13 . 1 1 30 30 LYS N N 30 128.795 128.795 128.839 -0.044 17606 4985 1 13 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.556 -0.146 17606 4986 1 13 . 1 1 30 30 LYS C C 30 176.559 176.559 176.227 0.332 17606 4987 1 13 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.413 0.597 17606 4988 1 13 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.194 -0.313 17606 4989 1 13 . 1 1 30 30 LYS H H 30 9.687 9.687 9.173 0.514 17606 4990 1 13 . 1 1 31 31 SER N N 31 111.044 111.044 113.022 -1.978 17606 4991 1 13 . 1 1 31 31 SER HA H 31 4.671 4.671 4.874 -0.203 17606 4992 1 13 . 1 1 31 31 SER C C 31 172.457 172.457 172.206 0.251 17606 4993 1 13 . 1 1 31 31 SER CA C 31 57.353 57.353 57.785 -0.432 17606 4994 1 13 . 1 1 31 31 SER CB C 31 64.824 64.824 66.970 -2.146 17606 4995 1 13 . 1 1 31 31 SER H H 31 7.537 7.537 7.663 -0.126 17606 4996 1 13 . 1 1 32 32 THR N N 32 113.911 113.911 116.026 -2.115 17606 4997 1 13 . 1 1 32 32 THR HA H 32 5.564 5.564 5.130 0.434 17606 4998 1 13 . 1 1 32 32 THR C C 32 173.003 173.003 173.068 -0.065 17606 4999 1 13 . 1 1 32 32 THR CA C 32 60.589 60.589 60.861 -0.272 17606 5000 1 13 . 1 1 32 32 THR CB C 32 72.217 72.217 71.694 0.523 17606 5001 1 13 . 1 1 32 32 THR H H 32 8.237 8.237 8.331 -0.094 17606 5002 1 13 . 1 1 33 33 GLU N N 33 123.514 123.514 121.641 1.873 17606 5003 1 13 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.694 -0.066 17606 5004 1 13 . 1 1 33 33 GLU C C 33 173.487 173.487 174.380 -0.893 17606 5005 1 13 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.027 0.429 17606 5006 1 13 . 1 1 33 33 GLU CB C 33 34.099 34.099 32.837 1.262 17606 5007 1 13 . 1 1 33 33 GLU H H 33 8.970 8.970 9.095 -0.125 17606 5008 1 13 . 1 1 34 34 ILE N N 34 122.095 122.095 121.019 1.076 17606 5009 1 13 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.689 0.046 17606 5010 1 13 . 1 1 34 34 ILE C C 34 175.620 175.620 175.134 0.486 17606 5011 1 13 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.470 -0.423 17606 5012 1 13 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.487 -0.830 17606 5013 1 13 . 1 1 34 34 ILE H H 34 8.505 8.505 8.600 -0.095 17606 5014 1 13 . 1 1 35 35 ASP N N 35 127.840 127.840 128.291 -0.451 17606 5015 1 13 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.757 0.016 17606 5016 1 13 . 1 1 35 35 ASP C C 35 175.804 175.804 175.041 0.763 17606 5017 1 13 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.301 -0.066 17606 5018 1 13 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.053 0.366 17606 5019 1 13 . 1 1 35 35 ASP H H 35 8.948 8.948 8.959 -0.011 17606 5020 1 13 . 1 1 36 36 ASP N N 36 127.315 127.315 126.588 0.727 17606 5021 1 13 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.342 -0.079 17606 5022 1 13 . 1 1 36 36 ASP C C 36 175.993 175.993 176.871 -0.878 17606 5023 1 13 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.154 0.966 17606 5024 1 13 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.739 -1.079 17606 5025 1 13 . 1 1 36 36 ASP H H 36 9.065 9.065 8.935 0.130 17606 5026 1 13 . 1 1 37 37 GLY N N 37 103.112 103.112 107.767 -4.655 17606 5027 1 13 . 1 1 37 37 GLY C C 37 173.541 173.541 173.703 -0.162 17606 5028 1 13 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.385 0.086 17606 5029 1 13 . 1 1 37 37 GLY H H 37 8.045 8.045 8.552 -0.507 17606 5030 1 13 . 1 1 38 38 GLU N N 38 121.172 121.172 119.452 1.720 17606 5031 1 13 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.585 0.066 17606 5032 1 13 . 1 1 38 38 GLU C C 38 174.246 174.246 174.774 -0.528 17606 5033 1 13 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.700 0.019 17606 5034 1 13 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.950 0.255 17606 5035 1 13 . 1 1 38 38 GLU H H 38 7.769 7.769 7.448 0.321 17606 5036 1 13 . 1 1 39 39 VAL N N 39 123.983 123.983 123.417 0.566 17606 5037 1 13 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.546 -0.336 17606 5038 1 13 . 1 1 39 39 VAL C C 39 174.546 174.546 174.334 0.212 17606 5039 1 13 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.566 1.475 17606 5040 1 13 . 1 1 39 39 VAL CB C 39 32.269 32.269 33.040 -0.771 17606 5041 1 13 . 1 1 39 39 VAL H H 39 8.455 8.455 8.740 -0.285 17606 5042 1 13 . 1 1 40 40 LEU N N 40 127.105 127.105 129.333 -2.228 17606 5043 1 13 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.063 0.029 17606 5044 1 13 . 1 1 40 40 LEU C C 40 175.819 175.819 175.511 0.308 17606 5045 1 13 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.797 -0.544 17606 5046 1 13 . 1 1 40 40 LEU CB C 40 46.490 46.490 43.762 2.728 17606 5047 1 13 . 1 1 40 40 LEU H H 40 8.947 8.947 9.173 -0.226 17606 5048 1 13 . 1 1 41 41 TYR N N 41 119.021 119.021 120.919 -1.898 17606 5049 1 13 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.144 -0.037 17606 5050 1 13 . 1 1 41 41 TYR C C 41 173.968 173.968 174.564 -0.596 17606 5051 1 13 . 1 1 41 41 TYR CA C 41 56.856 56.856 56.984 -0.128 17606 5052 1 13 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.313 -0.171 17606 5053 1 13 . 1 1 41 41 TYR H H 41 9.337 9.337 9.601 -0.264 17606 5054 1 13 . 1 1 42 42 LEU N N 42 128.770 128.770 124.703 4.067 17606 5055 1 13 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.584 -0.611 17606 5056 1 13 . 1 1 42 42 LEU C C 42 175.491 175.491 174.737 0.754 17606 5057 1 13 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.838 0.529 17606 5058 1 13 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.731 -4.035 17606 5059 1 13 . 1 1 42 42 LEU H H 42 8.304 8.304 8.983 -0.679 17606 5060 1 13 . 1 1 43 43 VAL N N 43 121.269 121.269 121.788 -0.519 17606 5061 1 13 . 1 1 43 43 VAL HA H 43 4.980 4.980 5.066 -0.086 17606 5062 1 13 . 1 1 43 43 VAL C C 43 173.257 173.257 173.801 -0.544 17606 5063 1 13 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.283 -0.972 17606 5064 1 13 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.184 -1.130 17606 5065 1 13 . 1 1 43 43 VAL H H 43 8.847 8.847 8.980 -0.133 17606 5066 1 13 . 1 1 44 44 HIS N N 44 118.126 118.126 119.447 -1.321 17606 5067 1 13 . 1 1 44 44 HIS C C 44 174.272 174.272 174.001 0.271 17606 5068 1 13 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.466 0.853 17606 5069 1 13 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.755 -1.739 17606 5070 1 13 . 1 1 44 44 HIS H H 44 8.286 8.286 8.769 -0.483 17606 5071 1 13 . 1 1 45 45 TYR N N 45 127.711 127.711 123.864 3.847 17606 5072 1 13 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.144 -0.045 17606 5073 1 13 . 1 1 45 45 TYR C C 45 175.343 175.343 176.579 -1.236 17606 5074 1 13 . 1 1 45 45 TYR CA C 45 58.240 58.240 59.395 -1.155 17606 5075 1 13 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.383 0.117 17606 5076 1 13 . 1 1 45 45 TYR H H 45 8.013 8.013 8.356 -0.343 17606 5077 1 13 . 1 1 46 46 TYR N N 46 121.373 121.373 122.042 -0.669 17606 5078 1 13 . 1 1 46 46 TYR HA H 46 4.214 4.214 3.908 0.306 17606 5079 1 13 . 1 1 46 46 TYR CA C 46 58.945 58.945 61.190 -2.244 17606 5080 1 13 . 1 1 46 46 TYR CB C 46 38.400 38.400 37.371 1.029 17606 5081 1 13 . 1 1 46 46 TYR H H 46 7.842 7.842 8.810 -0.968 17606 5082 1 13 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.961 0.186 17606 5083 1 13 . 1 1 48 48 TRP N N 48 121.413 121.413 123.598 -2.185 17606 5084 1 13 . 1 1 48 48 TRP CA C 48 55.966 55.966 58.081 -2.115 17606 5085 1 13 . 1 1 48 48 TRP CB C 48 30.399 30.399 29.928 0.471 17606 5086 1 13 . 1 1 48 48 TRP H H 48 8.105 8.105 8.088 0.017 17606 5087 1 13 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.079 0.095 17606 5088 1 13 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.714 -0.831 17606 5089 1 13 . 1 1 50 50 VAL CB C 50 32.224 32.224 31.961 0.263 17606 5090 1 13 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.124 -0.006 17606 5091 1 13 . 1 1 51 51 ARG C C 51 176.010 176.010 175.995 0.015 17606 5092 1 13 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.626 0.378 17606 5093 1 13 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.787 -0.853 17606 5094 1 13 . 1 1 52 52 TYR N N 52 119.263 119.263 120.860 -1.597 17606 5095 1 13 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.397 0.239 17606 5096 1 13 . 1 1 52 52 TYR CA C 52 58.000 58.000 57.303 0.697 17606 5097 1 13 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.053 0.751 17606 5098 1 13 . 1 1 52 52 TYR H H 52 7.860 7.860 7.653 0.207 17606 5099 1 13 . 1 1 53 53 ASP N N 53 122.103 122.103 128.474 -6.371 17606 5100 1 13 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.998 -0.021 17606 5101 1 13 . 1 1 53 53 ASP CA C 53 55.272 55.272 53.251 2.021 17606 5102 1 13 . 1 1 53 53 ASP CB C 53 40.304 40.304 43.183 -2.879 17606 5103 1 13 . 1 1 53 53 ASP H H 53 8.014 8.014 8.161 -0.147 17606 5104 1 13 . 1 1 54 54 GLU N N 54 119.733 119.733 126.877 -7.144 17606 5105 1 13 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.802 -0.029 17606 5106 1 13 . 1 1 54 54 GLU C C 54 174.099 174.099 174.468 -0.369 17606 5107 1 13 . 1 1 54 54 GLU CA C 54 54.878 54.878 55.305 -0.427 17606 5108 1 13 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.956 0.175 17606 5109 1 13 . 1 1 54 54 GLU H H 54 8.018 8.018 8.319 -0.301 17606 5110 1 13 . 1 1 55 55 TRP N N 55 124.675 124.675 124.158 0.517 17606 5111 1 13 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.692 -0.448 17606 5112 1 13 . 1 1 55 55 TRP C C 55 177.088 177.088 176.621 0.467 17606 5113 1 13 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.435 -0.046 17606 5114 1 13 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.729 -1.316 17606 5115 1 13 . 1 1 55 55 TRP H H 55 8.760 8.760 8.765 -0.005 17606 5116 1 13 . 1 1 56 56 VAL N N 56 119.873 119.873 119.464 0.409 17606 5117 1 13 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.838 0.086 17606 5118 1 13 . 1 1 56 56 VAL C C 56 174.866 174.866 174.211 0.655 17606 5119 1 13 . 1 1 56 56 VAL CA C 56 58.968 58.968 59.429 -0.461 17606 5120 1 13 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.979 -0.118 17606 5121 1 13 . 1 1 56 56 VAL H H 56 10.006 10.006 9.308 0.698 17606 5122 1 13 . 1 1 57 57 LYS N N 57 120.466 120.466 125.430 -4.964 17606 5123 1 13 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.005 -0.140 17606 5124 1 13 . 1 1 57 57 LYS C C 57 178.120 178.120 178.109 0.011 17606 5125 1 13 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.797 0.644 17606 5126 1 13 . 1 1 57 57 LYS CB C 57 34.184 34.184 33.974 0.210 17606 5127 1 13 . 1 1 57 57 LYS H H 57 8.361 8.361 8.633 -0.272 17606 5128 1 13 . 1 1 58 58 ALA N N 58 120.318 120.318 126.023 -5.705 17606 5129 1 13 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.151 0.003 17606 5130 1 13 . 1 1 58 58 ALA C C 58 179.508 179.508 179.390 0.118 17606 5131 1 13 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.434 0.255 17606 5132 1 13 . 1 1 58 58 ALA CB C 58 19.474 19.474 19.049 0.425 17606 5133 1 13 . 1 1 58 58 ALA H H 58 9.064 9.064 8.658 0.406 17606 5134 1 13 . 1 1 59 59 ASP N N 59 113.824 113.824 115.608 -1.784 17606 5135 1 13 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.529 0.008 17606 5136 1 13 . 1 1 59 59 ASP C C 59 177.499 177.499 176.352 1.147 17606 5137 1 13 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.131 -0.478 17606 5138 1 13 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.399 -0.665 17606 5139 1 13 . 1 1 59 59 ASP H H 59 8.256 8.256 8.754 -0.498 17606 5140 1 13 . 1 1 60 60 ARG N N 60 118.041 118.041 116.762 1.279 17606 5141 1 13 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.522 -0.231 17606 5142 1 13 . 1 1 60 60 ARG C C 60 174.918 174.918 174.483 0.435 17606 5143 1 13 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.576 1.568 17606 5144 1 13 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.313 -0.304 17606 5145 1 13 . 1 1 60 60 ARG H H 60 7.931 7.931 7.896 0.035 17606 5146 1 13 . 1 1 61 61 ILE N N 61 118.787 118.787 118.836 -0.049 17606 5147 1 13 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.420 -0.303 17606 5148 1 13 . 1 1 61 61 ILE C C 61 175.243 175.243 175.313 -0.070 17606 5149 1 13 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.889 0.524 17606 5150 1 13 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.718 -2.289 17606 5151 1 13 . 1 1 61 61 ILE H H 61 7.463 7.463 7.387 0.076 17606 5152 1 13 . 1 1 62 62 ILE N N 62 127.975 127.975 124.255 3.720 17606 5153 1 13 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.330 -0.174 17606 5154 1 13 . 1 1 62 62 ILE C C 62 175.867 175.867 174.519 1.348 17606 5155 1 13 . 1 1 62 62 ILE CA C 62 60.436 60.436 60.072 0.364 17606 5156 1 13 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.749 -0.430 17606 5157 1 13 . 1 1 62 62 ILE H H 62 8.773 8.773 8.931 -0.158 17606 5158 1 13 . 1 1 63 63 TRP N N 63 131.233 131.233 129.535 1.698 17606 5159 1 13 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.930 -0.368 17606 5160 1 13 . 1 1 63 63 TRP C C 63 174.859 174.859 174.579 0.280 17606 5161 1 13 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.250 0.292 17606 5162 1 13 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.958 -1.299 17606 5163 1 13 . 1 1 63 63 TRP H H 63 8.506 8.506 8.451 0.055 17606 5164 1 13 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.452 0.097 17606 5165 1 13 . 1 1 64 64 PRO C C 64 176.966 176.966 175.956 1.010 17606 5166 1 13 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.306 -0.175 17606 5167 1 13 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.737 0.288 17606 5168 1 13 . 1 1 65 65 LEU N N 65 121.886 121.886 125.889 -4.003 17606 5169 1 13 . 1 1 65 65 LEU HA H 65 4.333 4.333 3.987 0.346 17606 5170 1 13 . 1 1 65 65 LEU C C 65 177.243 177.243 175.797 1.446 17606 5171 1 13 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.028 0.464 17606 5172 1 13 . 1 1 65 65 LEU CB C 65 42.370 42.370 41.800 0.570 17606 5173 1 13 . 1 1 65 65 LEU H H 65 8.426 8.426 8.646 -0.220 17606 5174 1 13 . 1 1 66 66 ASP N N 66 120.509 120.509 121.905 -1.396 17606 5175 1 13 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.457 0.121 17606 5176 1 13 . 1 1 66 66 ASP C C 66 176.402 176.402 175.162 1.240 17606 5177 1 13 . 1 1 66 66 ASP CA C 66 54.249 54.249 54.927 -0.678 17606 5178 1 13 . 1 1 66 66 ASP CB C 66 41.156 41.156 41.239 -0.083 17606 5179 1 13 . 1 1 66 66 ASP H H 66 8.348 8.348 8.377 -0.029 17606 5180 1 13 . 1 1 67 67 LYS N N 67 121.925 121.925 119.306 2.619 17606 5181 1 13 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.650 -0.372 17606 5182 1 13 . 1 1 67 67 LYS C C 67 177.158 177.158 176.234 0.924 17606 5183 1 13 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.118 0.481 17606 5184 1 13 . 1 1 67 67 LYS CB C 67 32.753 32.753 33.527 -0.774 17606 5185 1 13 . 1 1 67 67 LYS H H 67 8.327 8.327 8.440 -0.113 17606 5186 1 13 . 1 1 68 68 GLY N N 68 109.417 109.417 106.824 2.593 17606 5187 1 13 . 1 1 68 68 GLY C C 68 174.413 174.413 174.762 -0.349 17606 5188 1 13 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.055 0.568 17606 5189 1 13 . 1 1 68 68 GLY H H 68 8.558 8.558 8.473 0.085 17606 5190 1 13 . 1 1 69 69 LEU N N 69 120.937 120.937 119.279 1.658 17606 5191 1 13 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.401 -0.146 17606 5192 1 13 . 1 1 69 69 LEU C C 69 177.559 177.559 176.811 0.748 17606 5193 1 13 . 1 1 69 69 LEU CA C 69 55.326 55.326 55.087 0.239 17606 5194 1 13 . 1 1 69 69 LEU CB C 69 42.169 42.169 42.316 -0.147 17606 5195 1 13 . 1 1 69 69 LEU H H 69 7.972 7.972 9.101 -1.129 17606 5196 1 13 . 1 1 70 70 GLU N N 70 120.764 120.764 120.217 0.547 17606 5197 1 13 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.202 -0.076 17606 5198 1 13 . 1 1 70 70 GLU C C 70 176.435 176.435 175.770 0.665 17606 5199 1 13 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.494 0.656 17606 5200 1 13 . 1 1 70 70 GLU CB C 70 29.859 29.859 28.844 1.015 17606 5201 1 13 . 1 1 70 70 GLU H H 70 8.443 8.443 7.663 0.780 17606 5202 1 13 . 1 1 71 71 HIS N N 71 119.554 119.554 122.410 -2.856 17606 5203 1 13 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.623 -0.025 17606 5204 1 13 . 1 1 71 71 HIS C C 71 174.001 174.001 175.170 -1.169 17606 5205 1 13 . 1 1 71 71 HIS CA C 71 56.078 56.078 54.297 1.781 17606 5206 1 13 . 1 1 71 71 HIS CB C 71 30.551 30.551 30.915 -0.364 17606 5207 1 13 . 1 1 71 71 HIS H H 71 8.223 8.223 8.094 0.129 17606 5208 1 13 . 1 1 72 72 HIS N N 72 125.509 125.509 122.469 3.040 17606 5209 1 13 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.528 -0.114 17606 5210 1 13 . 1 1 72 72 HIS C C 72 179.225 179.225 175.678 3.547 17606 5211 1 13 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.451 -0.088 17606 5212 1 13 . 1 1 72 72 HIS CB C 72 30.450 30.450 29.135 1.315 17606 5213 1 13 . 1 1 72 72 HIS H H 72 8.101 8.101 8.875 -0.774 17606 5214 1 13 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.549 -0.005 17606 5215 1 13 . 1 1 73 73 HIS CA C 73 56.078 56.078 55.679 0.399 17606 5216 1 13 . 1 1 73 73 HIS CB C 73 30.551 30.551 28.524 2.027 17606 5217 1 13 . 1 1 74 74 HIS N N 74 120.202 120.202 117.228 2.974 17606 5218 1 13 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.345 -0.143 17606 5219 1 13 . 1 1 74 74 HIS CA C 74 56.035 56.035 58.515 -2.480 17606 5220 1 13 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.193 0.039 17606 5221 1 13 . 1 1 74 74 HIS H H 74 8.189 8.189 7.198 0.991 17606 5222 1 13 . 1 1 75 75 HIS N N 75 120.367 120.367 117.910 2.457 17606 5223 1 13 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.578 -0.155 17606 5224 1 13 . 1 1 75 75 HIS CA C 75 55.515 55.515 55.160 0.355 17606 5225 1 13 . 1 1 75 75 HIS CB C 75 33.268 33.268 27.672 5.596 17606 5226 1 13 . 1 1 75 75 HIS H H 75 8.258 8.258 8.150 0.108 17606 5227 1 14 . 1 1 2 2 ASP N N 2 121.539 121.539 123.440 -1.901 17606 5228 1 14 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.646 -0.091 17606 5229 1 14 . 1 1 2 2 ASP C C 2 176.030 176.030 175.917 0.113 17606 5230 1 14 . 1 1 2 2 ASP CA C 2 54.553 54.553 55.041 -0.488 17606 5231 1 14 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.388 -0.084 17606 5232 1 14 . 1 1 2 2 ASP H H 2 8.515 8.515 8.529 -0.014 17606 5233 1 14 . 1 1 3 3 MET N N 3 120.469 120.469 120.905 -0.436 17606 5234 1 14 . 1 1 3 3 MET HA H 3 4.472 4.472 4.601 -0.129 17606 5235 1 14 . 1 1 3 3 MET C C 3 176.040 176.040 174.660 1.380 17606 5236 1 14 . 1 1 3 3 MET CA C 3 55.373 55.373 55.029 0.344 17606 5237 1 14 . 1 1 3 3 MET CB C 3 33.196 33.196 33.324 -0.128 17606 5238 1 14 . 1 1 3 3 MET H H 3 8.340 8.340 7.986 0.354 17606 5239 1 14 . 1 1 4 4 GLU N N 4 123.512 123.512 127.430 -3.918 17606 5240 1 14 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.644 -0.106 17606 5241 1 14 . 1 1 4 4 GLU C C 4 174.592 174.592 174.883 -0.291 17606 5242 1 14 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.795 0.759 17606 5243 1 14 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.573 0.073 17606 5244 1 14 . 1 1 4 4 GLU H H 4 8.424 8.424 8.653 -0.229 17606 5245 1 14 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.434 -0.032 17606 5246 1 14 . 1 1 5 5 PRO C C 5 176.669 176.669 175.950 0.719 17606 5247 1 14 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.194 0.297 17606 5248 1 14 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.102 0.900 17606 5249 1 14 . 1 1 6 6 CYS N N 6 119.970 119.970 123.290 -3.320 17606 5250 1 14 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.327 0.195 17606 5251 1 14 . 1 1 6 6 CYS C C 6 175.020 175.020 175.971 -0.951 17606 5252 1 14 . 1 1 6 6 CYS CA C 6 58.662 58.662 59.164 -0.502 17606 5253 1 14 . 1 1 6 6 CYS CB C 6 27.638 27.638 28.017 -0.379 17606 5254 1 14 . 1 1 6 6 CYS H H 6 8.539 8.539 8.196 0.343 17606 5255 1 14 . 1 1 7 7 LEU N N 7 125.146 125.146 121.612 3.534 17606 5256 1 14 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.539 -0.106 17606 5257 1 14 . 1 1 7 7 LEU C C 7 178.244 178.244 177.025 1.219 17606 5258 1 14 . 1 1 7 7 LEU CA C 7 55.361 55.361 55.670 -0.309 17606 5259 1 14 . 1 1 7 7 LEU CB C 7 42.687 42.687 41.681 1.006 17606 5260 1 14 . 1 1 7 7 LEU H H 7 8.649 8.649 8.357 0.292 17606 5261 1 14 . 1 1 8 8 THR N N 8 116.760 116.760 115.407 1.353 17606 5262 1 14 . 1 1 8 8 THR HA H 8 3.966 3.966 4.319 -0.353 17606 5263 1 14 . 1 1 8 8 THR C C 8 175.108 175.108 175.787 -0.679 17606 5264 1 14 . 1 1 8 8 THR CA C 8 64.244 64.244 64.299 -0.055 17606 5265 1 14 . 1 1 8 8 THR CB C 8 69.071 69.071 68.117 0.954 17606 5266 1 14 . 1 1 8 8 THR H H 8 8.124 8.124 7.458 0.666 17606 5267 1 14 . 1 1 9 9 GLY N N 9 113.810 113.810 116.189 -2.379 17606 5268 1 14 . 1 1 9 9 GLY C C 9 174.510 174.510 174.559 -0.049 17606 5269 1 14 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.165 -0.153 17606 5270 1 14 . 1 1 9 9 GLY H H 9 9.095 9.095 8.928 0.167 17606 5271 1 14 . 1 1 10 10 THR N N 10 116.938 116.938 120.608 -3.670 17606 5272 1 14 . 1 1 10 10 THR HA H 10 4.179 4.179 4.128 0.051 17606 5273 1 14 . 1 1 10 10 THR C C 10 173.450 173.450 173.604 -0.154 17606 5274 1 14 . 1 1 10 10 THR CA C 10 64.192 64.192 63.737 0.455 17606 5275 1 14 . 1 1 10 10 THR CB C 10 70.093 70.093 69.142 0.951 17606 5276 1 14 . 1 1 10 10 THR H H 10 8.002 8.002 8.037 -0.035 17606 5277 1 14 . 1 1 11 11 LYS N N 11 127.263 127.263 127.601 -0.338 17606 5278 1 14 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.809 0.017 17606 5279 1 14 . 1 1 11 11 LYS C C 11 176.157 176.157 175.109 1.048 17606 5280 1 14 . 1 1 11 11 LYS CA C 11 56.741 56.741 54.664 2.077 17606 5281 1 14 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.687 -0.132 17606 5282 1 14 . 1 1 11 11 LYS H H 11 8.514 8.514 8.248 0.266 17606 5283 1 14 . 1 1 12 12 VAL N N 12 116.892 116.892 116.927 -0.035 17606 5284 1 14 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.383 0.207 17606 5285 1 14 . 1 1 12 12 VAL C C 12 174.476 174.476 173.931 0.545 17606 5286 1 14 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.094 0.117 17606 5287 1 14 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.313 0.231 17606 5288 1 14 . 1 1 12 12 VAL H H 12 8.738 8.738 8.967 -0.229 17606 5289 1 14 . 1 1 13 13 LYS N N 13 118.427 118.427 119.952 -1.525 17606 5290 1 14 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.855 0.268 17606 5291 1 14 . 1 1 13 13 LYS C C 13 174.853 174.853 174.946 -0.093 17606 5292 1 14 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.368 0.615 17606 5293 1 14 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.473 0.314 17606 5294 1 14 . 1 1 13 13 LYS H H 13 7.677 7.677 8.067 -0.390 17606 5295 1 14 . 1 1 14 14 VAL N N 14 120.913 120.913 124.199 -3.286 17606 5296 1 14 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.688 0.138 17606 5297 1 14 . 1 1 14 14 VAL C C 14 175.645 175.645 174.222 1.423 17606 5298 1 14 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.942 -0.551 17606 5299 1 14 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.946 0.081 17606 5300 1 14 . 1 1 14 14 VAL H H 14 9.178 9.178 9.399 -0.221 17606 5301 1 14 . 1 1 15 15 LYS N N 15 125.862 125.862 125.242 0.620 17606 5302 1 14 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.967 -0.385 17606 5303 1 14 . 1 1 15 15 LYS C C 15 175.430 175.430 174.942 0.488 17606 5304 1 14 . 1 1 15 15 LYS CA C 15 56.691 56.691 54.906 1.785 17606 5305 1 14 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.998 -1.234 17606 5306 1 14 . 1 1 15 15 LYS H H 15 9.010 9.010 8.783 0.227 17606 5307 1 14 . 1 1 16 16 TYR N N 16 127.499 127.499 122.275 5.224 17606 5308 1 14 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.597 0.041 17606 5309 1 14 . 1 1 16 16 TYR C C 16 175.096 175.096 173.301 1.795 17606 5310 1 14 . 1 1 16 16 TYR CA C 16 58.348 58.348 58.438 -0.090 17606 5311 1 14 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.906 0.587 17606 5312 1 14 . 1 1 16 16 TYR H H 16 9.305 9.305 8.839 0.466 17606 5313 1 14 . 1 1 17 17 GLY N N 17 115.501 115.501 113.268 2.233 17606 5314 1 14 . 1 1 17 17 GLY C C 17 173.380 173.380 171.822 1.558 17606 5315 1 14 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.741 -1.525 17606 5316 1 14 . 1 1 17 17 GLY H H 17 8.383 8.383 7.784 0.599 17606 5317 1 14 . 1 1 18 18 ARG N N 18 117.847 117.847 119.484 -1.637 17606 5318 1 14 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.765 -0.160 17606 5319 1 14 . 1 1 18 18 ARG C C 18 175.941 175.941 177.089 -1.148 17606 5320 1 14 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.344 0.996 17606 5321 1 14 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.580 2.606 17606 5322 1 14 . 1 1 18 18 ARG H H 18 8.305 8.305 8.820 -0.515 17606 5323 1 14 . 1 1 19 19 GLY N N 19 110.572 110.572 116.426 -5.854 17606 5324 1 14 . 1 1 19 19 GLY C C 19 176.227 176.227 175.313 0.914 17606 5325 1 14 . 1 1 19 19 GLY CA C 19 45.890 45.890 47.041 -1.151 17606 5326 1 14 . 1 1 19 19 GLY H H 19 8.857 8.857 8.953 -0.096 17606 5327 1 14 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.268 -0.084 17606 5328 1 14 . 1 1 20 20 LYS C C 20 177.694 177.694 178.187 -0.493 17606 5329 1 14 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.513 0.866 17606 5330 1 14 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.610 -0.117 17606 5331 1 14 . 1 1 20 20 LYS H H 20 6.723 6.723 8.201 -1.478 17606 5332 1 14 . 1 1 21 21 THR N N 21 108.329 108.329 113.115 -4.786 17606 5333 1 14 . 1 1 21 21 THR HA H 21 4.437 4.437 4.308 0.129 17606 5334 1 14 . 1 1 21 21 THR C C 21 173.999 173.999 173.548 0.451 17606 5335 1 14 . 1 1 21 21 THR CA C 21 60.895 60.895 60.809 0.086 17606 5336 1 14 . 1 1 21 21 THR CB C 21 68.907 68.907 68.568 0.339 17606 5337 1 14 . 1 1 21 21 THR H H 21 7.839 7.839 7.722 0.117 17606 5338 1 14 . 1 1 22 22 GLN N N 22 123.126 123.126 122.160 0.966 17606 5339 1 14 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.311 0.119 17606 5340 1 14 . 1 1 22 22 GLN C C 22 175.190 175.190 175.440 -0.250 17606 5341 1 14 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.907 0.888 17606 5342 1 14 . 1 1 22 22 GLN CB C 22 31.031 31.031 28.800 2.231 17606 5343 1 14 . 1 1 22 22 GLN H H 22 7.503 7.503 7.293 0.210 17606 5344 1 14 . 1 1 23 23 LYS N N 23 126.763 126.763 125.380 1.383 17606 5345 1 14 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.497 0.040 17606 5346 1 14 . 1 1 23 23 LYS C C 23 174.087 174.087 174.107 -0.020 17606 5347 1 14 . 1 1 23 23 LYS CA C 23 54.444 54.444 53.457 0.987 17606 5348 1 14 . 1 1 23 23 LYS CB C 23 36.495 36.495 34.841 1.654 17606 5349 1 14 . 1 1 23 23 LYS H H 23 8.937 8.937 8.658 0.279 17606 5350 1 14 . 1 1 24 24 ILE N N 24 120.287 120.287 121.218 -0.931 17606 5351 1 14 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.613 0.137 17606 5352 1 14 . 1 1 24 24 ILE C C 24 175.772 175.772 175.305 0.467 17606 5353 1 14 . 1 1 24 24 ILE CA C 24 59.920 59.920 60.016 -0.096 17606 5354 1 14 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.862 0.392 17606 5355 1 14 . 1 1 24 24 ILE H H 24 7.980 7.980 8.257 -0.277 17606 5356 1 14 . 1 1 25 25 TYR N N 25 126.020 126.020 124.352 1.668 17606 5357 1 14 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.009 0.062 17606 5358 1 14 . 1 1 25 25 TYR C C 25 175.859 175.859 174.194 1.665 17606 5359 1 14 . 1 1 25 25 TYR CA C 25 55.860 55.860 53.826 2.034 17606 5360 1 14 . 1 1 25 25 TYR CB C 25 42.467 42.467 39.928 2.539 17606 5361 1 14 . 1 1 25 25 TYR H H 25 8.885 8.885 9.081 -0.196 17606 5362 1 14 . 1 1 26 26 GLU N N 26 121.186 121.186 119.855 1.331 17606 5363 1 14 . 1 1 26 26 GLU HA H 26 4.642 4.642 4.984 -0.342 17606 5364 1 14 . 1 1 26 26 GLU C C 26 176.001 176.001 175.441 0.560 17606 5365 1 14 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.513 1.615 17606 5366 1 14 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.839 -2.116 17606 5367 1 14 . 1 1 26 26 GLU H H 26 8.915 8.915 8.891 0.024 17606 5368 1 14 . 1 1 27 27 ALA N N 27 125.281 125.281 126.099 -0.818 17606 5369 1 14 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.966 0.004 17606 5370 1 14 . 1 1 27 27 ALA C C 27 175.178 175.178 174.903 0.275 17606 5371 1 14 . 1 1 27 27 ALA CA C 27 51.315 51.315 51.089 0.226 17606 5372 1 14 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.841 1.814 17606 5373 1 14 . 1 1 27 27 ALA H H 27 8.834 8.834 9.081 -0.247 17606 5374 1 14 . 1 1 28 28 SER N N 28 112.133 112.133 112.784 -0.651 17606 5375 1 14 . 1 1 28 28 SER HA H 28 5.328 5.328 5.489 -0.161 17606 5376 1 14 . 1 1 28 28 SER C C 28 174.404 174.404 174.199 0.205 17606 5377 1 14 . 1 1 28 28 SER CA C 28 56.133 56.133 55.779 0.354 17606 5378 1 14 . 1 1 28 28 SER CB C 28 66.075 66.075 65.819 0.256 17606 5379 1 14 . 1 1 28 28 SER H H 28 8.529 8.529 8.759 -0.230 17606 5380 1 14 . 1 1 29 29 ILE N N 29 122.044 122.044 122.924 -0.880 17606 5381 1 14 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.068 0.074 17606 5382 1 14 . 1 1 29 29 ILE C C 29 176.473 176.473 176.470 0.003 17606 5383 1 14 . 1 1 29 29 ILE CA C 29 61.561 61.561 61.320 0.241 17606 5384 1 14 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.410 1.613 17606 5385 1 14 . 1 1 29 29 ILE H H 29 8.431 8.431 9.054 -0.623 17606 5386 1 14 . 1 1 30 30 LYS N N 30 128.795 128.795 127.564 1.231 17606 5387 1 14 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.487 -0.077 17606 5388 1 14 . 1 1 30 30 LYS C C 30 176.559 176.559 176.605 -0.046 17606 5389 1 14 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.334 0.675 17606 5390 1 14 . 1 1 30 30 LYS CB C 30 33.881 33.881 35.507 -1.626 17606 5391 1 14 . 1 1 30 30 LYS H H 30 9.687 9.687 9.027 0.660 17606 5392 1 14 . 1 1 31 31 SER N N 31 111.044 111.044 110.398 0.646 17606 5393 1 14 . 1 1 31 31 SER HA H 31 4.671 4.671 4.690 -0.019 17606 5394 1 14 . 1 1 31 31 SER C C 31 172.457 172.457 172.227 0.230 17606 5395 1 14 . 1 1 31 31 SER CA C 31 57.353 57.353 57.661 -0.308 17606 5396 1 14 . 1 1 31 31 SER CB C 31 64.824 64.824 64.290 0.534 17606 5397 1 14 . 1 1 31 31 SER H H 31 7.537 7.537 7.908 -0.371 17606 5398 1 14 . 1 1 32 32 THR N N 32 113.911 113.911 114.804 -0.893 17606 5399 1 14 . 1 1 32 32 THR HA H 32 5.564 5.564 5.028 0.536 17606 5400 1 14 . 1 1 32 32 THR C C 32 173.003 173.003 172.741 0.262 17606 5401 1 14 . 1 1 32 32 THR CA C 32 60.589 60.589 60.721 -0.132 17606 5402 1 14 . 1 1 32 32 THR CB C 32 72.217 72.217 69.939 2.279 17606 5403 1 14 . 1 1 32 32 THR H H 32 8.237 8.237 8.381 -0.144 17606 5404 1 14 . 1 1 33 33 GLU N N 33 123.514 123.514 121.411 2.103 17606 5405 1 14 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.660 -0.032 17606 5406 1 14 . 1 1 33 33 GLU C C 33 173.487 173.487 174.059 -0.572 17606 5407 1 14 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.054 0.402 17606 5408 1 14 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.507 -0.408 17606 5409 1 14 . 1 1 33 33 GLU H H 33 8.970 8.970 8.893 0.077 17606 5410 1 14 . 1 1 34 34 ILE N N 34 122.095 122.095 120.986 1.109 17606 5411 1 14 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.825 -0.090 17606 5412 1 14 . 1 1 34 34 ILE C C 34 175.620 175.620 175.080 0.540 17606 5413 1 14 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.013 0.034 17606 5414 1 14 . 1 1 34 34 ILE CB C 34 38.657 38.657 38.760 -0.103 17606 5415 1 14 . 1 1 34 34 ILE H H 34 8.505 8.505 8.514 -0.009 17606 5416 1 14 . 1 1 35 35 ASP N N 35 127.840 127.840 128.482 -0.642 17606 5417 1 14 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.809 -0.036 17606 5418 1 14 . 1 1 35 35 ASP C C 35 175.804 175.804 175.641 0.163 17606 5419 1 14 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.441 -0.206 17606 5420 1 14 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.580 -0.161 17606 5421 1 14 . 1 1 35 35 ASP H H 35 8.948 8.948 9.114 -0.166 17606 5422 1 14 . 1 1 36 36 ASP N N 36 127.315 127.315 125.989 1.326 17606 5423 1 14 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.329 -0.066 17606 5424 1 14 . 1 1 36 36 ASP C C 36 175.993 175.993 176.229 -0.236 17606 5425 1 14 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.515 0.605 17606 5426 1 14 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.558 -0.899 17606 5427 1 14 . 1 1 36 36 ASP H H 36 9.065 9.065 8.781 0.284 17606 5428 1 14 . 1 1 37 37 GLY N N 37 103.112 103.112 103.772 -0.660 17606 5429 1 14 . 1 1 37 37 GLY C C 37 173.541 173.541 173.821 -0.280 17606 5430 1 14 . 1 1 37 37 GLY CA C 37 45.471 45.471 44.957 0.514 17606 5431 1 14 . 1 1 37 37 GLY H H 37 8.045 8.045 8.367 -0.322 17606 5432 1 14 . 1 1 38 38 GLU N N 38 121.172 121.172 119.294 1.878 17606 5433 1 14 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.612 0.039 17606 5434 1 14 . 1 1 38 38 GLU C C 38 174.246 174.246 174.854 -0.608 17606 5435 1 14 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.726 -0.007 17606 5436 1 14 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.971 0.235 17606 5437 1 14 . 1 1 38 38 GLU H H 38 7.769 7.769 7.620 0.149 17606 5438 1 14 . 1 1 39 39 VAL N N 39 123.983 123.983 122.065 1.918 17606 5439 1 14 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.796 -0.586 17606 5440 1 14 . 1 1 39 39 VAL C C 39 174.546 174.546 174.920 -0.374 17606 5441 1 14 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.982 1.059 17606 5442 1 14 . 1 1 39 39 VAL CB C 39 32.269 32.269 31.080 1.189 17606 5443 1 14 . 1 1 39 39 VAL H H 39 8.455 8.455 8.682 -0.227 17606 5444 1 14 . 1 1 40 40 LEU N N 40 127.105 127.105 127.778 -0.673 17606 5445 1 14 . 1 1 40 40 LEU HA H 40 5.092 5.092 4.866 0.226 17606 5446 1 14 . 1 1 40 40 LEU C C 40 175.819 175.819 175.930 -0.111 17606 5447 1 14 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.975 -0.722 17606 5448 1 14 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.949 1.541 17606 5449 1 14 . 1 1 40 40 LEU H H 40 8.947 8.947 8.836 0.111 17606 5450 1 14 . 1 1 41 41 TYR N N 41 119.021 119.021 119.230 -0.209 17606 5451 1 14 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.964 0.143 17606 5452 1 14 . 1 1 41 41 TYR C C 41 173.968 173.968 174.293 -0.325 17606 5453 1 14 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.174 -0.318 17606 5454 1 14 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.792 -0.650 17606 5455 1 14 . 1 1 41 41 TYR H H 41 9.337 9.337 9.525 -0.188 17606 5456 1 14 . 1 1 42 42 LEU N N 42 128.770 128.770 123.965 4.805 17606 5457 1 14 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.393 -0.420 17606 5458 1 14 . 1 1 42 42 LEU C C 42 175.491 175.491 174.761 0.730 17606 5459 1 14 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.648 0.720 17606 5460 1 14 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.107 -3.411 17606 5461 1 14 . 1 1 42 42 LEU H H 42 8.304 8.304 8.922 -0.618 17606 5462 1 14 . 1 1 43 43 VAL N N 43 121.269 121.269 121.526 -0.257 17606 5463 1 14 . 1 1 43 43 VAL HA H 43 4.980 4.980 5.063 -0.083 17606 5464 1 14 . 1 1 43 43 VAL C C 43 173.257 173.257 173.824 -0.567 17606 5465 1 14 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.930 -0.619 17606 5466 1 14 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.579 -0.525 17606 5467 1 14 . 1 1 43 43 VAL H H 43 8.847 8.847 8.900 -0.053 17606 5468 1 14 . 1 1 44 44 HIS N N 44 118.126 118.126 119.537 -1.411 17606 5469 1 14 . 1 1 44 44 HIS C C 44 174.272 174.272 174.525 -0.253 17606 5470 1 14 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.813 0.506 17606 5471 1 14 . 1 1 44 44 HIS CB C 44 31.016 31.016 31.628 -0.612 17606 5472 1 14 . 1 1 44 44 HIS H H 44 8.286 8.286 8.974 -0.688 17606 5473 1 14 . 1 1 45 45 TYR N N 45 127.711 127.711 123.974 3.737 17606 5474 1 14 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.388 -0.289 17606 5475 1 14 . 1 1 45 45 TYR C C 45 175.343 175.343 175.912 -0.569 17606 5476 1 14 . 1 1 45 45 TYR CA C 45 58.240 58.240 59.348 -1.108 17606 5477 1 14 . 1 1 45 45 TYR CB C 45 37.500 37.500 38.483 -0.983 17606 5478 1 14 . 1 1 45 45 TYR H H 45 8.013 8.013 8.805 -0.792 17606 5479 1 14 . 1 1 46 46 TYR N N 46 121.373 121.373 126.010 -4.637 17606 5480 1 14 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.402 -0.188 17606 5481 1 14 . 1 1 46 46 TYR CA C 46 58.945 58.945 59.072 -0.127 17606 5482 1 14 . 1 1 46 46 TYR CB C 46 38.400 38.400 38.239 0.161 17606 5483 1 14 . 1 1 46 46 TYR H H 46 7.842 7.842 8.504 -0.662 17606 5484 1 14 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.833 0.314 17606 5485 1 14 . 1 1 48 48 TRP N N 48 121.413 121.413 119.898 1.515 17606 5486 1 14 . 1 1 48 48 TRP CA C 48 55.966 55.966 55.802 0.164 17606 5487 1 14 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.211 0.188 17606 5488 1 14 . 1 1 48 48 TRP H H 48 8.105 8.105 7.610 0.495 17606 5489 1 14 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.954 0.220 17606 5490 1 14 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.829 -0.946 17606 5491 1 14 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.197 0.027 17606 5492 1 14 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.142 -0.024 17606 5493 1 14 . 1 1 51 51 ARG C C 51 176.010 176.010 177.001 -0.991 17606 5494 1 14 . 1 1 51 51 ARG CA C 51 57.004 57.004 58.265 -1.261 17606 5495 1 14 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.396 -0.462 17606 5496 1 14 . 1 1 52 52 TYR N N 52 119.263 119.263 120.903 -1.640 17606 5497 1 14 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.588 0.048 17606 5498 1 14 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.428 1.572 17606 5499 1 14 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.774 0.030 17606 5500 1 14 . 1 1 52 52 TYR H H 52 7.860 7.860 8.508 -0.648 17606 5501 1 14 . 1 1 53 53 ASP N N 53 122.103 122.103 126.316 -4.213 17606 5502 1 14 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.366 0.611 17606 5503 1 14 . 1 1 53 53 ASP CA C 53 55.272 55.272 52.362 2.910 17606 5504 1 14 . 1 1 53 53 ASP CB C 53 40.304 40.304 42.380 -2.076 17606 5505 1 14 . 1 1 53 53 ASP H H 53 8.014 8.014 7.767 0.247 17606 5506 1 14 . 1 1 54 54 GLU N N 54 119.733 119.733 120.872 -1.139 17606 5507 1 14 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.485 0.288 17606 5508 1 14 . 1 1 54 54 GLU C C 54 174.099 174.099 174.938 -0.839 17606 5509 1 14 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.124 0.754 17606 5510 1 14 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.632 0.499 17606 5511 1 14 . 1 1 54 54 GLU H H 54 8.018 8.018 7.982 0.036 17606 5512 1 14 . 1 1 55 55 TRP N N 55 124.675 124.675 122.753 1.922 17606 5513 1 14 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.704 -0.460 17606 5514 1 14 . 1 1 55 55 TRP C C 55 177.088 177.088 176.259 0.829 17606 5515 1 14 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.342 0.047 17606 5516 1 14 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.771 -1.358 17606 5517 1 14 . 1 1 55 55 TRP H H 55 8.760 8.760 8.610 0.150 17606 5518 1 14 . 1 1 56 56 VAL N N 56 119.873 119.873 117.421 2.452 17606 5519 1 14 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.722 0.202 17606 5520 1 14 . 1 1 56 56 VAL C C 56 174.866 174.866 174.218 0.648 17606 5521 1 14 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.997 -0.029 17606 5522 1 14 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.291 0.570 17606 5523 1 14 . 1 1 56 56 VAL H H 56 10.006 10.006 9.256 0.750 17606 5524 1 14 . 1 1 57 57 LYS N N 57 120.466 120.466 125.211 -4.745 17606 5525 1 14 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.780 0.085 17606 5526 1 14 . 1 1 57 57 LYS C C 57 178.120 178.120 177.989 0.131 17606 5527 1 14 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.498 -0.057 17606 5528 1 14 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.016 0.168 17606 5529 1 14 . 1 1 57 57 LYS H H 57 8.361 8.361 8.501 -0.140 17606 5530 1 14 . 1 1 58 58 ALA N N 58 120.318 120.318 125.692 -5.374 17606 5531 1 14 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.475 -0.321 17606 5532 1 14 . 1 1 58 58 ALA C C 58 179.508 179.508 179.804 -0.296 17606 5533 1 14 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.636 0.053 17606 5534 1 14 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.991 0.483 17606 5535 1 14 . 1 1 58 58 ALA H H 58 9.064 9.064 8.897 0.167 17606 5536 1 14 . 1 1 59 59 ASP N N 59 113.824 113.824 116.727 -2.903 17606 5537 1 14 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.472 0.065 17606 5538 1 14 . 1 1 59 59 ASP C C 59 177.499 177.499 176.897 0.602 17606 5539 1 14 . 1 1 59 59 ASP CA C 59 55.653 55.653 57.212 -1.559 17606 5540 1 14 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.606 -0.872 17606 5541 1 14 . 1 1 59 59 ASP H H 59 8.256 8.256 8.751 -0.495 17606 5542 1 14 . 1 1 60 60 ARG N N 60 118.041 118.041 116.624 1.417 17606 5543 1 14 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.464 -0.173 17606 5544 1 14 . 1 1 60 60 ARG C C 60 174.918 174.918 174.726 0.192 17606 5545 1 14 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.081 1.063 17606 5546 1 14 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.053 -0.044 17606 5547 1 14 . 1 1 60 60 ARG H H 60 7.931 7.931 7.938 -0.007 17606 5548 1 14 . 1 1 61 61 ILE N N 61 118.787 118.787 118.956 -0.169 17606 5549 1 14 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.592 -0.475 17606 5550 1 14 . 1 1 61 61 ILE C C 61 175.243 175.243 175.602 -0.359 17606 5551 1 14 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.968 0.445 17606 5552 1 14 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.423 -1.995 17606 5553 1 14 . 1 1 61 61 ILE H H 61 7.463 7.463 7.340 0.123 17606 5554 1 14 . 1 1 62 62 ILE N N 62 127.975 127.975 125.564 2.411 17606 5555 1 14 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.428 -0.272 17606 5556 1 14 . 1 1 62 62 ILE C C 62 175.867 175.867 174.988 0.879 17606 5557 1 14 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.939 0.497 17606 5558 1 14 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.093 0.226 17606 5559 1 14 . 1 1 62 62 ILE H H 62 8.773 8.773 8.968 -0.195 17606 5560 1 14 . 1 1 63 63 TRP N N 63 131.233 131.233 129.285 1.948 17606 5561 1 14 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.756 -0.194 17606 5562 1 14 . 1 1 63 63 TRP C C 63 174.859 174.859 174.703 0.156 17606 5563 1 14 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.798 -0.256 17606 5564 1 14 . 1 1 63 63 TRP CB C 63 28.659 28.659 28.709 -0.050 17606 5565 1 14 . 1 1 63 63 TRP H H 63 8.506 8.506 8.334 0.172 17606 5566 1 14 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.364 0.185 17606 5567 1 14 . 1 1 64 64 PRO C C 64 176.966 176.966 175.840 1.126 17606 5568 1 14 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.688 -0.557 17606 5569 1 14 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.641 0.384 17606 5570 1 14 . 1 1 65 65 LEU N N 65 121.886 121.886 124.039 -2.153 17606 5571 1 14 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.469 -0.136 17606 5572 1 14 . 1 1 65 65 LEU C C 65 177.243 177.243 175.194 2.049 17606 5573 1 14 . 1 1 65 65 LEU CA C 65 55.492 55.492 53.961 1.531 17606 5574 1 14 . 1 1 65 65 LEU CB C 65 42.370 42.370 45.742 -3.372 17606 5575 1 14 . 1 1 65 65 LEU H H 65 8.426 8.426 7.602 0.824 17606 5576 1 14 . 1 1 66 66 ASP N N 66 120.509 120.509 122.632 -2.123 17606 5577 1 14 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.583 -0.005 17606 5578 1 14 . 1 1 66 66 ASP C C 66 176.402 176.402 175.702 0.700 17606 5579 1 14 . 1 1 66 66 ASP CA C 66 54.249 54.249 54.785 -0.536 17606 5580 1 14 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.844 0.312 17606 5581 1 14 . 1 1 66 66 ASP H H 66 8.348 8.348 8.467 -0.119 17606 5582 1 14 . 1 1 67 67 LYS N N 67 121.925 121.925 126.639 -4.714 17606 5583 1 14 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.478 -0.200 17606 5584 1 14 . 1 1 67 67 LYS C C 67 177.158 177.158 176.539 0.619 17606 5585 1 14 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.808 0.791 17606 5586 1 14 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.130 0.623 17606 5587 1 14 . 1 1 67 67 LYS H H 67 8.327 8.327 8.377 -0.050 17606 5588 1 14 . 1 1 68 68 GLY N N 68 109.417 109.417 113.494 -4.077 17606 5589 1 14 . 1 1 68 68 GLY C C 68 174.413 174.413 175.126 -0.713 17606 5590 1 14 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.831 0.792 17606 5591 1 14 . 1 1 68 68 GLY H H 68 8.558 8.558 8.802 -0.244 17606 5592 1 14 . 1 1 69 69 LEU N N 69 120.937 120.937 119.117 1.820 17606 5593 1 14 . 1 1 69 69 LEU HA H 69 4.255 4.255 3.875 0.380 17606 5594 1 14 . 1 1 69 69 LEU C C 69 177.559 177.559 176.550 1.009 17606 5595 1 14 . 1 1 69 69 LEU CA C 69 55.326 55.326 56.425 -1.099 17606 5596 1 14 . 1 1 69 69 LEU CB C 69 42.169 42.169 40.623 1.546 17606 5597 1 14 . 1 1 69 69 LEU H H 69 7.972 7.972 8.294 -0.322 17606 5598 1 14 . 1 1 70 70 GLU N N 70 120.764 120.764 121.398 -0.634 17606 5599 1 14 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.501 -0.375 17606 5600 1 14 . 1 1 70 70 GLU C C 70 176.435 176.435 176.326 0.109 17606 5601 1 14 . 1 1 70 70 GLU CA C 70 57.150 57.150 55.830 1.320 17606 5602 1 14 . 1 1 70 70 GLU CB C 70 29.859 29.859 29.199 0.660 17606 5603 1 14 . 1 1 70 70 GLU H H 70 8.443 8.443 8.019 0.424 17606 5604 1 14 . 1 1 71 71 HIS N N 71 119.554 119.554 126.314 -6.760 17606 5605 1 14 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.866 -0.268 17606 5606 1 14 . 1 1 71 71 HIS C C 71 174.001 174.001 174.667 -0.666 17606 5607 1 14 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.139 0.939 17606 5608 1 14 . 1 1 71 71 HIS CB C 71 30.551 30.551 30.430 0.121 17606 5609 1 14 . 1 1 71 71 HIS H H 71 8.223 8.223 8.347 -0.124 17606 5610 1 14 . 1 1 72 72 HIS N N 72 125.509 125.509 123.345 2.164 17606 5611 1 14 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.445 -0.031 17606 5612 1 14 . 1 1 72 72 HIS C C 72 179.225 179.225 176.351 2.874 17606 5613 1 14 . 1 1 72 72 HIS CA C 72 57.363 57.363 58.235 -0.872 17606 5614 1 14 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.242 0.208 17606 5615 1 14 . 1 1 72 72 HIS H H 72 8.101 8.101 8.962 -0.861 17606 5616 1 14 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.624 -0.080 17606 5617 1 14 . 1 1 73 73 HIS CA C 73 56.078 56.078 57.568 -1.490 17606 5618 1 14 . 1 1 73 73 HIS CB C 73 30.551 30.551 29.930 0.621 17606 5619 1 14 . 1 1 74 74 HIS N N 74 120.202 120.202 116.049 4.153 17606 5620 1 14 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.222 -0.020 17606 5621 1 14 . 1 1 74 74 HIS CA C 74 56.035 56.035 58.128 -2.093 17606 5622 1 14 . 1 1 74 74 HIS CB C 74 30.232 30.232 28.692 1.540 17606 5623 1 14 . 1 1 74 74 HIS H H 74 8.189 8.189 8.516 -0.327 17606 5624 1 14 . 1 1 75 75 HIS N N 75 120.367 120.367 119.561 0.806 17606 5625 1 14 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.483 -0.060 17606 5626 1 14 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.035 -0.520 17606 5627 1 14 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.878 2.390 17606 5628 1 14 . 1 1 75 75 HIS H H 75 8.258 8.258 8.234 0.024 17606 5629 1 15 . 1 1 2 2 ASP N N 2 121.539 121.539 123.594 -2.055 17606 5630 1 15 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.652 -0.097 17606 5631 1 15 . 1 1 2 2 ASP C C 2 176.030 176.030 176.463 -0.433 17606 5632 1 15 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.311 0.242 17606 5633 1 15 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.399 -0.095 17606 5634 1 15 . 1 1 2 2 ASP H H 2 8.515 8.515 8.555 -0.040 17606 5635 1 15 . 1 1 3 3 MET N N 3 120.469 120.469 122.756 -2.287 17606 5636 1 15 . 1 1 3 3 MET HA H 3 4.472 4.472 4.223 0.249 17606 5637 1 15 . 1 1 3 3 MET C C 3 176.040 176.040 174.900 1.140 17606 5638 1 15 . 1 1 3 3 MET CA C 3 55.373 55.373 56.053 -0.680 17606 5639 1 15 . 1 1 3 3 MET CB C 3 33.196 33.196 32.367 0.829 17606 5640 1 15 . 1 1 3 3 MET H H 3 8.340 8.340 8.556 -0.216 17606 5641 1 15 . 1 1 4 4 GLU N N 4 123.512 123.512 125.394 -1.882 17606 5642 1 15 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.490 0.048 17606 5643 1 15 . 1 1 4 4 GLU C C 4 174.592 174.592 175.012 -0.420 17606 5644 1 15 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.778 -0.224 17606 5645 1 15 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.539 -0.893 17606 5646 1 15 . 1 1 4 4 GLU H H 4 8.424 8.424 8.377 0.047 17606 5647 1 15 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.391 0.011 17606 5648 1 15 . 1 1 5 5 PRO C C 5 176.669 176.669 176.616 0.053 17606 5649 1 15 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.260 0.231 17606 5650 1 15 . 1 1 5 5 PRO CB C 5 32.002 32.002 32.244 -0.242 17606 5651 1 15 . 1 1 6 6 CYS N N 6 119.970 119.970 118.726 1.244 17606 5652 1 15 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.463 0.059 17606 5653 1 15 . 1 1 6 6 CYS C C 6 175.020 175.020 175.426 -0.406 17606 5654 1 15 . 1 1 6 6 CYS CA C 6 58.662 58.662 59.434 -0.772 17606 5655 1 15 . 1 1 6 6 CYS CB C 6 27.638 27.638 26.630 1.008 17606 5656 1 15 . 1 1 6 6 CYS H H 6 8.539 8.539 7.986 0.553 17606 5657 1 15 . 1 1 7 7 LEU N N 7 125.146 125.146 121.888 3.258 17606 5658 1 15 . 1 1 7 7 LEU HA H 7 4.433 4.433 3.962 0.471 17606 5659 1 15 . 1 1 7 7 LEU C C 7 178.244 178.244 176.600 1.644 17606 5660 1 15 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.627 -1.266 17606 5661 1 15 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.106 2.581 17606 5662 1 15 . 1 1 7 7 LEU H H 7 8.649 8.649 8.850 -0.201 17606 5663 1 15 . 1 1 8 8 THR N N 8 116.760 116.760 115.150 1.610 17606 5664 1 15 . 1 1 8 8 THR HA H 8 3.966 3.966 3.955 0.011 17606 5665 1 15 . 1 1 8 8 THR C C 8 175.108 175.108 175.504 -0.396 17606 5666 1 15 . 1 1 8 8 THR CA C 8 64.244 64.244 64.852 -0.608 17606 5667 1 15 . 1 1 8 8 THR CB C 8 69.071 69.071 69.094 -0.023 17606 5668 1 15 . 1 1 8 8 THR H H 8 8.124 8.124 7.782 0.342 17606 5669 1 15 . 1 1 9 9 GLY N N 9 113.810 113.810 114.649 -0.839 17606 5670 1 15 . 1 1 9 9 GLY C C 9 174.510 174.510 174.635 -0.125 17606 5671 1 15 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.810 0.202 17606 5672 1 15 . 1 1 9 9 GLY H H 9 9.095 9.095 9.052 0.043 17606 5673 1 15 . 1 1 10 10 THR N N 10 116.938 116.938 119.792 -2.854 17606 5674 1 15 . 1 1 10 10 THR HA H 10 4.179 4.179 4.159 0.020 17606 5675 1 15 . 1 1 10 10 THR C C 10 173.450 173.450 173.986 -0.536 17606 5676 1 15 . 1 1 10 10 THR CA C 10 64.192 64.192 63.467 0.725 17606 5677 1 15 . 1 1 10 10 THR CB C 10 70.093 70.093 69.342 0.751 17606 5678 1 15 . 1 1 10 10 THR H H 10 8.002 8.002 7.626 0.376 17606 5679 1 15 . 1 1 11 11 LYS N N 11 127.263 127.263 128.168 -0.905 17606 5680 1 15 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.648 0.178 17606 5681 1 15 . 1 1 11 11 LYS C C 11 176.157 176.157 175.401 0.756 17606 5682 1 15 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.925 0.816 17606 5683 1 15 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.883 -0.328 17606 5684 1 15 . 1 1 11 11 LYS H H 11 8.514 8.514 8.616 -0.102 17606 5685 1 15 . 1 1 12 12 VAL N N 12 116.892 116.892 124.176 -7.284 17606 5686 1 15 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.316 0.274 17606 5687 1 15 . 1 1 12 12 VAL C C 12 174.476 174.476 173.477 0.999 17606 5688 1 15 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.976 0.236 17606 5689 1 15 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.950 -0.406 17606 5690 1 15 . 1 1 12 12 VAL H H 12 8.738 8.738 8.840 -0.102 17606 5691 1 15 . 1 1 13 13 LYS N N 13 118.427 118.427 121.818 -3.391 17606 5692 1 15 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.688 0.435 17606 5693 1 15 . 1 1 13 13 LYS C C 13 174.853 174.853 174.663 0.190 17606 5694 1 15 . 1 1 13 13 LYS CA C 13 54.983 54.983 55.284 -0.301 17606 5695 1 15 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.880 0.906 17606 5696 1 15 . 1 1 13 13 LYS H H 13 7.677 7.677 7.924 -0.247 17606 5697 1 15 . 1 1 14 14 VAL N N 14 120.913 120.913 124.282 -3.369 17606 5698 1 15 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.558 0.268 17606 5699 1 15 . 1 1 14 14 VAL C C 14 175.645 175.645 174.047 1.598 17606 5700 1 15 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.613 -0.222 17606 5701 1 15 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.814 1.213 17606 5702 1 15 . 1 1 14 14 VAL H H 14 9.178 9.178 9.350 -0.172 17606 5703 1 15 . 1 1 15 15 LYS N N 15 125.862 125.862 128.128 -2.266 17606 5704 1 15 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.623 -0.041 17606 5705 1 15 . 1 1 15 15 LYS C C 15 175.430 175.430 174.948 0.482 17606 5706 1 15 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.186 1.505 17606 5707 1 15 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.055 -0.291 17606 5708 1 15 . 1 1 15 15 LYS H H 15 9.010 9.010 8.826 0.184 17606 5709 1 15 . 1 1 16 16 TYR N N 16 127.499 127.499 128.607 -1.108 17606 5710 1 15 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.745 -0.107 17606 5711 1 15 . 1 1 16 16 TYR C C 16 175.096 175.096 173.539 1.557 17606 5712 1 15 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.186 1.162 17606 5713 1 15 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.587 0.907 17606 5714 1 15 . 1 1 16 16 TYR H H 16 9.305 9.305 8.668 0.637 17606 5715 1 15 . 1 1 17 17 GLY N N 17 115.501 115.501 113.530 1.971 17606 5716 1 15 . 1 1 17 17 GLY C C 17 173.380 173.380 171.652 1.728 17606 5717 1 15 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.158 -0.942 17606 5718 1 15 . 1 1 17 17 GLY H H 17 8.383 8.383 8.077 0.306 17606 5719 1 15 . 1 1 18 18 ARG N N 18 117.847 117.847 123.153 -5.306 17606 5720 1 15 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.758 -0.153 17606 5721 1 15 . 1 1 18 18 ARG C C 18 175.941 175.941 176.107 -0.166 17606 5722 1 15 . 1 1 18 18 ARG CA C 18 55.340 55.340 55.087 0.254 17606 5723 1 15 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.835 1.351 17606 5724 1 15 . 1 1 18 18 ARG H H 18 8.305 8.305 8.815 -0.510 17606 5725 1 15 . 1 1 19 19 GLY N N 19 110.572 110.572 115.498 -4.926 17606 5726 1 15 . 1 1 19 19 GLY C C 19 176.227 176.227 174.544 1.683 17606 5727 1 15 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.268 -0.378 17606 5728 1 15 . 1 1 19 19 GLY H H 19 8.857 8.857 8.717 0.140 17606 5729 1 15 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.318 -0.134 17606 5730 1 15 . 1 1 20 20 LYS C C 20 177.694 177.694 177.819 -0.125 17606 5731 1 15 . 1 1 20 20 LYS CA C 20 58.379 58.379 56.909 1.470 17606 5732 1 15 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.983 -0.490 17606 5733 1 15 . 1 1 20 20 LYS H H 20 6.723 6.723 8.458 -1.735 17606 5734 1 15 . 1 1 21 21 THR N N 21 108.329 108.329 120.081 -11.752 17606 5735 1 15 . 1 1 21 21 THR HA H 21 4.437 4.437 4.269 0.168 17606 5736 1 15 . 1 1 21 21 THR C C 21 173.999 173.999 172.703 1.296 17606 5737 1 15 . 1 1 21 21 THR CA C 21 60.895 60.895 62.605 -1.710 17606 5738 1 15 . 1 1 21 21 THR CB C 21 68.907 68.907 67.760 1.147 17606 5739 1 15 . 1 1 21 21 THR H H 21 7.839 7.839 7.713 0.126 17606 5740 1 15 . 1 1 22 22 GLN N N 22 123.126 123.126 124.910 -1.784 17606 5741 1 15 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.643 -0.213 17606 5742 1 15 . 1 1 22 22 GLN C C 22 175.190 175.190 174.445 0.745 17606 5743 1 15 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.714 2.081 17606 5744 1 15 . 1 1 22 22 GLN CB C 22 31.031 31.031 30.793 0.238 17606 5745 1 15 . 1 1 22 22 GLN H H 22 7.503 7.503 7.986 -0.483 17606 5746 1 15 . 1 1 23 23 LYS N N 23 126.763 126.763 128.925 -2.162 17606 5747 1 15 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.492 0.045 17606 5748 1 15 . 1 1 23 23 LYS C C 23 174.087 174.087 173.984 0.103 17606 5749 1 15 . 1 1 23 23 LYS CA C 23 54.444 54.444 55.549 -1.105 17606 5750 1 15 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.432 1.063 17606 5751 1 15 . 1 1 23 23 LYS H H 23 8.937 8.937 8.677 0.260 17606 5752 1 15 . 1 1 24 24 ILE N N 24 120.287 120.287 125.840 -5.553 17606 5753 1 15 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.839 -0.089 17606 5754 1 15 . 1 1 24 24 ILE C C 24 175.772 175.772 175.679 0.093 17606 5755 1 15 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.773 0.147 17606 5756 1 15 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.236 0.018 17606 5757 1 15 . 1 1 24 24 ILE H H 24 7.980 7.980 8.296 -0.316 17606 5758 1 15 . 1 1 25 25 TYR N N 25 126.020 126.020 125.173 0.847 17606 5759 1 15 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.050 0.021 17606 5760 1 15 . 1 1 25 25 TYR C C 25 175.859 175.859 173.755 2.104 17606 5761 1 15 . 1 1 25 25 TYR CA C 25 55.860 55.860 54.432 1.428 17606 5762 1 15 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.066 2.401 17606 5763 1 15 . 1 1 25 25 TYR H H 25 8.885 8.885 9.486 -0.601 17606 5764 1 15 . 1 1 26 26 GLU N N 26 121.186 121.186 119.994 1.192 17606 5765 1 15 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.021 -0.379 17606 5766 1 15 . 1 1 26 26 GLU C C 26 176.001 176.001 175.517 0.484 17606 5767 1 15 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.398 1.730 17606 5768 1 15 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.968 -1.244 17606 5769 1 15 . 1 1 26 26 GLU H H 26 8.915 8.915 8.820 0.095 17606 5770 1 15 . 1 1 27 27 ALA N N 27 125.281 125.281 126.315 -1.034 17606 5771 1 15 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.566 0.404 17606 5772 1 15 . 1 1 27 27 ALA C C 27 175.178 175.178 174.967 0.211 17606 5773 1 15 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.484 0.831 17606 5774 1 15 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.063 2.592 17606 5775 1 15 . 1 1 27 27 ALA H H 27 8.834 8.834 9.083 -0.249 17606 5776 1 15 . 1 1 28 28 SER N N 28 112.133 112.133 113.391 -1.258 17606 5777 1 15 . 1 1 28 28 SER HA H 28 5.328 5.328 5.335 -0.007 17606 5778 1 15 . 1 1 28 28 SER C C 28 174.404 174.404 173.889 0.515 17606 5779 1 15 . 1 1 28 28 SER CA C 28 56.133 56.133 55.982 0.151 17606 5780 1 15 . 1 1 28 28 SER CB C 28 66.075 66.075 65.244 0.831 17606 5781 1 15 . 1 1 28 28 SER H H 28 8.529 8.529 8.587 -0.058 17606 5782 1 15 . 1 1 29 29 ILE N N 29 122.044 122.044 125.577 -3.533 17606 5783 1 15 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.079 0.063 17606 5784 1 15 . 1 1 29 29 ILE C C 29 176.473 176.473 176.097 0.376 17606 5785 1 15 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.919 0.642 17606 5786 1 15 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.651 1.373 17606 5787 1 15 . 1 1 29 29 ILE H H 29 8.431 8.431 9.040 -0.609 17606 5788 1 15 . 1 1 30 30 LYS N N 30 128.795 128.795 128.090 0.705 17606 5789 1 15 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.383 0.027 17606 5790 1 15 . 1 1 30 30 LYS C C 30 176.559 176.559 176.389 0.170 17606 5791 1 15 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.111 0.898 17606 5792 1 15 . 1 1 30 30 LYS CB C 30 33.881 33.881 35.341 -1.460 17606 5793 1 15 . 1 1 30 30 LYS H H 30 9.687 9.687 9.146 0.541 17606 5794 1 15 . 1 1 31 31 SER N N 31 111.044 111.044 113.084 -2.040 17606 5795 1 15 . 1 1 31 31 SER HA H 31 4.671 4.671 5.105 -0.434 17606 5796 1 15 . 1 1 31 31 SER C C 31 172.457 172.457 172.631 -0.174 17606 5797 1 15 . 1 1 31 31 SER CA C 31 57.353 57.353 57.738 -0.385 17606 5798 1 15 . 1 1 31 31 SER CB C 31 64.824 64.824 67.472 -2.648 17606 5799 1 15 . 1 1 31 31 SER H H 31 7.537 7.537 7.941 -0.404 17606 5800 1 15 . 1 1 32 32 THR N N 32 113.911 113.911 116.492 -2.581 17606 5801 1 15 . 1 1 32 32 THR HA H 32 5.564 5.564 4.912 0.652 17606 5802 1 15 . 1 1 32 32 THR C C 32 173.003 173.003 173.217 -0.214 17606 5803 1 15 . 1 1 32 32 THR CA C 32 60.589 60.589 61.423 -0.834 17606 5804 1 15 . 1 1 32 32 THR CB C 32 72.217 72.217 71.612 0.605 17606 5805 1 15 . 1 1 32 32 THR H H 32 8.237 8.237 8.708 -0.471 17606 5806 1 15 . 1 1 33 33 GLU N N 33 123.514 123.514 124.821 -1.307 17606 5807 1 15 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.740 -0.112 17606 5808 1 15 . 1 1 33 33 GLU C C 33 173.487 173.487 174.451 -0.964 17606 5809 1 15 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.134 0.322 17606 5810 1 15 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.376 -0.277 17606 5811 1 15 . 1 1 33 33 GLU H H 33 8.970 8.970 9.249 -0.279 17606 5812 1 15 . 1 1 34 34 ILE N N 34 122.095 122.095 123.619 -1.524 17606 5813 1 15 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.925 -0.190 17606 5814 1 15 . 1 1 34 34 ILE C C 34 175.620 175.620 175.122 0.498 17606 5815 1 15 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.067 -0.020 17606 5816 1 15 . 1 1 34 34 ILE CB C 34 38.657 38.657 38.743 -0.086 17606 5817 1 15 . 1 1 34 34 ILE H H 34 8.505 8.505 8.548 -0.043 17606 5818 1 15 . 1 1 35 35 ASP N N 35 127.840 127.840 128.223 -0.383 17606 5819 1 15 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.768 0.005 17606 5820 1 15 . 1 1 35 35 ASP C C 35 175.804 175.804 175.630 0.174 17606 5821 1 15 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.857 -0.622 17606 5822 1 15 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.132 -0.713 17606 5823 1 15 . 1 1 35 35 ASP H H 35 8.948 8.948 8.975 -0.027 17606 5824 1 15 . 1 1 36 36 ASP N N 36 127.315 127.315 124.991 2.324 17606 5825 1 15 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.394 -0.131 17606 5826 1 15 . 1 1 36 36 ASP C C 36 175.993 175.993 176.297 -0.304 17606 5827 1 15 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.447 0.673 17606 5828 1 15 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.716 -1.057 17606 5829 1 15 . 1 1 36 36 ASP H H 36 9.065 9.065 8.750 0.315 17606 5830 1 15 . 1 1 37 37 GLY N N 37 103.112 103.112 104.520 -1.408 17606 5831 1 15 . 1 1 37 37 GLY C C 37 173.541 173.541 173.529 0.012 17606 5832 1 15 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.142 0.329 17606 5833 1 15 . 1 1 37 37 GLY H H 37 8.045 8.045 8.362 -0.317 17606 5834 1 15 . 1 1 38 38 GLU N N 38 121.172 121.172 117.078 4.094 17606 5835 1 15 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.736 -0.085 17606 5836 1 15 . 1 1 38 38 GLU C C 38 174.246 174.246 174.147 0.099 17606 5837 1 15 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.117 0.602 17606 5838 1 15 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.616 -0.411 17606 5839 1 15 . 1 1 38 38 GLU H H 38 7.769 7.769 7.438 0.331 17606 5840 1 15 . 1 1 39 39 VAL N N 39 123.983 123.983 122.706 1.277 17606 5841 1 15 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.974 -0.764 17606 5842 1 15 . 1 1 39 39 VAL C C 39 174.546 174.546 173.762 0.784 17606 5843 1 15 . 1 1 39 39 VAL CA C 39 63.041 63.041 60.389 2.652 17606 5844 1 15 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.965 -0.696 17606 5845 1 15 . 1 1 39 39 VAL H H 39 8.455 8.455 8.790 -0.335 17606 5846 1 15 . 1 1 40 40 LEU N N 40 127.105 127.105 128.879 -1.774 17606 5847 1 15 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.274 -0.182 17606 5848 1 15 . 1 1 40 40 LEU C C 40 175.819 175.819 175.966 -0.147 17606 5849 1 15 . 1 1 40 40 LEU CA C 40 53.253 53.253 52.293 0.960 17606 5850 1 15 . 1 1 40 40 LEU CB C 40 46.490 46.490 42.733 3.757 17606 5851 1 15 . 1 1 40 40 LEU H H 40 8.947 8.947 9.207 -0.260 17606 5852 1 15 . 1 1 41 41 TYR N N 41 119.021 119.021 121.295 -2.274 17606 5853 1 15 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.959 0.148 17606 5854 1 15 . 1 1 41 41 TYR C C 41 173.968 173.968 174.503 -0.535 17606 5855 1 15 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.224 -0.368 17606 5856 1 15 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.584 -0.442 17606 5857 1 15 . 1 1 41 41 TYR H H 41 9.337 9.337 9.613 -0.276 17606 5858 1 15 . 1 1 42 42 LEU N N 42 128.770 128.770 125.040 3.730 17606 5859 1 15 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.622 -0.649 17606 5860 1 15 . 1 1 42 42 LEU C C 42 175.491 175.491 174.755 0.736 17606 5861 1 15 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.572 0.795 17606 5862 1 15 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.727 -3.031 17606 5863 1 15 . 1 1 42 42 LEU H H 42 8.304 8.304 8.886 -0.582 17606 5864 1 15 . 1 1 43 43 VAL N N 43 121.269 121.269 122.506 -1.237 17606 5865 1 15 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.924 0.056 17606 5866 1 15 . 1 1 43 43 VAL C C 43 173.257 173.257 173.280 -0.023 17606 5867 1 15 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.942 -0.631 17606 5868 1 15 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.866 -0.812 17606 5869 1 15 . 1 1 43 43 VAL H H 43 8.847 8.847 8.840 0.007 17606 5870 1 15 . 1 1 44 44 HIS N N 44 118.126 118.126 123.753 -5.627 17606 5871 1 15 . 1 1 44 44 HIS C C 44 174.272 174.272 173.681 0.591 17606 5872 1 15 . 1 1 44 44 HIS CA C 44 53.319 53.319 54.062 -0.743 17606 5873 1 15 . 1 1 44 44 HIS CB C 44 31.016 31.016 34.459 -3.442 17606 5874 1 15 . 1 1 44 44 HIS H H 44 8.286 8.286 8.797 -0.511 17606 5875 1 15 . 1 1 45 45 TYR N N 45 127.711 127.711 127.759 -0.048 17606 5876 1 15 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.322 -0.223 17606 5877 1 15 . 1 1 45 45 TYR C C 45 175.343 175.343 175.059 0.284 17606 5878 1 15 . 1 1 45 45 TYR CA C 45 58.240 58.240 58.348 -0.108 17606 5879 1 15 . 1 1 45 45 TYR CB C 45 37.500 37.500 36.765 0.735 17606 5880 1 15 . 1 1 45 45 TYR H H 45 8.013 8.013 8.341 -0.328 17606 5881 1 15 . 1 1 46 46 TYR N N 46 121.373 121.373 120.032 1.341 17606 5882 1 15 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.132 0.082 17606 5883 1 15 . 1 1 46 46 TYR CA C 46 58.945 58.945 59.141 -0.196 17606 5884 1 15 . 1 1 46 46 TYR CB C 46 38.400 38.400 36.203 2.197 17606 5885 1 15 . 1 1 46 46 TYR H H 46 7.842 7.842 8.058 -0.216 17606 5886 1 15 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.414 0.733 17606 5887 1 15 . 1 1 48 48 TRP N N 48 121.413 121.413 119.316 2.097 17606 5888 1 15 . 1 1 48 48 TRP CA C 48 55.966 55.966 55.286 0.680 17606 5889 1 15 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.646 -0.247 17606 5890 1 15 . 1 1 48 48 TRP H H 48 8.105 8.105 7.897 0.208 17606 5891 1 15 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.099 0.075 17606 5892 1 15 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.368 -1.485 17606 5893 1 15 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.075 0.149 17606 5894 1 15 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.299 -0.181 17606 5895 1 15 . 1 1 51 51 ARG C C 51 176.010 176.010 176.197 -0.187 17606 5896 1 15 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.699 0.305 17606 5897 1 15 . 1 1 51 51 ARG CB C 51 29.934 29.934 31.006 -1.072 17606 5898 1 15 . 1 1 52 52 TYR N N 52 119.263 119.263 122.185 -2.922 17606 5899 1 15 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.627 0.009 17606 5900 1 15 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.929 1.071 17606 5901 1 15 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.727 0.077 17606 5902 1 15 . 1 1 52 52 TYR H H 52 7.860 7.860 8.204 -0.344 17606 5903 1 15 . 1 1 53 53 ASP N N 53 122.103 122.103 126.909 -4.806 17606 5904 1 15 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.826 0.151 17606 5905 1 15 . 1 1 53 53 ASP CA C 53 55.272 55.272 52.671 2.601 17606 5906 1 15 . 1 1 53 53 ASP CB C 53 40.304 40.304 43.358 -3.054 17606 5907 1 15 . 1 1 53 53 ASP H H 53 8.014 8.014 7.984 0.030 17606 5908 1 15 . 1 1 54 54 GLU N N 54 119.733 119.733 123.698 -3.965 17606 5909 1 15 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.596 0.177 17606 5910 1 15 . 1 1 54 54 GLU C C 54 174.099 174.099 174.427 -0.328 17606 5911 1 15 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.891 -0.013 17606 5912 1 15 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.442 0.689 17606 5913 1 15 . 1 1 54 54 GLU H H 54 8.018 8.018 7.903 0.115 17606 5914 1 15 . 1 1 55 55 TRP N N 55 124.675 124.675 124.619 0.056 17606 5915 1 15 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.666 -0.422 17606 5916 1 15 . 1 1 55 55 TRP C C 55 177.088 177.088 175.909 1.179 17606 5917 1 15 . 1 1 55 55 TRP CA C 55 56.389 56.389 55.872 0.517 17606 5918 1 15 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.731 -1.318 17606 5919 1 15 . 1 1 55 55 TRP H H 55 8.760 8.760 8.732 0.028 17606 5920 1 15 . 1 1 56 56 VAL N N 56 119.873 119.873 123.019 -3.146 17606 5921 1 15 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.645 0.279 17606 5922 1 15 . 1 1 56 56 VAL C C 56 174.866 174.866 174.816 0.050 17606 5923 1 15 . 1 1 56 56 VAL CA C 56 58.968 58.968 59.905 -0.937 17606 5924 1 15 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.840 0.021 17606 5925 1 15 . 1 1 56 56 VAL H H 56 10.006 10.006 9.117 0.889 17606 5926 1 15 . 1 1 57 57 LYS N N 57 120.466 120.466 125.463 -4.997 17606 5927 1 15 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.914 -0.049 17606 5928 1 15 . 1 1 57 57 LYS C C 57 178.120 178.120 178.122 -0.002 17606 5929 1 15 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.111 0.330 17606 5930 1 15 . 1 1 57 57 LYS CB C 57 34.184 34.184 33.899 0.285 17606 5931 1 15 . 1 1 57 57 LYS H H 57 8.361 8.361 8.792 -0.431 17606 5932 1 15 . 1 1 58 58 ALA N N 58 120.318 120.318 128.402 -8.084 17606 5933 1 15 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.134 0.020 17606 5934 1 15 . 1 1 58 58 ALA C C 58 179.508 179.508 179.583 -0.075 17606 5935 1 15 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.612 0.077 17606 5936 1 15 . 1 1 58 58 ALA CB C 58 19.474 19.474 19.038 0.436 17606 5937 1 15 . 1 1 58 58 ALA H H 58 9.064 9.064 8.638 0.426 17606 5938 1 15 . 1 1 59 59 ASP N N 59 113.824 113.824 116.093 -2.269 17606 5939 1 15 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.524 0.013 17606 5940 1 15 . 1 1 59 59 ASP C C 59 177.499 177.499 177.504 -0.005 17606 5941 1 15 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.756 -1.103 17606 5942 1 15 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.511 -0.777 17606 5943 1 15 . 1 1 59 59 ASP H H 59 8.256 8.256 8.754 -0.498 17606 5944 1 15 . 1 1 60 60 ARG N N 60 118.041 118.041 117.683 0.358 17606 5945 1 15 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.468 -0.177 17606 5946 1 15 . 1 1 60 60 ARG C C 60 174.918 174.918 174.960 -0.042 17606 5947 1 15 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.904 0.240 17606 5948 1 15 . 1 1 60 60 ARG CB C 60 31.009 31.009 31.089 -0.080 17606 5949 1 15 . 1 1 60 60 ARG H H 60 7.931 7.931 7.887 0.044 17606 5950 1 15 . 1 1 61 61 ILE N N 61 118.787 118.787 119.740 -0.953 17606 5951 1 15 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.390 -0.273 17606 5952 1 15 . 1 1 61 61 ILE C C 61 175.243 175.243 175.132 0.111 17606 5953 1 15 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.949 0.464 17606 5954 1 15 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.229 -1.801 17606 5955 1 15 . 1 1 61 61 ILE H H 61 7.463 7.463 7.407 0.056 17606 5956 1 15 . 1 1 62 62 ILE N N 62 127.975 127.975 124.589 3.386 17606 5957 1 15 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.205 -0.049 17606 5958 1 15 . 1 1 62 62 ILE C C 62 175.867 175.867 174.877 0.990 17606 5959 1 15 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.722 0.714 17606 5960 1 15 . 1 1 62 62 ILE CB C 62 38.319 38.319 37.792 0.527 17606 5961 1 15 . 1 1 62 62 ILE H H 62 8.773 8.773 8.440 0.333 17606 5962 1 15 . 1 1 63 63 TRP N N 63 131.233 131.233 129.520 1.713 17606 5963 1 15 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.778 -0.216 17606 5964 1 15 . 1 1 63 63 TRP C C 63 174.859 174.859 174.775 0.084 17606 5965 1 15 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.312 0.230 17606 5966 1 15 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.269 -0.610 17606 5967 1 15 . 1 1 63 63 TRP H H 63 8.506 8.506 8.191 0.315 17606 5968 1 15 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.497 0.052 17606 5969 1 15 . 1 1 64 64 PRO C C 64 176.966 176.966 175.688 1.278 17606 5970 1 15 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.518 -0.387 17606 5971 1 15 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.994 0.031 17606 5972 1 15 . 1 1 65 65 LEU N N 65 121.886 121.886 127.743 -5.857 17606 5973 1 15 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.533 -0.200 17606 5974 1 15 . 1 1 65 65 LEU C C 65 177.243 177.243 176.845 0.398 17606 5975 1 15 . 1 1 65 65 LEU CA C 65 55.492 55.492 55.038 0.454 17606 5976 1 15 . 1 1 65 65 LEU CB C 65 42.370 42.370 42.702 -0.332 17606 5977 1 15 . 1 1 65 65 LEU H H 65 8.426 8.426 8.431 -0.005 17606 5978 1 15 . 1 1 66 66 ASP N N 66 120.509 120.509 122.892 -2.383 17606 5979 1 15 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.336 0.242 17606 5980 1 15 . 1 1 66 66 ASP C C 66 176.402 176.402 176.455 -0.053 17606 5981 1 15 . 1 1 66 66 ASP CA C 66 54.249 54.249 56.530 -2.281 17606 5982 1 15 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.065 1.091 17606 5983 1 15 . 1 1 66 66 ASP H H 66 8.348 8.348 8.911 -0.563 17606 5984 1 15 . 1 1 67 67 LYS N N 67 121.925 121.925 120.171 1.754 17606 5985 1 15 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.062 0.216 17606 5986 1 15 . 1 1 67 67 LYS C C 67 177.158 177.158 175.900 1.258 17606 5987 1 15 . 1 1 67 67 LYS CA C 67 56.599 56.599 57.053 -0.455 17606 5988 1 15 . 1 1 67 67 LYS CB C 67 32.753 32.753 31.686 1.067 17606 5989 1 15 . 1 1 67 67 LYS H H 67 8.327 8.327 8.360 -0.033 17606 5990 1 15 . 1 1 68 68 GLY N N 68 109.417 109.417 106.521 2.896 17606 5991 1 15 . 1 1 68 68 GLY C C 68 174.413 174.413 174.563 -0.150 17606 5992 1 15 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.657 0.966 17606 5993 1 15 . 1 1 68 68 GLY H H 68 8.558 8.558 8.343 0.215 17606 5994 1 15 . 1 1 69 69 LEU N N 69 120.937 120.937 123.287 -2.350 17606 5995 1 15 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.195 0.060 17606 5996 1 15 . 1 1 69 69 LEU C C 69 177.559 177.559 177.458 0.101 17606 5997 1 15 . 1 1 69 69 LEU CA C 69 55.326 55.326 56.489 -1.163 17606 5998 1 15 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.952 0.217 17606 5999 1 15 . 1 1 69 69 LEU H H 69 7.972 7.972 8.133 -0.161 17606 6000 1 15 . 1 1 70 70 GLU N N 70 120.764 120.764 116.574 4.190 17606 6001 1 15 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.434 -0.308 17606 6002 1 15 . 1 1 70 70 GLU C C 70 176.435 176.435 175.327 1.108 17606 6003 1 15 . 1 1 70 70 GLU CA C 70 57.150 57.150 55.066 2.084 17606 6004 1 15 . 1 1 70 70 GLU CB C 70 29.859 29.859 31.122 -1.263 17606 6005 1 15 . 1 1 70 70 GLU H H 70 8.443 8.443 8.054 0.389 17606 6006 1 15 . 1 1 71 71 HIS N N 71 119.554 119.554 121.130 -1.576 17606 6007 1 15 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.792 -0.194 17606 6008 1 15 . 1 1 71 71 HIS C C 71 174.001 174.001 174.287 -0.286 17606 6009 1 15 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.833 0.245 17606 6010 1 15 . 1 1 71 71 HIS CB C 71 30.551 30.551 29.523 1.028 17606 6011 1 15 . 1 1 71 71 HIS H H 71 8.223 8.223 8.696 -0.473 17606 6012 1 15 . 1 1 72 72 HIS N N 72 125.509 125.509 120.105 5.404 17606 6013 1 15 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.611 -0.197 17606 6014 1 15 . 1 1 72 72 HIS C C 72 179.225 179.225 174.982 4.243 17606 6015 1 15 . 1 1 72 72 HIS CA C 72 57.363 57.363 56.567 0.796 17606 6016 1 15 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.803 -0.353 17606 6017 1 15 . 1 1 72 72 HIS H H 72 8.101 8.101 8.467 -0.366 17606 6018 1 15 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.550 -0.006 17606 6019 1 15 . 1 1 73 73 HIS CA C 73 56.078 56.078 54.890 1.188 17606 6020 1 15 . 1 1 73 73 HIS CB C 73 30.551 30.551 28.650 1.901 17606 6021 1 15 . 1 1 74 74 HIS N N 74 120.202 120.202 122.167 -1.965 17606 6022 1 15 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.212 -0.010 17606 6023 1 15 . 1 1 74 74 HIS CA C 74 56.035 56.035 57.362 -1.327 17606 6024 1 15 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.671 -0.439 17606 6025 1 15 . 1 1 74 74 HIS H H 74 8.189 8.189 8.473 -0.284 17606 6026 1 15 . 1 1 75 75 HIS N N 75 120.367 120.367 115.639 4.728 17606 6027 1 15 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.254 0.169 17606 6028 1 15 . 1 1 75 75 HIS CA C 75 55.515 55.515 58.014 -2.499 17606 6029 1 15 . 1 1 75 75 HIS CB C 75 33.268 33.268 28.689 4.579 17606 6030 1 15 . 1 1 75 75 HIS H H 75 8.258 8.258 8.359 -0.101 17606 6031 1 16 . 1 1 2 2 ASP N N 2 121.539 121.539 125.097 -3.558 17606 6032 1 16 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.647 -0.092 17606 6033 1 16 . 1 1 2 2 ASP C C 2 176.030 176.030 175.695 0.335 17606 6034 1 16 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.757 -0.203 17606 6035 1 16 . 1 1 2 2 ASP CB C 2 41.304 41.304 40.399 0.905 17606 6036 1 16 . 1 1 2 2 ASP H H 2 8.515 8.515 8.817 -0.302 17606 6037 1 16 . 1 1 3 3 MET N N 3 120.469 120.469 123.157 -2.688 17606 6038 1 16 . 1 1 3 3 MET HA H 3 4.472 4.472 4.626 -0.154 17606 6039 1 16 . 1 1 3 3 MET C C 3 176.040 176.040 173.823 2.217 17606 6040 1 16 . 1 1 3 3 MET CA C 3 55.373 55.373 56.227 -0.854 17606 6041 1 16 . 1 1 3 3 MET CB C 3 33.196 33.196 33.234 -0.038 17606 6042 1 16 . 1 1 3 3 MET H H 3 8.340 8.340 7.703 0.637 17606 6043 1 16 . 1 1 4 4 GLU N N 4 123.512 123.512 121.932 1.580 17606 6044 1 16 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.974 -0.436 17606 6045 1 16 . 1 1 4 4 GLU C C 4 174.592 174.592 174.119 0.473 17606 6046 1 16 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.560 0.994 17606 6047 1 16 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.966 -0.320 17606 6048 1 16 . 1 1 4 4 GLU H H 4 8.424 8.424 8.244 0.180 17606 6049 1 16 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.532 -0.130 17606 6050 1 16 . 1 1 5 5 PRO C C 5 176.669 176.669 176.976 -0.307 17606 6051 1 16 . 1 1 5 5 PRO CA C 5 63.491 63.491 62.399 1.092 17606 6052 1 16 . 1 1 5 5 PRO CB C 5 32.002 32.002 32.225 -0.223 17606 6053 1 16 . 1 1 6 6 CYS N N 6 119.970 119.970 124.087 -4.117 17606 6054 1 16 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.359 0.163 17606 6055 1 16 . 1 1 6 6 CYS C C 6 175.020 175.020 175.114 -0.094 17606 6056 1 16 . 1 1 6 6 CYS CA C 6 58.662 58.662 59.287 -0.625 17606 6057 1 16 . 1 1 6 6 CYS CB C 6 27.638 27.638 28.754 -1.116 17606 6058 1 16 . 1 1 6 6 CYS H H 6 8.539 8.539 8.678 -0.139 17606 6059 1 16 . 1 1 7 7 LEU N N 7 125.146 125.146 117.196 7.950 17606 6060 1 16 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.064 0.369 17606 6061 1 16 . 1 1 7 7 LEU C C 7 178.244 178.244 175.970 2.274 17606 6062 1 16 . 1 1 7 7 LEU CA C 7 55.361 55.361 55.636 -0.275 17606 6063 1 16 . 1 1 7 7 LEU CB C 7 42.687 42.687 39.864 2.823 17606 6064 1 16 . 1 1 7 7 LEU H H 7 8.649 8.649 8.392 0.257 17606 6065 1 16 . 1 1 8 8 THR N N 8 116.760 116.760 113.449 3.311 17606 6066 1 16 . 1 1 8 8 THR HA H 8 3.966 3.966 4.352 -0.386 17606 6067 1 16 . 1 1 8 8 THR C C 8 175.108 175.108 176.092 -0.984 17606 6068 1 16 . 1 1 8 8 THR CA C 8 64.244 64.244 63.574 0.670 17606 6069 1 16 . 1 1 8 8 THR CB C 8 69.071 69.071 69.047 0.024 17606 6070 1 16 . 1 1 8 8 THR H H 8 8.124 8.124 7.592 0.532 17606 6071 1 16 . 1 1 9 9 GLY N N 9 113.810 113.810 115.773 -1.963 17606 6072 1 16 . 1 1 9 9 GLY C C 9 174.510 174.510 174.785 -0.275 17606 6073 1 16 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.902 0.110 17606 6074 1 16 . 1 1 9 9 GLY H H 9 9.095 9.095 8.448 0.647 17606 6075 1 16 . 1 1 10 10 THR N N 10 116.938 116.938 120.242 -3.304 17606 6076 1 16 . 1 1 10 10 THR HA H 10 4.179 4.179 4.263 -0.084 17606 6077 1 16 . 1 1 10 10 THR C C 10 173.450 173.450 173.501 -0.051 17606 6078 1 16 . 1 1 10 10 THR CA C 10 64.192 64.192 63.856 0.336 17606 6079 1 16 . 1 1 10 10 THR CB C 10 70.093 70.093 69.476 0.617 17606 6080 1 16 . 1 1 10 10 THR H H 10 8.002 8.002 7.659 0.343 17606 6081 1 16 . 1 1 11 11 LYS N N 11 127.263 127.263 127.259 0.004 17606 6082 1 16 . 1 1 11 11 LYS HA H 11 4.826 4.826 5.129 -0.303 17606 6083 1 16 . 1 1 11 11 LYS C C 11 176.157 176.157 175.494 0.663 17606 6084 1 16 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.122 1.619 17606 6085 1 16 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.296 -0.741 17606 6086 1 16 . 1 1 11 11 LYS H H 11 8.514 8.514 8.328 0.186 17606 6087 1 16 . 1 1 12 12 VAL N N 12 116.892 116.892 118.438 -1.546 17606 6088 1 16 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.534 0.056 17606 6089 1 16 . 1 1 12 12 VAL C C 12 174.476 174.476 174.194 0.282 17606 6090 1 16 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.332 -0.120 17606 6091 1 16 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.869 -0.325 17606 6092 1 16 . 1 1 12 12 VAL H H 12 8.738 8.738 9.147 -0.409 17606 6093 1 16 . 1 1 13 13 LYS N N 13 118.427 118.427 119.836 -1.409 17606 6094 1 16 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.187 -0.064 17606 6095 1 16 . 1 1 13 13 LYS C C 13 174.853 174.853 175.281 -0.428 17606 6096 1 16 . 1 1 13 13 LYS CA C 13 54.983 54.983 55.209 -0.226 17606 6097 1 16 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.993 0.794 17606 6098 1 16 . 1 1 13 13 LYS H H 13 7.677 7.677 7.784 -0.107 17606 6099 1 16 . 1 1 14 14 VAL N N 14 120.913 120.913 122.142 -1.229 17606 6100 1 16 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.959 -0.133 17606 6101 1 16 . 1 1 14 14 VAL C C 14 175.645 175.645 174.381 1.264 17606 6102 1 16 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.101 0.290 17606 6103 1 16 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.026 1.001 17606 6104 1 16 . 1 1 14 14 VAL H H 14 9.178 9.178 9.242 -0.064 17606 6105 1 16 . 1 1 15 15 LYS N N 15 125.862 125.862 128.103 -2.241 17606 6106 1 16 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.762 -0.180 17606 6107 1 16 . 1 1 15 15 LYS C C 15 175.430 175.430 174.331 1.099 17606 6108 1 16 . 1 1 15 15 LYS CA C 15 56.691 56.691 54.970 1.721 17606 6109 1 16 . 1 1 15 15 LYS CB C 15 33.764 33.764 33.519 0.245 17606 6110 1 16 . 1 1 15 15 LYS H H 15 9.010 9.010 9.067 -0.057 17606 6111 1 16 . 1 1 16 16 TYR N N 16 127.499 127.499 127.157 0.342 17606 6112 1 16 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.714 -0.076 17606 6113 1 16 . 1 1 16 16 TYR C C 16 175.096 175.096 173.612 1.484 17606 6114 1 16 . 1 1 16 16 TYR CA C 16 58.348 58.348 56.719 1.629 17606 6115 1 16 . 1 1 16 16 TYR CB C 16 42.493 42.493 42.243 0.250 17606 6116 1 16 . 1 1 16 16 TYR H H 16 9.305 9.305 8.324 0.981 17606 6117 1 16 . 1 1 17 17 GLY N N 17 115.501 115.501 112.650 2.851 17606 6118 1 16 . 1 1 17 17 GLY C C 17 173.380 173.380 172.098 1.282 17606 6119 1 16 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.435 -1.219 17606 6120 1 16 . 1 1 17 17 GLY H H 17 8.383 8.383 7.734 0.649 17606 6121 1 16 . 1 1 18 18 ARG N N 18 117.847 117.847 119.865 -2.018 17606 6122 1 16 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.731 -0.126 17606 6123 1 16 . 1 1 18 18 ARG C C 18 175.941 175.941 177.049 -1.108 17606 6124 1 16 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.130 1.210 17606 6125 1 16 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.460 2.726 17606 6126 1 16 . 1 1 18 18 ARG H H 18 8.305 8.305 8.879 -0.574 17606 6127 1 16 . 1 1 19 19 GLY N N 19 110.572 110.572 116.655 -6.083 17606 6128 1 16 . 1 1 19 19 GLY C C 19 176.227 176.227 174.526 1.701 17606 6129 1 16 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.770 -0.880 17606 6130 1 16 . 1 1 19 19 GLY H H 19 8.857 8.857 8.880 -0.023 17606 6131 1 16 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.221 -0.037 17606 6132 1 16 . 1 1 20 20 LYS C C 20 177.694 177.694 176.708 0.986 17606 6133 1 16 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.151 1.228 17606 6134 1 16 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.954 -0.461 17606 6135 1 16 . 1 1 20 20 LYS H H 20 6.723 6.723 8.344 -1.621 17606 6136 1 16 . 1 1 21 21 THR N N 21 108.329 108.329 119.432 -11.103 17606 6137 1 16 . 1 1 21 21 THR HA H 21 4.437 4.437 4.405 0.032 17606 6138 1 16 . 1 1 21 21 THR C C 21 173.999 173.999 172.290 1.709 17606 6139 1 16 . 1 1 21 21 THR CA C 21 60.895 60.895 62.854 -1.959 17606 6140 1 16 . 1 1 21 21 THR CB C 21 68.907 68.907 68.294 0.613 17606 6141 1 16 . 1 1 21 21 THR H H 21 7.839 7.839 7.970 -0.131 17606 6142 1 16 . 1 1 22 22 GLN N N 22 123.126 123.126 125.414 -2.288 17606 6143 1 16 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.854 -0.424 17606 6144 1 16 . 1 1 22 22 GLN C C 22 175.190 175.190 174.168 1.022 17606 6145 1 16 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.538 2.257 17606 6146 1 16 . 1 1 22 22 GLN CB C 22 31.031 31.031 31.724 -0.693 17606 6147 1 16 . 1 1 22 22 GLN H H 22 7.503 7.503 7.967 -0.464 17606 6148 1 16 . 1 1 23 23 LYS N N 23 126.763 126.763 124.224 2.539 17606 6149 1 16 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.445 0.092 17606 6150 1 16 . 1 1 23 23 LYS C C 23 174.087 174.087 174.202 -0.115 17606 6151 1 16 . 1 1 23 23 LYS CA C 23 54.444 54.444 52.938 1.506 17606 6152 1 16 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.450 1.044 17606 6153 1 16 . 1 1 23 23 LYS H H 23 8.937 8.937 8.386 0.551 17606 6154 1 16 . 1 1 24 24 ILE N N 24 120.287 120.287 121.023 -0.736 17606 6155 1 16 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.700 0.050 17606 6156 1 16 . 1 1 24 24 ILE C C 24 175.772 175.772 175.765 0.007 17606 6157 1 16 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.459 0.461 17606 6158 1 16 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.311 0.943 17606 6159 1 16 . 1 1 24 24 ILE H H 24 7.980 7.980 8.101 -0.121 17606 6160 1 16 . 1 1 25 25 TYR N N 25 126.020 126.020 127.615 -1.595 17606 6161 1 16 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.255 0.816 17606 6162 1 16 . 1 1 25 25 TYR C C 25 175.859 175.859 175.012 0.847 17606 6163 1 16 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.346 0.514 17606 6164 1 16 . 1 1 25 25 TYR CB C 25 42.467 42.467 41.041 1.426 17606 6165 1 16 . 1 1 25 25 TYR H H 25 8.885 8.885 8.929 -0.044 17606 6166 1 16 . 1 1 26 26 GLU N N 26 121.186 121.186 119.905 1.281 17606 6167 1 16 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.295 -0.653 17606 6168 1 16 . 1 1 26 26 GLU C C 26 176.001 176.001 175.982 0.019 17606 6169 1 16 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.500 1.628 17606 6170 1 16 . 1 1 26 26 GLU CB C 26 30.723 30.723 30.845 -0.122 17606 6171 1 16 . 1 1 26 26 GLU H H 26 8.915 8.915 8.923 -0.008 17606 6172 1 16 . 1 1 27 27 ALA N N 27 125.281 125.281 128.031 -2.750 17606 6173 1 16 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.330 -0.360 17606 6174 1 16 . 1 1 27 27 ALA C C 27 175.178 175.178 175.557 -0.379 17606 6175 1 16 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.260 1.055 17606 6176 1 16 . 1 1 27 27 ALA CB C 27 24.655 24.655 23.056 1.599 17606 6177 1 16 . 1 1 27 27 ALA H H 27 8.834 8.834 9.296 -0.462 17606 6178 1 16 . 1 1 28 28 SER N N 28 112.133 112.133 114.491 -2.358 17606 6179 1 16 . 1 1 28 28 SER HA H 28 5.328 5.328 5.474 -0.146 17606 6180 1 16 . 1 1 28 28 SER C C 28 174.404 174.404 174.064 0.340 17606 6181 1 16 . 1 1 28 28 SER CA C 28 56.133 56.133 55.987 0.146 17606 6182 1 16 . 1 1 28 28 SER CB C 28 66.075 66.075 65.030 1.045 17606 6183 1 16 . 1 1 28 28 SER H H 28 8.529 8.529 8.729 -0.200 17606 6184 1 16 . 1 1 29 29 ILE N N 29 122.044 122.044 125.107 -3.063 17606 6185 1 16 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.104 0.038 17606 6186 1 16 . 1 1 29 29 ILE C C 29 176.473 176.473 175.965 0.508 17606 6187 1 16 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.493 1.068 17606 6188 1 16 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.751 1.273 17606 6189 1 16 . 1 1 29 29 ILE H H 29 8.431 8.431 8.484 -0.053 17606 6190 1 16 . 1 1 30 30 LYS N N 30 128.795 128.795 128.885 -0.090 17606 6191 1 16 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.277 0.133 17606 6192 1 16 . 1 1 30 30 LYS C C 30 176.559 176.559 176.123 0.436 17606 6193 1 16 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.161 0.848 17606 6194 1 16 . 1 1 30 30 LYS CB C 30 33.881 33.881 33.996 -0.115 17606 6195 1 16 . 1 1 30 30 LYS H H 30 9.687 9.687 9.042 0.645 17606 6196 1 16 . 1 1 31 31 SER N N 31 111.044 111.044 111.793 -0.749 17606 6197 1 16 . 1 1 31 31 SER HA H 31 4.671 4.671 4.688 -0.017 17606 6198 1 16 . 1 1 31 31 SER C C 31 172.457 172.457 172.317 0.140 17606 6199 1 16 . 1 1 31 31 SER CA C 31 57.353 57.353 57.392 -0.039 17606 6200 1 16 . 1 1 31 31 SER CB C 31 64.824 64.824 66.907 -2.083 17606 6201 1 16 . 1 1 31 31 SER H H 31 7.537 7.537 7.615 -0.078 17606 6202 1 16 . 1 1 32 32 THR N N 32 113.911 113.911 116.287 -2.376 17606 6203 1 16 . 1 1 32 32 THR HA H 32 5.564 5.564 4.960 0.604 17606 6204 1 16 . 1 1 32 32 THR C C 32 173.003 173.003 172.849 0.154 17606 6205 1 16 . 1 1 32 32 THR CA C 32 60.589 60.589 61.324 -0.735 17606 6206 1 16 . 1 1 32 32 THR CB C 32 72.217 72.217 71.666 0.551 17606 6207 1 16 . 1 1 32 32 THR H H 32 8.237 8.237 8.434 -0.197 17606 6208 1 16 . 1 1 33 33 GLU N N 33 123.514 123.514 122.392 1.122 17606 6209 1 16 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.822 -0.194 17606 6210 1 16 . 1 1 33 33 GLU C C 33 173.487 173.487 174.288 -0.801 17606 6211 1 16 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.852 0.604 17606 6212 1 16 . 1 1 33 33 GLU CB C 33 34.099 34.099 35.317 -1.218 17606 6213 1 16 . 1 1 33 33 GLU H H 33 8.970 8.970 9.146 -0.176 17606 6214 1 16 . 1 1 34 34 ILE N N 34 122.095 122.095 121.430 0.665 17606 6215 1 16 . 1 1 34 34 ILE HA H 34 4.735 4.735 5.033 -0.298 17606 6216 1 16 . 1 1 34 34 ILE C C 34 175.620 175.620 175.441 0.179 17606 6217 1 16 . 1 1 34 34 ILE CA C 34 60.047 60.047 59.893 0.154 17606 6218 1 16 . 1 1 34 34 ILE CB C 34 38.657 38.657 40.246 -1.589 17606 6219 1 16 . 1 1 34 34 ILE H H 34 8.505 8.505 8.435 0.070 17606 6220 1 16 . 1 1 35 35 ASP N N 35 127.840 127.840 127.131 0.709 17606 6221 1 16 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.860 -0.087 17606 6222 1 16 . 1 1 35 35 ASP C C 35 175.804 175.804 175.673 0.131 17606 6223 1 16 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.620 -0.384 17606 6224 1 16 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.485 -1.066 17606 6225 1 16 . 1 1 35 35 ASP H H 35 8.948 8.948 9.169 -0.221 17606 6226 1 16 . 1 1 36 36 ASP N N 36 127.315 127.315 126.504 0.811 17606 6227 1 16 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.303 -0.040 17606 6228 1 16 . 1 1 36 36 ASP C C 36 175.993 175.993 176.017 -0.024 17606 6229 1 16 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.996 0.124 17606 6230 1 16 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.580 -0.921 17606 6231 1 16 . 1 1 36 36 ASP H H 36 9.065 9.065 8.990 0.075 17606 6232 1 16 . 1 1 37 37 GLY N N 37 103.112 103.112 103.252 -0.140 17606 6233 1 16 . 1 1 37 37 GLY C C 37 173.541 173.541 174.035 -0.494 17606 6234 1 16 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.144 0.327 17606 6235 1 16 . 1 1 37 37 GLY H H 37 8.045 8.045 8.383 -0.338 17606 6236 1 16 . 1 1 38 38 GLU N N 38 121.172 121.172 120.070 1.102 17606 6237 1 16 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.710 -0.059 17606 6238 1 16 . 1 1 38 38 GLU C C 38 174.246 174.246 174.812 -0.566 17606 6239 1 16 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.922 -0.203 17606 6240 1 16 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.060 0.145 17606 6241 1 16 . 1 1 38 38 GLU H H 38 7.769 7.769 8.081 -0.312 17606 6242 1 16 . 1 1 39 39 VAL N N 39 123.983 123.983 124.256 -0.273 17606 6243 1 16 . 1 1 39 39 VAL HA H 39 4.210 4.210 5.023 -0.813 17606 6244 1 16 . 1 1 39 39 VAL C C 39 174.546 174.546 174.287 0.259 17606 6245 1 16 . 1 1 39 39 VAL CA C 39 63.041 63.041 60.546 2.495 17606 6246 1 16 . 1 1 39 39 VAL CB C 39 32.269 32.269 33.047 -0.778 17606 6247 1 16 . 1 1 39 39 VAL H H 39 8.455 8.455 8.725 -0.270 17606 6248 1 16 . 1 1 40 40 LEU N N 40 127.105 127.105 129.857 -2.752 17606 6249 1 16 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.498 -0.406 17606 6250 1 16 . 1 1 40 40 LEU C C 40 175.819 175.819 176.179 -0.360 17606 6251 1 16 . 1 1 40 40 LEU CA C 40 53.253 53.253 52.616 0.637 17606 6252 1 16 . 1 1 40 40 LEU CB C 40 46.490 46.490 42.443 4.047 17606 6253 1 16 . 1 1 40 40 LEU H H 40 8.947 8.947 9.272 -0.325 17606 6254 1 16 . 1 1 41 41 TYR N N 41 119.021 119.021 121.779 -2.758 17606 6255 1 16 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.077 0.030 17606 6256 1 16 . 1 1 41 41 TYR C C 41 173.968 173.968 174.682 -0.714 17606 6257 1 16 . 1 1 41 41 TYR CA C 41 56.856 56.856 56.958 -0.102 17606 6258 1 16 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.559 -0.416 17606 6259 1 16 . 1 1 41 41 TYR H H 41 9.337 9.337 9.755 -0.418 17606 6260 1 16 . 1 1 42 42 LEU N N 42 128.770 128.770 123.995 4.775 17606 6261 1 16 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.487 -0.514 17606 6262 1 16 . 1 1 42 42 LEU C C 42 175.491 175.491 174.716 0.775 17606 6263 1 16 . 1 1 42 42 LEU CA C 42 53.367 53.367 53.123 0.244 17606 6264 1 16 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.658 -2.962 17606 6265 1 16 . 1 1 42 42 LEU H H 42 8.304 8.304 8.941 -0.637 17606 6266 1 16 . 1 1 43 43 VAL N N 43 121.269 121.269 119.557 1.712 17606 6267 1 16 . 1 1 43 43 VAL HA H 43 4.980 4.980 5.064 -0.084 17606 6268 1 16 . 1 1 43 43 VAL C C 43 173.257 173.257 173.665 -0.408 17606 6269 1 16 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.757 -0.446 17606 6270 1 16 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.341 -1.287 17606 6271 1 16 . 1 1 43 43 VAL H H 43 8.847 8.847 9.050 -0.203 17606 6272 1 16 . 1 1 44 44 HIS N N 44 118.126 118.126 118.473 -0.347 17606 6273 1 16 . 1 1 44 44 HIS C C 44 174.272 174.272 173.748 0.524 17606 6274 1 16 . 1 1 44 44 HIS CA C 44 53.319 53.319 53.074 0.245 17606 6275 1 16 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.504 -1.488 17606 6276 1 16 . 1 1 44 44 HIS H H 44 8.286 8.286 8.632 -0.346 17606 6277 1 16 . 1 1 45 45 TYR N N 45 127.711 127.711 124.369 3.342 17606 6278 1 16 . 1 1 45 45 TYR HA H 45 4.099 4.099 5.032 -0.933 17606 6279 1 16 . 1 1 45 45 TYR C C 45 175.343 175.343 176.972 -1.629 17606 6280 1 16 . 1 1 45 45 TYR CA C 45 58.240 58.240 56.632 1.608 17606 6281 1 16 . 1 1 45 45 TYR CB C 45 37.500 37.500 36.548 0.952 17606 6282 1 16 . 1 1 45 45 TYR H H 45 8.013 8.013 8.053 -0.040 17606 6283 1 16 . 1 1 46 46 TYR N N 46 121.373 121.373 123.692 -2.319 17606 6284 1 16 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.295 -0.081 17606 6285 1 16 . 1 1 46 46 TYR CA C 46 58.945 58.945 59.680 -0.735 17606 6286 1 16 . 1 1 46 46 TYR CB C 46 38.400 38.400 37.633 0.767 17606 6287 1 16 . 1 1 46 46 TYR H H 46 7.842 7.842 8.323 -0.481 17606 6288 1 16 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.648 0.499 17606 6289 1 16 . 1 1 48 48 TRP N N 48 121.413 121.413 120.991 0.422 17606 6290 1 16 . 1 1 48 48 TRP CA C 48 55.966 55.966 57.780 -1.814 17606 6291 1 16 . 1 1 48 48 TRP CB C 48 30.399 30.399 31.376 -0.977 17606 6292 1 16 . 1 1 48 48 TRP H H 48 8.105 8.105 7.700 0.405 17606 6293 1 16 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.058 0.116 17606 6294 1 16 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.485 -0.602 17606 6295 1 16 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.461 -0.236 17606 6296 1 16 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.108 0.010 17606 6297 1 16 . 1 1 51 51 ARG C C 51 176.010 176.010 176.829 -0.819 17606 6298 1 16 . 1 1 51 51 ARG CA C 51 57.004 57.004 57.992 -0.988 17606 6299 1 16 . 1 1 51 51 ARG CB C 51 29.934 29.934 29.997 -0.063 17606 6300 1 16 . 1 1 52 52 TYR N N 52 119.263 119.263 117.974 1.289 17606 6301 1 16 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.492 0.144 17606 6302 1 16 . 1 1 52 52 TYR CA C 52 58.000 58.000 58.377 -0.377 17606 6303 1 16 . 1 1 52 52 TYR CB C 52 38.804 38.804 39.357 -0.553 17606 6304 1 16 . 1 1 52 52 TYR H H 52 7.860 7.860 7.628 0.232 17606 6305 1 16 . 1 1 53 53 ASP N N 53 122.103 122.103 118.268 3.835 17606 6306 1 16 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.430 0.547 17606 6307 1 16 . 1 1 53 53 ASP CA C 53 55.272 55.272 55.425 -0.153 17606 6308 1 16 . 1 1 53 53 ASP CB C 53 40.304 40.304 40.618 -0.314 17606 6309 1 16 . 1 1 53 53 ASP H H 53 8.014 8.014 8.247 -0.233 17606 6310 1 16 . 1 1 54 54 GLU N N 54 119.733 119.733 122.649 -2.916 17606 6311 1 16 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.727 0.046 17606 6312 1 16 . 1 1 54 54 GLU C C 54 174.099 174.099 174.873 -0.774 17606 6313 1 16 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.185 0.692 17606 6314 1 16 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.303 0.828 17606 6315 1 16 . 1 1 54 54 GLU H H 54 8.018 8.018 8.634 -0.616 17606 6316 1 16 . 1 1 55 55 TRP N N 55 124.675 124.675 122.963 1.712 17606 6317 1 16 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.713 -0.469 17606 6318 1 16 . 1 1 55 55 TRP C C 55 177.088 177.088 176.780 0.308 17606 6319 1 16 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.529 -0.140 17606 6320 1 16 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.609 -1.196 17606 6321 1 16 . 1 1 55 55 TRP H H 55 8.760 8.760 8.485 0.275 17606 6322 1 16 . 1 1 56 56 VAL N N 56 119.873 119.873 117.106 2.767 17606 6323 1 16 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.890 0.034 17606 6324 1 16 . 1 1 56 56 VAL C C 56 174.866 174.866 174.145 0.721 17606 6325 1 16 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.820 0.148 17606 6326 1 16 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.104 0.757 17606 6327 1 16 . 1 1 56 56 VAL H H 56 10.006 10.006 9.187 0.819 17606 6328 1 16 . 1 1 57 57 LYS N N 57 120.466 120.466 120.192 0.274 17606 6329 1 16 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.532 -0.667 17606 6330 1 16 . 1 1 57 57 LYS C C 57 178.120 178.120 178.300 -0.180 17606 6331 1 16 . 1 1 57 57 LYS CA C 57 56.441 56.441 54.957 1.484 17606 6332 1 16 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.798 -0.614 17606 6333 1 16 . 1 1 57 57 LYS H H 57 8.361 8.361 8.393 -0.032 17606 6334 1 16 . 1 1 58 58 ALA N N 58 120.318 120.318 123.780 -3.462 17606 6335 1 16 . 1 1 58 58 ALA HA H 58 4.154 4.154 3.966 0.188 17606 6336 1 16 . 1 1 58 58 ALA C C 58 179.508 179.508 179.095 0.413 17606 6337 1 16 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.885 -0.196 17606 6338 1 16 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.620 0.854 17606 6339 1 16 . 1 1 58 58 ALA H H 58 9.064 9.064 8.722 0.342 17606 6340 1 16 . 1 1 59 59 ASP N N 59 113.824 113.824 115.950 -2.126 17606 6341 1 16 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.416 0.121 17606 6342 1 16 . 1 1 59 59 ASP C C 59 177.499 177.499 176.840 0.659 17606 6343 1 16 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.147 -0.494 17606 6344 1 16 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.753 -1.019 17606 6345 1 16 . 1 1 59 59 ASP H H 59 8.256 8.256 8.876 -0.620 17606 6346 1 16 . 1 1 60 60 ARG N N 60 118.041 118.041 115.410 2.631 17606 6347 1 16 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.383 -0.092 17606 6348 1 16 . 1 1 60 60 ARG C C 60 174.918 174.918 175.826 -0.908 17606 6349 1 16 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.183 1.961 17606 6350 1 16 . 1 1 60 60 ARG CB C 60 31.009 31.009 29.747 1.262 17606 6351 1 16 . 1 1 60 60 ARG H H 60 7.931 7.931 7.624 0.307 17606 6352 1 16 . 1 1 61 61 ILE N N 61 118.787 118.787 120.312 -1.525 17606 6353 1 16 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.542 -0.425 17606 6354 1 16 . 1 1 61 61 ILE C C 61 175.243 175.243 175.369 -0.126 17606 6355 1 16 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.157 0.256 17606 6356 1 16 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.242 -1.814 17606 6357 1 16 . 1 1 61 61 ILE H H 61 7.463 7.463 7.566 -0.103 17606 6358 1 16 . 1 1 62 62 ILE N N 62 127.975 127.975 125.767 2.208 17606 6359 1 16 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.285 -0.129 17606 6360 1 16 . 1 1 62 62 ILE C C 62 175.867 175.867 174.916 0.951 17606 6361 1 16 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.900 0.536 17606 6362 1 16 . 1 1 62 62 ILE CB C 62 38.319 38.319 37.941 0.378 17606 6363 1 16 . 1 1 62 62 ILE H H 62 8.773 8.773 8.724 0.049 17606 6364 1 16 . 1 1 63 63 TRP N N 63 131.233 131.233 129.210 2.023 17606 6365 1 16 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.882 -0.320 17606 6366 1 16 . 1 1 63 63 TRP C C 63 174.859 174.859 174.595 0.264 17606 6367 1 16 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.328 0.214 17606 6368 1 16 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.192 -0.532 17606 6369 1 16 . 1 1 63 63 TRP H H 63 8.506 8.506 8.280 0.226 17606 6370 1 16 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.514 0.035 17606 6371 1 16 . 1 1 64 64 PRO C C 64 176.966 176.966 175.601 1.365 17606 6372 1 16 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.571 -0.440 17606 6373 1 16 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.754 0.271 17606 6374 1 16 . 1 1 65 65 LEU N N 65 121.886 121.886 126.040 -4.154 17606 6375 1 16 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.660 -0.327 17606 6376 1 16 . 1 1 65 65 LEU C C 65 177.243 177.243 175.316 1.927 17606 6377 1 16 . 1 1 65 65 LEU CA C 65 55.492 55.492 53.762 1.730 17606 6378 1 16 . 1 1 65 65 LEU CB C 65 42.370 42.370 46.172 -3.802 17606 6379 1 16 . 1 1 65 65 LEU H H 65 8.426 8.426 8.002 0.424 17606 6380 1 16 . 1 1 66 66 ASP N N 66 120.509 120.509 122.425 -1.916 17606 6381 1 16 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.686 -0.108 17606 6382 1 16 . 1 1 66 66 ASP C C 66 176.402 176.402 176.155 0.247 17606 6383 1 16 . 1 1 66 66 ASP CA C 66 54.249 54.249 54.853 -0.605 17606 6384 1 16 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.777 0.379 17606 6385 1 16 . 1 1 66 66 ASP H H 66 8.348 8.348 8.621 -0.273 17606 6386 1 16 . 1 1 67 67 LYS N N 67 121.925 121.925 125.634 -3.709 17606 6387 1 16 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.418 -0.140 17606 6388 1 16 . 1 1 67 67 LYS C C 67 177.158 177.158 176.567 0.591 17606 6389 1 16 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.491 1.108 17606 6390 1 16 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.584 0.169 17606 6391 1 16 . 1 1 67 67 LYS H H 67 8.327 8.327 8.466 -0.139 17606 6392 1 16 . 1 1 68 68 GLY N N 68 109.417 109.417 108.263 1.154 17606 6393 1 16 . 1 1 68 68 GLY C C 68 174.413 174.413 173.654 0.759 17606 6394 1 16 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.669 0.954 17606 6395 1 16 . 1 1 68 68 GLY H H 68 8.558 8.558 7.914 0.644 17606 6396 1 16 . 1 1 69 69 LEU N N 69 120.937 120.937 121.572 -0.635 17606 6397 1 16 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.442 -0.187 17606 6398 1 16 . 1 1 69 69 LEU C C 69 177.559 177.559 177.629 -0.070 17606 6399 1 16 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.789 0.537 17606 6400 1 16 . 1 1 69 69 LEU CB C 69 42.169 42.169 43.115 -0.947 17606 6401 1 16 . 1 1 69 69 LEU H H 69 7.972 7.972 9.056 -1.084 17606 6402 1 16 . 1 1 70 70 GLU N N 70 120.764 120.764 120.906 -0.142 17606 6403 1 16 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.388 -0.262 17606 6404 1 16 . 1 1 70 70 GLU C C 70 176.435 176.435 175.797 0.638 17606 6405 1 16 . 1 1 70 70 GLU CA C 70 57.150 57.150 55.919 1.231 17606 6406 1 16 . 1 1 70 70 GLU CB C 70 29.859 29.859 29.073 0.786 17606 6407 1 16 . 1 1 70 70 GLU H H 70 8.443 8.443 8.573 -0.130 17606 6408 1 16 . 1 1 71 71 HIS N N 71 119.554 119.554 126.196 -6.642 17606 6409 1 16 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.739 -0.141 17606 6410 1 16 . 1 1 71 71 HIS C C 71 174.001 174.001 175.177 -1.176 17606 6411 1 16 . 1 1 71 71 HIS CA C 71 56.078 56.078 56.040 0.038 17606 6412 1 16 . 1 1 71 71 HIS CB C 71 30.551 30.551 29.776 0.775 17606 6413 1 16 . 1 1 71 71 HIS H H 71 8.223 8.223 8.311 -0.088 17606 6414 1 16 . 1 1 72 72 HIS N N 72 125.509 125.509 125.005 0.504 17606 6415 1 16 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.612 -0.198 17606 6416 1 16 . 1 1 72 72 HIS C C 72 179.225 179.225 175.782 3.443 17606 6417 1 16 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.812 -0.450 17606 6418 1 16 . 1 1 72 72 HIS CB C 72 30.450 30.450 31.009 -0.559 17606 6419 1 16 . 1 1 72 72 HIS H H 72 8.101 8.101 8.768 -0.667 17606 6420 1 16 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.476 0.068 17606 6421 1 16 . 1 1 73 73 HIS CA C 73 56.078 56.078 57.755 -1.677 17606 6422 1 16 . 1 1 73 73 HIS CB C 73 30.551 30.551 30.314 0.237 17606 6423 1 16 . 1 1 74 74 HIS N N 74 120.202 120.202 118.017 2.185 17606 6424 1 16 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.618 -0.416 17606 6425 1 16 . 1 1 74 74 HIS CA C 74 56.035 56.035 54.392 1.643 17606 6426 1 16 . 1 1 74 74 HIS CB C 74 30.232 30.232 28.981 1.251 17606 6427 1 16 . 1 1 74 74 HIS H H 74 8.189 8.189 8.287 -0.098 17606 6428 1 16 . 1 1 75 75 HIS N N 75 120.367 120.367 123.688 -3.321 17606 6429 1 16 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.573 -0.150 17606 6430 1 16 . 1 1 75 75 HIS CA C 75 55.515 55.515 57.516 -2.001 17606 6431 1 16 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.522 2.746 17606 6432 1 16 . 1 1 75 75 HIS H H 75 8.258 8.258 8.212 0.046 17606 6433 1 17 . 1 1 2 2 ASP N N 2 121.539 121.539 118.987 2.552 17606 6434 1 17 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.877 -0.322 17606 6435 1 17 . 1 1 2 2 ASP C C 2 176.030 176.030 176.137 -0.107 17606 6436 1 17 . 1 1 2 2 ASP CA C 2 54.553 54.553 53.410 1.143 17606 6437 1 17 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.991 -0.687 17606 6438 1 17 . 1 1 2 2 ASP H H 2 8.515 8.515 8.270 0.245 17606 6439 1 17 . 1 1 3 3 MET N N 3 120.469 120.469 117.130 3.339 17606 6440 1 17 . 1 1 3 3 MET HA H 3 4.472 4.472 4.442 0.030 17606 6441 1 17 . 1 1 3 3 MET C C 3 176.040 176.040 175.782 0.258 17606 6442 1 17 . 1 1 3 3 MET CA C 3 55.373 55.373 56.547 -1.174 17606 6443 1 17 . 1 1 3 3 MET CB C 3 33.196 33.196 32.975 0.221 17606 6444 1 17 . 1 1 3 3 MET H H 3 8.340 8.340 8.286 0.054 17606 6445 1 17 . 1 1 4 4 GLU N N 4 123.512 123.512 126.248 -2.736 17606 6446 1 17 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.663 -0.125 17606 6447 1 17 . 1 1 4 4 GLU C C 4 174.592 174.592 175.215 -0.623 17606 6448 1 17 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.560 0.994 17606 6449 1 17 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.402 -0.756 17606 6450 1 17 . 1 1 4 4 GLU H H 4 8.424 8.424 8.365 0.059 17606 6451 1 17 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.384 0.018 17606 6452 1 17 . 1 1 5 5 PRO C C 5 176.669 176.669 175.860 0.809 17606 6453 1 17 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.362 0.129 17606 6454 1 17 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.111 0.890 17606 6455 1 17 . 1 1 6 6 CYS N N 6 119.970 119.970 122.482 -2.512 17606 6456 1 17 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.767 -0.245 17606 6457 1 17 . 1 1 6 6 CYS C C 6 175.020 175.020 175.020 0.000 17606 6458 1 17 . 1 1 6 6 CYS CA C 6 58.662 58.662 57.648 1.014 17606 6459 1 17 . 1 1 6 6 CYS CB C 6 27.638 27.638 30.258 -2.619 17606 6460 1 17 . 1 1 6 6 CYS H H 6 8.539 8.539 8.261 0.278 17606 6461 1 17 . 1 1 7 7 LEU N N 7 125.146 125.146 122.451 2.695 17606 6462 1 17 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.605 -0.172 17606 6463 1 17 . 1 1 7 7 LEU C C 7 178.244 178.244 176.532 1.712 17606 6464 1 17 . 1 1 7 7 LEU CA C 7 55.361 55.361 54.237 1.123 17606 6465 1 17 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.778 1.909 17606 6466 1 17 . 1 1 7 7 LEU H H 7 8.649 8.649 9.019 -0.370 17606 6467 1 17 . 1 1 8 8 THR N N 8 116.760 116.760 114.935 1.825 17606 6468 1 17 . 1 1 8 8 THR HA H 8 3.966 3.966 4.137 -0.171 17606 6469 1 17 . 1 1 8 8 THR C C 8 175.108 175.108 176.077 -0.969 17606 6470 1 17 . 1 1 8 8 THR CA C 8 64.244 64.244 64.118 0.126 17606 6471 1 17 . 1 1 8 8 THR CB C 8 69.071 69.071 68.853 0.218 17606 6472 1 17 . 1 1 8 8 THR H H 8 8.124 8.124 7.613 0.511 17606 6473 1 17 . 1 1 9 9 GLY N N 9 113.810 113.810 115.226 -1.416 17606 6474 1 17 . 1 1 9 9 GLY C C 9 174.510 174.510 174.589 -0.079 17606 6475 1 17 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.954 0.058 17606 6476 1 17 . 1 1 9 9 GLY H H 9 9.095 9.095 8.743 0.352 17606 6477 1 17 . 1 1 10 10 THR N N 10 116.938 116.938 120.304 -3.366 17606 6478 1 17 . 1 1 10 10 THR HA H 10 4.179 4.179 4.381 -0.202 17606 6479 1 17 . 1 1 10 10 THR C C 10 173.450 173.450 173.199 0.251 17606 6480 1 17 . 1 1 10 10 THR CA C 10 64.192 64.192 62.962 1.230 17606 6481 1 17 . 1 1 10 10 THR CB C 10 70.093 70.093 69.658 0.435 17606 6482 1 17 . 1 1 10 10 THR H H 10 8.002 8.002 7.589 0.413 17606 6483 1 17 . 1 1 11 11 LYS N N 11 127.263 127.263 127.140 0.123 17606 6484 1 17 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.972 -0.146 17606 6485 1 17 . 1 1 11 11 LYS C C 11 176.157 176.157 175.322 0.835 17606 6486 1 17 . 1 1 11 11 LYS CA C 11 56.741 56.741 54.857 1.884 17606 6487 1 17 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.712 -0.157 17606 6488 1 17 . 1 1 11 11 LYS H H 11 8.514 8.514 8.461 0.053 17606 6489 1 17 . 1 1 12 12 VAL N N 12 116.892 116.892 118.563 -1.671 17606 6490 1 17 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.460 0.130 17606 6491 1 17 . 1 1 12 12 VAL C C 12 174.476 174.476 174.240 0.236 17606 6492 1 17 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.962 0.249 17606 6493 1 17 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.458 0.086 17606 6494 1 17 . 1 1 12 12 VAL H H 12 8.738 8.738 9.040 -0.302 17606 6495 1 17 . 1 1 13 13 LYS N N 13 118.427 118.427 119.713 -1.286 17606 6496 1 17 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.242 -0.119 17606 6497 1 17 . 1 1 13 13 LYS C C 13 174.853 174.853 175.625 -0.772 17606 6498 1 17 . 1 1 13 13 LYS CA C 13 54.983 54.983 55.163 -0.180 17606 6499 1 17 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.954 0.833 17606 6500 1 17 . 1 1 13 13 LYS H H 13 7.677 7.677 7.715 -0.038 17606 6501 1 17 . 1 1 14 14 VAL N N 14 120.913 120.913 123.590 -2.677 17606 6502 1 17 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.746 0.080 17606 6503 1 17 . 1 1 14 14 VAL C C 14 175.645 175.645 174.460 1.185 17606 6504 1 17 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.857 -0.466 17606 6505 1 17 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.902 1.125 17606 6506 1 17 . 1 1 14 14 VAL H H 14 9.178 9.178 9.298 -0.120 17606 6507 1 17 . 1 1 15 15 LYS N N 15 125.862 125.862 127.495 -1.633 17606 6508 1 17 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.575 0.007 17606 6509 1 17 . 1 1 15 15 LYS C C 15 175.430 175.430 174.481 0.949 17606 6510 1 17 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.213 1.478 17606 6511 1 17 . 1 1 15 15 LYS CB C 15 33.764 33.764 33.933 -0.169 17606 6512 1 17 . 1 1 15 15 LYS H H 15 9.010 9.010 8.975 0.035 17606 6513 1 17 . 1 1 16 16 TYR N N 16 127.499 127.499 128.433 -0.934 17606 6514 1 17 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.664 -0.026 17606 6515 1 17 . 1 1 16 16 TYR C C 16 175.096 175.096 173.874 1.222 17606 6516 1 17 . 1 1 16 16 TYR CA C 16 58.348 58.348 56.425 1.923 17606 6517 1 17 . 1 1 16 16 TYR CB C 16 42.493 42.493 40.690 1.803 17606 6518 1 17 . 1 1 16 16 TYR H H 16 9.305 9.305 8.904 0.401 17606 6519 1 17 . 1 1 17 17 GLY N N 17 115.501 115.501 115.200 0.301 17606 6520 1 17 . 1 1 17 17 GLY C C 17 173.380 173.380 172.042 1.338 17606 6521 1 17 . 1 1 17 17 GLY CA C 17 44.216 44.216 44.349 -0.133 17606 6522 1 17 . 1 1 17 17 GLY H H 17 8.383 8.383 8.404 -0.021 17606 6523 1 17 . 1 1 18 18 ARG N N 18 117.847 117.847 127.001 -9.154 17606 6524 1 17 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.666 -0.061 17606 6525 1 17 . 1 1 18 18 ARG C C 18 175.941 175.941 176.549 -0.608 17606 6526 1 17 . 1 1 18 18 ARG CA C 18 55.340 55.340 55.085 0.255 17606 6527 1 17 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.948 1.238 17606 6528 1 17 . 1 1 18 18 ARG H H 18 8.305 8.305 8.815 -0.510 17606 6529 1 17 . 1 1 19 19 GLY N N 19 110.572 110.572 116.613 -6.041 17606 6530 1 17 . 1 1 19 19 GLY C C 19 176.227 176.227 174.965 1.262 17606 6531 1 17 . 1 1 19 19 GLY CA C 19 45.890 45.890 47.156 -1.266 17606 6532 1 17 . 1 1 19 19 GLY H H 19 8.857 8.857 8.736 0.121 17606 6533 1 17 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.418 -0.234 17606 6534 1 17 . 1 1 20 20 LYS C C 20 177.694 177.694 177.064 0.630 17606 6535 1 17 . 1 1 20 20 LYS CA C 20 58.379 58.379 56.577 1.802 17606 6536 1 17 . 1 1 20 20 LYS CB C 20 32.493 32.493 33.497 -1.004 17606 6537 1 17 . 1 1 20 20 LYS H H 20 6.723 6.723 8.479 -1.756 17606 6538 1 17 . 1 1 21 21 THR N N 21 108.329 108.329 118.493 -10.164 17606 6539 1 17 . 1 1 21 21 THR HA H 21 4.437 4.437 4.415 0.022 17606 6540 1 17 . 1 1 21 21 THR C C 21 173.999 173.999 172.816 1.183 17606 6541 1 17 . 1 1 21 21 THR CA C 21 60.895 60.895 62.222 -1.327 17606 6542 1 17 . 1 1 21 21 THR CB C 21 68.907 68.907 67.857 1.050 17606 6543 1 17 . 1 1 21 21 THR H H 21 7.839 7.839 7.946 -0.107 17606 6544 1 17 . 1 1 22 22 GLN N N 22 123.126 123.126 129.529 -6.403 17606 6545 1 17 . 1 1 22 22 GLN HA H 22 4.430 4.430 5.626 -1.196 17606 6546 1 17 . 1 1 22 22 GLN C C 22 175.190 175.190 174.613 0.577 17606 6547 1 17 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.267 2.529 17606 6548 1 17 . 1 1 22 22 GLN CB C 22 31.031 31.031 31.217 -0.186 17606 6549 1 17 . 1 1 22 22 GLN H H 22 7.503 7.503 7.954 -0.451 17606 6550 1 17 . 1 1 23 23 LYS N N 23 126.763 126.763 125.446 1.317 17606 6551 1 17 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.617 -0.080 17606 6552 1 17 . 1 1 23 23 LYS C C 23 174.087 174.087 174.107 -0.020 17606 6553 1 17 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.722 -0.278 17606 6554 1 17 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.069 1.426 17606 6555 1 17 . 1 1 23 23 LYS H H 23 8.937 8.937 9.112 -0.175 17606 6556 1 17 . 1 1 24 24 ILE N N 24 120.287 120.287 124.072 -3.785 17606 6557 1 17 . 1 1 24 24 ILE HA H 24 4.750 4.750 5.175 -0.425 17606 6558 1 17 . 1 1 24 24 ILE C C 24 175.772 175.772 176.003 -0.231 17606 6559 1 17 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.569 0.351 17606 6560 1 17 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.236 0.018 17606 6561 1 17 . 1 1 24 24 ILE H H 24 7.980 7.980 8.391 -0.411 17606 6562 1 17 . 1 1 25 25 TYR N N 25 126.020 126.020 125.552 0.468 17606 6563 1 17 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.069 0.002 17606 6564 1 17 . 1 1 25 25 TYR C C 25 175.859 175.859 173.749 2.110 17606 6565 1 17 . 1 1 25 25 TYR CA C 25 55.860 55.860 54.361 1.499 17606 6566 1 17 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.037 2.430 17606 6567 1 17 . 1 1 25 25 TYR H H 25 8.885 8.885 9.083 -0.198 17606 6568 1 17 . 1 1 26 26 GLU N N 26 121.186 121.186 120.693 0.493 17606 6569 1 17 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.426 -0.784 17606 6570 1 17 . 1 1 26 26 GLU C C 26 176.001 176.001 175.519 0.482 17606 6571 1 17 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.186 1.942 17606 6572 1 17 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.089 -0.366 17606 6573 1 17 . 1 1 26 26 GLU H H 26 8.915 8.915 8.862 0.053 17606 6574 1 17 . 1 1 27 27 ALA N N 27 125.281 125.281 128.455 -3.174 17606 6575 1 17 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.575 0.395 17606 6576 1 17 . 1 1 27 27 ALA C C 27 175.178 175.178 175.149 0.029 17606 6577 1 17 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.088 1.227 17606 6578 1 17 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.572 2.083 17606 6579 1 17 . 1 1 27 27 ALA H H 27 8.834 8.834 9.027 -0.193 17606 6580 1 17 . 1 1 28 28 SER N N 28 112.133 112.133 115.340 -3.207 17606 6581 1 17 . 1 1 28 28 SER HA H 28 5.328 5.328 5.288 0.040 17606 6582 1 17 . 1 1 28 28 SER C C 28 174.404 174.404 174.134 0.270 17606 6583 1 17 . 1 1 28 28 SER CA C 28 56.133 56.133 56.018 0.115 17606 6584 1 17 . 1 1 28 28 SER CB C 28 66.075 66.075 64.251 1.824 17606 6585 1 17 . 1 1 28 28 SER H H 28 8.529 8.529 8.629 -0.100 17606 6586 1 17 . 1 1 29 29 ILE N N 29 122.044 122.044 125.537 -3.493 17606 6587 1 17 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.978 0.164 17606 6588 1 17 . 1 1 29 29 ILE C C 29 176.473 176.473 175.828 0.645 17606 6589 1 17 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.791 0.770 17606 6590 1 17 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.527 1.497 17606 6591 1 17 . 1 1 29 29 ILE H H 29 8.431 8.431 9.015 -0.584 17606 6592 1 17 . 1 1 30 30 LYS N N 30 128.795 128.795 127.729 1.066 17606 6593 1 17 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.424 -0.014 17606 6594 1 17 . 1 1 30 30 LYS C C 30 176.559 176.559 176.160 0.399 17606 6595 1 17 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.277 0.732 17606 6596 1 17 . 1 1 30 30 LYS CB C 30 33.881 33.881 35.140 -1.259 17606 6597 1 17 . 1 1 30 30 LYS H H 30 9.687 9.687 8.837 0.850 17606 6598 1 17 . 1 1 31 31 SER N N 31 111.044 111.044 113.763 -2.719 17606 6599 1 17 . 1 1 31 31 SER HA H 31 4.671 4.671 4.839 -0.168 17606 6600 1 17 . 1 1 31 31 SER C C 31 172.457 172.457 173.103 -0.646 17606 6601 1 17 . 1 1 31 31 SER CA C 31 57.353 57.353 57.579 -0.226 17606 6602 1 17 . 1 1 31 31 SER CB C 31 64.824 64.824 66.871 -2.047 17606 6603 1 17 . 1 1 31 31 SER H H 31 7.537 7.537 7.654 -0.117 17606 6604 1 17 . 1 1 32 32 THR N N 32 113.911 113.911 115.559 -1.648 17606 6605 1 17 . 1 1 32 32 THR HA H 32 5.564 5.564 5.062 0.502 17606 6606 1 17 . 1 1 32 32 THR C C 32 173.003 173.003 173.064 -0.061 17606 6607 1 17 . 1 1 32 32 THR CA C 32 60.589 60.589 61.452 -0.863 17606 6608 1 17 . 1 1 32 32 THR CB C 32 72.217 72.217 72.448 -0.231 17606 6609 1 17 . 1 1 32 32 THR H H 32 8.237 8.237 8.359 -0.122 17606 6610 1 17 . 1 1 33 33 GLU N N 33 123.514 123.514 120.670 2.844 17606 6611 1 17 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.729 -0.101 17606 6612 1 17 . 1 1 33 33 GLU C C 33 173.487 173.487 173.933 -0.446 17606 6613 1 17 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.795 0.661 17606 6614 1 17 . 1 1 33 33 GLU CB C 33 34.099 34.099 33.198 0.901 17606 6615 1 17 . 1 1 33 33 GLU H H 33 8.970 8.970 9.219 -0.249 17606 6616 1 17 . 1 1 34 34 ILE N N 34 122.095 122.095 121.966 0.129 17606 6617 1 17 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.981 -0.246 17606 6618 1 17 . 1 1 34 34 ILE C C 34 175.620 175.620 174.941 0.679 17606 6619 1 17 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.225 -0.178 17606 6620 1 17 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.175 -0.518 17606 6621 1 17 . 1 1 34 34 ILE H H 34 8.505 8.505 8.582 -0.077 17606 6622 1 17 . 1 1 35 35 ASP N N 35 127.840 127.840 127.980 -0.140 17606 6623 1 17 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.799 -0.026 17606 6624 1 17 . 1 1 35 35 ASP C C 35 175.804 175.804 175.773 0.031 17606 6625 1 17 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.386 -0.151 17606 6626 1 17 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.466 -1.047 17606 6627 1 17 . 1 1 35 35 ASP H H 35 8.948 8.948 8.974 -0.026 17606 6628 1 17 . 1 1 36 36 ASP N N 36 127.315 127.315 124.494 2.821 17606 6629 1 17 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.360 -0.097 17606 6630 1 17 . 1 1 36 36 ASP C C 36 175.993 175.993 176.287 -0.294 17606 6631 1 17 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.582 0.538 17606 6632 1 17 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.684 -1.025 17606 6633 1 17 . 1 1 36 36 ASP H H 36 9.065 9.065 8.766 0.299 17606 6634 1 17 . 1 1 37 37 GLY N N 37 103.112 103.112 103.720 -0.608 17606 6635 1 17 . 1 1 37 37 GLY C C 37 173.541 173.541 173.691 -0.150 17606 6636 1 17 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.212 0.259 17606 6637 1 17 . 1 1 37 37 GLY H H 37 8.045 8.045 8.329 -0.284 17606 6638 1 17 . 1 1 38 38 GLU N N 38 121.172 121.172 119.495 1.677 17606 6639 1 17 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.708 -0.057 17606 6640 1 17 . 1 1 38 38 GLU C C 38 174.246 174.246 175.015 -0.769 17606 6641 1 17 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.442 0.277 17606 6642 1 17 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.109 0.096 17606 6643 1 17 . 1 1 38 38 GLU H H 38 7.769 7.769 7.834 -0.065 17606 6644 1 17 . 1 1 39 39 VAL N N 39 123.983 123.983 122.302 1.681 17606 6645 1 17 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.788 -0.578 17606 6646 1 17 . 1 1 39 39 VAL C C 39 174.546 174.546 175.224 -0.678 17606 6647 1 17 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.879 1.163 17606 6648 1 17 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.113 0.156 17606 6649 1 17 . 1 1 39 39 VAL H H 39 8.455 8.455 8.743 -0.288 17606 6650 1 17 . 1 1 40 40 LEU N N 40 127.105 127.105 127.129 -0.024 17606 6651 1 17 . 1 1 40 40 LEU HA H 40 5.092 5.092 4.991 0.101 17606 6652 1 17 . 1 1 40 40 LEU C C 40 175.819 175.819 175.666 0.153 17606 6653 1 17 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.835 -0.582 17606 6654 1 17 . 1 1 40 40 LEU CB C 40 46.490 46.490 43.775 2.716 17606 6655 1 17 . 1 1 40 40 LEU H H 40 8.947 8.947 9.027 -0.080 17606 6656 1 17 . 1 1 41 41 TYR N N 41 119.021 119.021 121.261 -2.240 17606 6657 1 17 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.966 0.141 17606 6658 1 17 . 1 1 41 41 TYR C C 41 173.968 173.968 174.389 -0.421 17606 6659 1 17 . 1 1 41 41 TYR CA C 41 56.856 56.856 56.941 -0.085 17606 6660 1 17 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.570 -0.428 17606 6661 1 17 . 1 1 41 41 TYR H H 41 9.337 9.337 9.530 -0.193 17606 6662 1 17 . 1 1 42 42 LEU N N 42 128.770 128.770 125.258 3.512 17606 6663 1 17 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.752 -0.779 17606 6664 1 17 . 1 1 42 42 LEU C C 42 175.491 175.491 174.688 0.803 17606 6665 1 17 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.426 0.941 17606 6666 1 17 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.557 -2.861 17606 6667 1 17 . 1 1 42 42 LEU H H 42 8.304 8.304 8.783 -0.479 17606 6668 1 17 . 1 1 43 43 VAL N N 43 121.269 121.269 122.088 -0.819 17606 6669 1 17 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.912 0.068 17606 6670 1 17 . 1 1 43 43 VAL C C 43 173.257 173.257 173.367 -0.110 17606 6671 1 17 . 1 1 43 43 VAL CA C 43 58.311 58.311 58.995 -0.684 17606 6672 1 17 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.106 -1.052 17606 6673 1 17 . 1 1 43 43 VAL H H 43 8.847 8.847 8.896 -0.049 17606 6674 1 17 . 1 1 44 44 HIS N N 44 118.126 118.126 115.931 2.195 17606 6675 1 17 . 1 1 44 44 HIS C C 44 174.272 174.272 172.935 1.337 17606 6676 1 17 . 1 1 44 44 HIS CA C 44 53.319 53.319 53.144 0.175 17606 6677 1 17 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.789 -1.773 17606 6678 1 17 . 1 1 44 44 HIS H H 44 8.286 8.286 8.403 -0.117 17606 6679 1 17 . 1 1 45 45 TYR N N 45 127.711 127.711 120.594 7.117 17606 6680 1 17 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.394 -0.295 17606 6681 1 17 . 1 1 45 45 TYR C C 45 175.343 175.343 175.085 0.258 17606 6682 1 17 . 1 1 45 45 TYR CA C 45 58.240 58.240 56.562 1.677 17606 6683 1 17 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.607 -0.107 17606 6684 1 17 . 1 1 45 45 TYR H H 45 8.013 8.013 8.552 -0.539 17606 6685 1 17 . 1 1 46 46 TYR N N 46 121.373 121.373 122.102 -0.729 17606 6686 1 17 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.075 0.139 17606 6687 1 17 . 1 1 46 46 TYR CA C 46 58.945 58.945 59.027 -0.082 17606 6688 1 17 . 1 1 46 46 TYR CB C 46 38.400 38.400 36.534 1.866 17606 6689 1 17 . 1 1 46 46 TYR H H 46 7.842 7.842 7.965 -0.123 17606 6690 1 17 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.221 0.926 17606 6691 1 17 . 1 1 48 48 TRP N N 48 121.413 121.413 123.698 -2.285 17606 6692 1 17 . 1 1 48 48 TRP CA C 48 55.966 55.966 56.338 -0.372 17606 6693 1 17 . 1 1 48 48 TRP CB C 48 30.399 30.399 29.943 0.456 17606 6694 1 17 . 1 1 48 48 TRP H H 48 8.105 8.105 8.313 -0.208 17606 6695 1 17 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.087 0.087 17606 6696 1 17 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.774 -1.891 17606 6697 1 17 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.330 -0.106 17606 6698 1 17 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.405 -0.287 17606 6699 1 17 . 1 1 51 51 ARG C C 51 176.010 176.010 176.660 -0.650 17606 6700 1 17 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.855 0.149 17606 6701 1 17 . 1 1 51 51 ARG CB C 51 29.934 29.934 31.151 -1.217 17606 6702 1 17 . 1 1 52 52 TYR N N 52 119.263 119.263 118.914 0.349 17606 6703 1 17 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.538 0.098 17606 6704 1 17 . 1 1 52 52 TYR CA C 52 58.000 58.000 57.678 0.322 17606 6705 1 17 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.337 0.467 17606 6706 1 17 . 1 1 52 52 TYR H H 52 7.860 7.860 8.101 -0.241 17606 6707 1 17 . 1 1 53 53 ASP N N 53 122.103 122.103 119.968 2.135 17606 6708 1 17 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.475 0.502 17606 6709 1 17 . 1 1 53 53 ASP CA C 53 55.272 55.272 55.136 0.136 17606 6710 1 17 . 1 1 53 53 ASP CB C 53 40.304 40.304 41.245 -0.941 17606 6711 1 17 . 1 1 53 53 ASP H H 53 8.014 8.014 7.745 0.269 17606 6712 1 17 . 1 1 54 54 GLU N N 54 119.733 119.733 127.525 -7.792 17606 6713 1 17 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.704 0.069 17606 6714 1 17 . 1 1 54 54 GLU C C 54 174.099 174.099 174.910 -0.811 17606 6715 1 17 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.078 0.800 17606 6716 1 17 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.791 0.340 17606 6717 1 17 . 1 1 54 54 GLU H H 54 8.018 8.018 8.796 -0.778 17606 6718 1 17 . 1 1 55 55 TRP N N 55 124.675 124.675 123.750 0.925 17606 6719 1 17 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.749 -0.505 17606 6720 1 17 . 1 1 55 55 TRP C C 55 177.088 177.088 176.265 0.823 17606 6721 1 17 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.007 0.382 17606 6722 1 17 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.862 -1.449 17606 6723 1 17 . 1 1 55 55 TRP H H 55 8.760 8.760 8.589 0.171 17606 6724 1 17 . 1 1 56 56 VAL N N 56 119.873 119.873 118.862 1.011 17606 6725 1 17 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.831 0.093 17606 6726 1 17 . 1 1 56 56 VAL C C 56 174.866 174.866 174.430 0.436 17606 6727 1 17 . 1 1 56 56 VAL CA C 56 58.968 58.968 59.098 -0.130 17606 6728 1 17 . 1 1 56 56 VAL CB C 56 35.861 35.861 36.084 -0.223 17606 6729 1 17 . 1 1 56 56 VAL H H 56 10.006 10.006 9.204 0.802 17606 6730 1 17 . 1 1 57 57 LYS N N 57 120.466 120.466 124.046 -3.580 17606 6731 1 17 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.967 -0.102 17606 6732 1 17 . 1 1 57 57 LYS C C 57 178.120 178.120 178.049 0.071 17606 6733 1 17 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.671 0.770 17606 6734 1 17 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.160 0.024 17606 6735 1 17 . 1 1 57 57 LYS H H 57 8.361 8.361 8.561 -0.200 17606 6736 1 17 . 1 1 58 58 ALA N N 58 120.318 120.318 124.971 -4.653 17606 6737 1 17 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.124 0.030 17606 6738 1 17 . 1 1 58 58 ALA C C 58 179.508 179.508 179.189 0.319 17606 6739 1 17 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.680 0.009 17606 6740 1 17 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.840 0.634 17606 6741 1 17 . 1 1 58 58 ALA H H 58 9.064 9.064 8.601 0.463 17606 6742 1 17 . 1 1 59 59 ASP N N 59 113.824 113.824 115.597 -1.773 17606 6743 1 17 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.403 0.134 17606 6744 1 17 . 1 1 59 59 ASP C C 59 177.499 177.499 177.031 0.468 17606 6745 1 17 . 1 1 59 59 ASP CA C 59 55.653 55.653 55.980 -0.327 17606 6746 1 17 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.249 -0.515 17606 6747 1 17 . 1 1 59 59 ASP H H 59 8.256 8.256 8.718 -0.462 17606 6748 1 17 . 1 1 60 60 ARG N N 60 118.041 118.041 117.364 0.677 17606 6749 1 17 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.417 -0.126 17606 6750 1 17 . 1 1 60 60 ARG C C 60 174.918 174.918 175.281 -0.363 17606 6751 1 17 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.889 0.255 17606 6752 1 17 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.850 0.159 17606 6753 1 17 . 1 1 60 60 ARG H H 60 7.931 7.931 7.714 0.217 17606 6754 1 17 . 1 1 61 61 ILE N N 61 118.787 118.787 119.798 -1.011 17606 6755 1 17 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.522 -0.405 17606 6756 1 17 . 1 1 61 61 ILE C C 61 175.243 175.243 175.449 -0.206 17606 6757 1 17 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.961 0.452 17606 6758 1 17 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.048 -1.620 17606 6759 1 17 . 1 1 61 61 ILE H H 61 7.463 7.463 7.393 0.070 17606 6760 1 17 . 1 1 62 62 ILE N N 62 127.975 127.975 124.957 3.018 17606 6761 1 17 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.365 -0.209 17606 6762 1 17 . 1 1 62 62 ILE C C 62 175.867 175.867 174.884 0.983 17606 6763 1 17 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.815 0.621 17606 6764 1 17 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.836 -0.517 17606 6765 1 17 . 1 1 62 62 ILE H H 62 8.773 8.773 8.825 -0.052 17606 6766 1 17 . 1 1 63 63 TRP N N 63 131.233 131.233 130.021 1.212 17606 6767 1 17 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.855 -0.293 17606 6768 1 17 . 1 1 63 63 TRP C C 63 174.859 174.859 174.411 0.448 17606 6769 1 17 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.121 0.421 17606 6770 1 17 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.286 -0.627 17606 6771 1 17 . 1 1 63 63 TRP H H 63 8.506 8.506 8.422 0.084 17606 6772 1 17 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.418 0.131 17606 6773 1 17 . 1 1 64 64 PRO C C 64 176.966 176.966 175.645 1.321 17606 6774 1 17 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.498 -0.367 17606 6775 1 17 . 1 1 64 64 PRO CB C 64 32.025 32.025 32.038 -0.013 17606 6776 1 17 . 1 1 65 65 LEU N N 65 121.886 121.886 126.262 -4.376 17606 6777 1 17 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.358 -0.025 17606 6778 1 17 . 1 1 65 65 LEU C C 65 177.243 177.243 175.715 1.528 17606 6779 1 17 . 1 1 65 65 LEU CA C 65 55.492 55.492 54.820 0.672 17606 6780 1 17 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.163 -0.792 17606 6781 1 17 . 1 1 65 65 LEU H H 65 8.426 8.426 7.760 0.666 17606 6782 1 17 . 1 1 66 66 ASP N N 66 120.509 120.509 120.311 0.198 17606 6783 1 17 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.401 0.177 17606 6784 1 17 . 1 1 66 66 ASP C C 66 176.402 176.402 175.385 1.017 17606 6785 1 17 . 1 1 66 66 ASP CA C 66 54.249 54.249 54.919 -0.670 17606 6786 1 17 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.692 0.464 17606 6787 1 17 . 1 1 66 66 ASP H H 66 8.348 8.348 8.495 -0.147 17606 6788 1 17 . 1 1 67 67 LYS N N 67 121.925 121.925 118.876 3.049 17606 6789 1 17 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.294 -0.016 17606 6790 1 17 . 1 1 67 67 LYS C C 67 177.158 177.158 177.427 -0.269 17606 6791 1 17 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.312 0.287 17606 6792 1 17 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.900 -0.147 17606 6793 1 17 . 1 1 67 67 LYS H H 67 8.327 8.327 8.014 0.313 17606 6794 1 17 . 1 1 68 68 GLY N N 68 109.417 109.417 107.527 1.890 17606 6795 1 17 . 1 1 68 68 GLY C C 68 174.413 174.413 173.450 0.963 17606 6796 1 17 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.368 0.255 17606 6797 1 17 . 1 1 68 68 GLY H H 68 8.558 8.558 8.594 -0.036 17606 6798 1 17 . 1 1 69 69 LEU N N 69 120.937 120.937 123.559 -2.622 17606 6799 1 17 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.706 -0.451 17606 6800 1 17 . 1 1 69 69 LEU C C 69 177.559 177.559 176.370 1.189 17606 6801 1 17 . 1 1 69 69 LEU CA C 69 55.326 55.326 53.940 1.387 17606 6802 1 17 . 1 1 69 69 LEU CB C 69 42.169 42.169 42.059 0.110 17606 6803 1 17 . 1 1 69 69 LEU H H 69 7.972 7.972 8.072 -0.100 17606 6804 1 17 . 1 1 70 70 GLU N N 70 120.764 120.764 123.983 -3.219 17606 6805 1 17 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.365 -0.239 17606 6806 1 17 . 1 1 70 70 GLU C C 70 176.435 176.435 176.654 -0.219 17606 6807 1 17 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.084 1.067 17606 6808 1 17 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.733 -0.875 17606 6809 1 17 . 1 1 70 70 GLU H H 70 8.443 8.443 8.723 -0.280 17606 6810 1 17 . 1 1 71 71 HIS N N 71 119.554 119.554 124.082 -4.528 17606 6811 1 17 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.797 -0.199 17606 6812 1 17 . 1 1 71 71 HIS C C 71 174.001 174.001 174.371 -0.370 17606 6813 1 17 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.277 0.801 17606 6814 1 17 . 1 1 71 71 HIS CB C 71 30.551 30.551 28.351 2.200 17606 6815 1 17 . 1 1 71 71 HIS H H 71 8.223 8.223 9.060 -0.837 17606 6816 1 17 . 1 1 72 72 HIS N N 72 125.509 125.509 121.516 3.993 17606 6817 1 17 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.329 0.085 17606 6818 1 17 . 1 1 72 72 HIS C C 72 179.225 179.225 174.909 4.316 17606 6819 1 17 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.633 -0.270 17606 6820 1 17 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.821 -0.371 17606 6821 1 17 . 1 1 72 72 HIS H H 72 8.101 8.101 7.866 0.235 17606 6822 1 17 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.594 -0.050 17606 6823 1 17 . 1 1 73 73 HIS CA C 73 56.078 56.078 54.596 1.482 17606 6824 1 17 . 1 1 73 73 HIS CB C 73 30.551 30.551 31.233 -0.682 17606 6825 1 17 . 1 1 74 74 HIS N N 74 120.202 120.202 123.679 -3.477 17606 6826 1 17 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.540 -0.338 17606 6827 1 17 . 1 1 74 74 HIS CA C 74 56.035 56.035 56.308 -0.273 17606 6828 1 17 . 1 1 74 74 HIS CB C 74 30.232 30.232 28.778 1.454 17606 6829 1 17 . 1 1 74 74 HIS H H 74 8.189 8.189 8.505 -0.316 17606 6830 1 17 . 1 1 75 75 HIS N N 75 120.367 120.367 124.018 -3.651 17606 6831 1 17 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.543 -0.120 17606 6832 1 17 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.960 -1.445 17606 6833 1 17 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.694 2.574 17606 6834 1 17 . 1 1 75 75 HIS H H 75 8.258 8.258 8.895 -0.637 17606 6835 1 18 . 1 1 2 2 ASP N N 2 121.539 121.539 122.349 -0.810 17606 6836 1 18 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.610 -0.055 17606 6837 1 18 . 1 1 2 2 ASP C C 2 176.030 176.030 175.749 0.281 17606 6838 1 18 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.448 0.105 17606 6839 1 18 . 1 1 2 2 ASP CB C 2 41.304 41.304 42.874 -1.570 17606 6840 1 18 . 1 1 2 2 ASP H H 2 8.515 8.515 9.689 -1.174 17606 6841 1 18 . 1 1 3 3 MET N N 3 120.469 120.469 121.106 -0.637 17606 6842 1 18 . 1 1 3 3 MET HA H 3 4.472 4.472 4.576 -0.104 17606 6843 1 18 . 1 1 3 3 MET C C 3 176.040 176.040 174.388 1.652 17606 6844 1 18 . 1 1 3 3 MET CA C 3 55.373 55.373 56.051 -0.678 17606 6845 1 18 . 1 1 3 3 MET CB C 3 33.196 33.196 33.559 -0.363 17606 6846 1 18 . 1 1 3 3 MET H H 3 8.340 8.340 7.596 0.744 17606 6847 1 18 . 1 1 4 4 GLU N N 4 123.512 123.512 126.448 -2.936 17606 6848 1 18 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.586 -0.048 17606 6849 1 18 . 1 1 4 4 GLU C C 4 174.592 174.592 175.875 -1.283 17606 6850 1 18 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.957 0.597 17606 6851 1 18 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.929 -0.283 17606 6852 1 18 . 1 1 4 4 GLU H H 4 8.424 8.424 8.517 -0.093 17606 6853 1 18 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.295 0.107 17606 6854 1 18 . 1 1 5 5 PRO C C 5 176.669 176.669 176.666 0.003 17606 6855 1 18 . 1 1 5 5 PRO CA C 5 63.491 63.491 64.607 -1.116 17606 6856 1 18 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.797 0.204 17606 6857 1 18 . 1 1 6 6 CYS N N 6 119.970 119.970 117.869 2.101 17606 6858 1 18 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.586 -0.064 17606 6859 1 18 . 1 1 6 6 CYS C C 6 175.020 175.020 174.510 0.510 17606 6860 1 18 . 1 1 6 6 CYS CA C 6 58.662 58.662 57.703 0.959 17606 6861 1 18 . 1 1 6 6 CYS CB C 6 27.638 27.638 26.848 0.790 17606 6862 1 18 . 1 1 6 6 CYS H H 6 8.539 8.539 7.980 0.559 17606 6863 1 18 . 1 1 7 7 LEU N N 7 125.146 125.146 115.907 9.239 17606 6864 1 18 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.048 0.385 17606 6865 1 18 . 1 1 7 7 LEU C C 7 178.244 178.244 175.334 2.910 17606 6866 1 18 . 1 1 7 7 LEU CA C 7 55.361 55.361 55.307 0.054 17606 6867 1 18 . 1 1 7 7 LEU CB C 7 42.687 42.687 38.941 3.745 17606 6868 1 18 . 1 1 7 7 LEU H H 7 8.649 8.649 7.541 1.108 17606 6869 1 18 . 1 1 8 8 THR N N 8 116.760 116.760 110.324 6.436 17606 6870 1 18 . 1 1 8 8 THR HA H 8 3.966 3.966 4.410 -0.444 17606 6871 1 18 . 1 1 8 8 THR C C 8 175.108 175.108 176.320 -1.212 17606 6872 1 18 . 1 1 8 8 THR CA C 8 64.244 64.244 62.241 2.003 17606 6873 1 18 . 1 1 8 8 THR CB C 8 69.071 69.071 69.522 -0.451 17606 6874 1 18 . 1 1 8 8 THR H H 8 8.124 8.124 7.692 0.432 17606 6875 1 18 . 1 1 9 9 GLY N N 9 113.810 113.810 112.083 1.727 17606 6876 1 18 . 1 1 9 9 GLY C C 9 174.510 174.510 174.807 -0.297 17606 6877 1 18 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.237 -0.225 17606 6878 1 18 . 1 1 9 9 GLY H H 9 9.095 9.095 8.869 0.226 17606 6879 1 18 . 1 1 10 10 THR N N 10 116.938 116.938 120.021 -3.083 17606 6880 1 18 . 1 1 10 10 THR HA H 10 4.179 4.179 4.206 -0.027 17606 6881 1 18 . 1 1 10 10 THR C C 10 173.450 173.450 173.987 -0.537 17606 6882 1 18 . 1 1 10 10 THR CA C 10 64.192 64.192 62.902 1.290 17606 6883 1 18 . 1 1 10 10 THR CB C 10 70.093 70.093 69.226 0.867 17606 6884 1 18 . 1 1 10 10 THR H H 10 8.002 8.002 7.519 0.483 17606 6885 1 18 . 1 1 11 11 LYS N N 11 127.263 127.263 128.154 -0.891 17606 6886 1 18 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.877 -0.051 17606 6887 1 18 . 1 1 11 11 LYS C C 11 176.157 176.157 175.762 0.395 17606 6888 1 18 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.686 1.055 17606 6889 1 18 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.257 0.298 17606 6890 1 18 . 1 1 11 11 LYS H H 11 8.514 8.514 8.611 -0.097 17606 6891 1 18 . 1 1 12 12 VAL N N 12 116.892 116.892 118.893 -2.001 17606 6892 1 18 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.431 0.159 17606 6893 1 18 . 1 1 12 12 VAL C C 12 174.476 174.476 173.713 0.763 17606 6894 1 18 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.949 0.264 17606 6895 1 18 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.185 0.358 17606 6896 1 18 . 1 1 12 12 VAL H H 12 8.738 8.738 8.883 -0.145 17606 6897 1 18 . 1 1 13 13 LYS N N 13 118.427 118.427 120.478 -2.051 17606 6898 1 18 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.966 0.157 17606 6899 1 18 . 1 1 13 13 LYS C C 13 174.853 174.853 174.888 -0.035 17606 6900 1 18 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.984 -0.001 17606 6901 1 18 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.509 0.278 17606 6902 1 18 . 1 1 13 13 LYS H H 13 7.677 7.677 8.354 -0.677 17606 6903 1 18 . 1 1 14 14 VAL N N 14 120.913 120.913 125.591 -4.678 17606 6904 1 18 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.710 0.116 17606 6905 1 18 . 1 1 14 14 VAL C C 14 175.645 175.645 174.188 1.457 17606 6906 1 18 . 1 1 14 14 VAL CA C 14 60.391 60.391 61.249 -0.858 17606 6907 1 18 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.844 1.183 17606 6908 1 18 . 1 1 14 14 VAL H H 14 9.178 9.178 9.374 -0.196 17606 6909 1 18 . 1 1 15 15 LYS N N 15 125.862 125.862 127.791 -1.929 17606 6910 1 18 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.653 -0.071 17606 6911 1 18 . 1 1 15 15 LYS C C 15 175.430 175.430 174.388 1.042 17606 6912 1 18 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.334 1.357 17606 6913 1 18 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.055 -0.291 17606 6914 1 18 . 1 1 15 15 LYS H H 15 9.010 9.010 9.086 -0.076 17606 6915 1 18 . 1 1 16 16 TYR N N 16 127.499 127.499 128.001 -0.502 17606 6916 1 18 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.696 -0.058 17606 6917 1 18 . 1 1 16 16 TYR C C 16 175.096 175.096 173.499 1.597 17606 6918 1 18 . 1 1 16 16 TYR CA C 16 58.348 58.348 56.487 1.861 17606 6919 1 18 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.594 0.899 17606 6920 1 18 . 1 1 16 16 TYR H H 16 9.305 9.305 8.602 0.703 17606 6921 1 18 . 1 1 17 17 GLY N N 17 115.501 115.501 114.678 0.823 17606 6922 1 18 . 1 1 17 17 GLY C C 17 173.380 173.380 172.254 1.126 17606 6923 1 18 . 1 1 17 17 GLY CA C 17 44.216 44.216 44.844 -0.629 17606 6924 1 18 . 1 1 17 17 GLY H H 17 8.383 8.383 8.278 0.105 17606 6925 1 18 . 1 1 18 18 ARG N N 18 117.847 117.847 124.606 -6.759 17606 6926 1 18 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.677 -0.072 17606 6927 1 18 . 1 1 18 18 ARG C C 18 175.941 175.941 176.741 -0.800 17606 6928 1 18 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.075 1.265 17606 6929 1 18 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.516 2.670 17606 6930 1 18 . 1 1 18 18 ARG H H 18 8.305 8.305 8.879 -0.574 17606 6931 1 18 . 1 1 19 19 GLY N N 19 110.572 110.572 115.927 -5.355 17606 6932 1 18 . 1 1 19 19 GLY C C 19 176.227 176.227 174.519 1.708 17606 6933 1 18 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.968 -1.079 17606 6934 1 18 . 1 1 19 19 GLY H H 19 8.857 8.857 8.829 0.028 17606 6935 1 18 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.292 -0.108 17606 6936 1 18 . 1 1 20 20 LYS C C 20 177.694 177.694 177.621 0.073 17606 6937 1 18 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.254 1.125 17606 6938 1 18 . 1 1 20 20 LYS CB C 20 32.493 32.493 33.220 -0.727 17606 6939 1 18 . 1 1 20 20 LYS H H 20 6.723 6.723 8.240 -1.517 17606 6940 1 18 . 1 1 21 21 THR N N 21 108.329 108.329 119.155 -10.826 17606 6941 1 18 . 1 1 21 21 THR HA H 21 4.437 4.437 4.379 0.058 17606 6942 1 18 . 1 1 21 21 THR C C 21 173.999 173.999 172.579 1.420 17606 6943 1 18 . 1 1 21 21 THR CA C 21 60.895 60.895 63.109 -2.214 17606 6944 1 18 . 1 1 21 21 THR CB C 21 68.907 68.907 67.479 1.428 17606 6945 1 18 . 1 1 21 21 THR H H 21 7.839 7.839 7.922 -0.083 17606 6946 1 18 . 1 1 22 22 GLN N N 22 123.126 123.126 127.228 -4.102 17606 6947 1 18 . 1 1 22 22 GLN HA H 22 4.430 4.430 5.575 -1.145 17606 6948 1 18 . 1 1 22 22 GLN C C 22 175.190 175.190 174.253 0.937 17606 6949 1 18 . 1 1 22 22 GLN CA C 22 56.795 56.795 54.593 2.202 17606 6950 1 18 . 1 1 22 22 GLN CB C 22 31.031 31.031 31.618 -0.587 17606 6951 1 18 . 1 1 22 22 GLN H H 22 7.503 7.503 8.139 -0.636 17606 6952 1 18 . 1 1 23 23 LYS N N 23 126.763 126.763 124.770 1.993 17606 6953 1 18 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.622 -0.085 17606 6954 1 18 . 1 1 23 23 LYS C C 23 174.087 174.087 173.942 0.145 17606 6955 1 18 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.740 -0.296 17606 6956 1 18 . 1 1 23 23 LYS CB C 23 36.495 36.495 36.049 0.446 17606 6957 1 18 . 1 1 23 23 LYS H H 23 8.937 8.937 9.082 -0.145 17606 6958 1 18 . 1 1 24 24 ILE N N 24 120.287 120.287 122.228 -1.941 17606 6959 1 18 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.976 -0.226 17606 6960 1 18 . 1 1 24 24 ILE C C 24 175.772 175.772 175.813 -0.041 17606 6961 1 18 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.949 -0.029 17606 6962 1 18 . 1 1 24 24 ILE CB C 24 39.254 39.254 38.845 0.409 17606 6963 1 18 . 1 1 24 24 ILE H H 24 7.980 7.980 8.556 -0.576 17606 6964 1 18 . 1 1 25 25 TYR N N 25 126.020 126.020 125.966 0.054 17606 6965 1 18 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.106 -0.035 17606 6966 1 18 . 1 1 25 25 TYR C C 25 175.859 175.859 174.800 1.059 17606 6967 1 18 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.162 0.698 17606 6968 1 18 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.711 1.756 17606 6969 1 18 . 1 1 25 25 TYR H H 25 8.885 8.885 9.144 -0.259 17606 6970 1 18 . 1 1 26 26 GLU N N 26 121.186 121.186 119.776 1.410 17606 6971 1 18 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.224 -0.582 17606 6972 1 18 . 1 1 26 26 GLU C C 26 176.001 176.001 175.369 0.632 17606 6973 1 18 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.715 1.413 17606 6974 1 18 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.788 -2.065 17606 6975 1 18 . 1 1 26 26 GLU H H 26 8.915 8.915 9.103 -0.188 17606 6976 1 18 . 1 1 27 27 ALA N N 27 125.281 125.281 127.571 -2.290 17606 6977 1 18 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.100 -0.130 17606 6978 1 18 . 1 1 27 27 ALA C C 27 175.178 175.178 175.040 0.138 17606 6979 1 18 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.630 0.685 17606 6980 1 18 . 1 1 27 27 ALA CB C 27 24.655 24.655 23.037 1.618 17606 6981 1 18 . 1 1 27 27 ALA H H 27 8.834 8.834 9.247 -0.413 17606 6982 1 18 . 1 1 28 28 SER N N 28 112.133 112.133 113.626 -1.493 17606 6983 1 18 . 1 1 28 28 SER HA H 28 5.328 5.328 5.520 -0.192 17606 6984 1 18 . 1 1 28 28 SER C C 28 174.404 174.404 174.534 -0.130 17606 6985 1 18 . 1 1 28 28 SER CA C 28 56.133 56.133 56.015 0.118 17606 6986 1 18 . 1 1 28 28 SER CB C 28 66.075 66.075 65.229 0.846 17606 6987 1 18 . 1 1 28 28 SER H H 28 8.529 8.529 8.977 -0.448 17606 6988 1 18 . 1 1 29 29 ILE N N 29 122.044 122.044 124.461 -2.417 17606 6989 1 18 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.959 0.183 17606 6990 1 18 . 1 1 29 29 ILE C C 29 176.473 176.473 176.520 -0.047 17606 6991 1 18 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.978 0.583 17606 6992 1 18 . 1 1 29 29 ILE CB C 29 38.024 38.024 35.969 2.054 17606 6993 1 18 . 1 1 29 29 ILE H H 29 8.431 8.431 8.924 -0.493 17606 6994 1 18 . 1 1 30 30 LYS N N 30 128.795 128.795 130.056 -1.261 17606 6995 1 18 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.293 0.117 17606 6996 1 18 . 1 1 30 30 LYS C C 30 176.559 176.559 176.131 0.428 17606 6997 1 18 . 1 1 30 30 LYS CA C 30 57.009 57.009 55.963 1.046 17606 6998 1 18 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.035 -0.154 17606 6999 1 18 . 1 1 30 30 LYS H H 30 9.687 9.687 8.960 0.727 17606 7000 1 18 . 1 1 31 31 SER N N 31 111.044 111.044 111.958 -0.914 17606 7001 1 18 . 1 1 31 31 SER HA H 31 4.671 4.671 4.572 0.099 17606 7002 1 18 . 1 1 31 31 SER C C 31 172.457 172.457 171.763 0.694 17606 7003 1 18 . 1 1 31 31 SER CA C 31 57.353 57.353 57.923 -0.570 17606 7004 1 18 . 1 1 31 31 SER CB C 31 64.824 64.824 63.988 0.836 17606 7005 1 18 . 1 1 31 31 SER H H 31 7.537 7.537 8.022 -0.485 17606 7006 1 18 . 1 1 32 32 THR N N 32 113.911 113.911 116.599 -2.688 17606 7007 1 18 . 1 1 32 32 THR HA H 32 5.564 5.564 4.969 0.595 17606 7008 1 18 . 1 1 32 32 THR C C 32 173.003 173.003 173.225 -0.222 17606 7009 1 18 . 1 1 32 32 THR CA C 32 60.589 60.589 61.716 -1.127 17606 7010 1 18 . 1 1 32 32 THR CB C 32 72.217 72.217 71.797 0.420 17606 7011 1 18 . 1 1 32 32 THR H H 32 8.237 8.237 8.397 -0.160 17606 7012 1 18 . 1 1 33 33 GLU N N 33 123.514 123.514 123.069 0.445 17606 7013 1 18 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.732 -0.104 17606 7014 1 18 . 1 1 33 33 GLU C C 33 173.487 173.487 174.211 -0.724 17606 7015 1 18 . 1 1 33 33 GLU CA C 33 55.456 55.456 54.925 0.531 17606 7016 1 18 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.393 -0.294 17606 7017 1 18 . 1 1 33 33 GLU H H 33 8.970 8.970 9.384 -0.414 17606 7018 1 18 . 1 1 34 34 ILE N N 34 122.095 122.095 121.734 0.361 17606 7019 1 18 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.735 -0.000 17606 7020 1 18 . 1 1 34 34 ILE C C 34 175.620 175.620 175.199 0.421 17606 7021 1 18 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.122 -0.075 17606 7022 1 18 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.156 -0.499 17606 7023 1 18 . 1 1 34 34 ILE H H 34 8.505 8.505 8.608 -0.103 17606 7024 1 18 . 1 1 35 35 ASP N N 35 127.840 127.840 128.751 -0.911 17606 7025 1 18 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.848 -0.075 17606 7026 1 18 . 1 1 35 35 ASP C C 35 175.804 175.804 175.364 0.440 17606 7027 1 18 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.071 0.165 17606 7028 1 18 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.339 0.080 17606 7029 1 18 . 1 1 35 35 ASP H H 35 8.948 8.948 9.243 -0.295 17606 7030 1 18 . 1 1 36 36 ASP N N 36 127.315 127.315 127.588 -0.273 17606 7031 1 18 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.285 -0.022 17606 7032 1 18 . 1 1 36 36 ASP C C 36 175.993 175.993 176.521 -0.528 17606 7033 1 18 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.474 0.645 17606 7034 1 18 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.356 -0.697 17606 7035 1 18 . 1 1 36 36 ASP H H 36 9.065 9.065 8.997 0.068 17606 7036 1 18 . 1 1 37 37 GLY N N 37 103.112 103.112 106.442 -3.330 17606 7037 1 18 . 1 1 37 37 GLY C C 37 173.541 173.541 173.467 0.074 17606 7038 1 18 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.212 0.259 17606 7039 1 18 . 1 1 37 37 GLY H H 37 8.045 8.045 8.433 -0.388 17606 7040 1 18 . 1 1 38 38 GLU N N 38 121.172 121.172 119.383 1.789 17606 7041 1 18 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.603 0.048 17606 7042 1 18 . 1 1 38 38 GLU C C 38 174.246 174.246 175.197 -0.951 17606 7043 1 18 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.660 0.059 17606 7044 1 18 . 1 1 38 38 GLU CB C 38 32.205 32.205 31.777 0.428 17606 7045 1 18 . 1 1 38 38 GLU H H 38 7.769 7.769 7.355 0.414 17606 7046 1 18 . 1 1 39 39 VAL N N 39 123.983 123.983 122.237 1.746 17606 7047 1 18 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.518 -0.308 17606 7048 1 18 . 1 1 39 39 VAL C C 39 174.546 174.546 175.204 -0.658 17606 7049 1 18 . 1 1 39 39 VAL CA C 39 63.041 63.041 62.211 0.830 17606 7050 1 18 . 1 1 39 39 VAL CB C 39 32.269 32.269 31.993 0.276 17606 7051 1 18 . 1 1 39 39 VAL H H 39 8.455 8.455 8.787 -0.332 17606 7052 1 18 . 1 1 40 40 LEU N N 40 127.105 127.105 127.273 -0.168 17606 7053 1 18 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.051 0.041 17606 7054 1 18 . 1 1 40 40 LEU C C 40 175.819 175.819 175.668 0.151 17606 7055 1 18 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.914 -0.661 17606 7056 1 18 . 1 1 40 40 LEU CB C 40 46.490 46.490 43.917 2.573 17606 7057 1 18 . 1 1 40 40 LEU H H 40 8.947 8.947 9.143 -0.196 17606 7058 1 18 . 1 1 41 41 TYR N N 41 119.021 119.021 121.117 -2.096 17606 7059 1 18 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.038 0.069 17606 7060 1 18 . 1 1 41 41 TYR C C 41 173.968 173.968 174.505 -0.537 17606 7061 1 18 . 1 1 41 41 TYR CA C 41 56.856 56.856 56.988 -0.132 17606 7062 1 18 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.269 -0.127 17606 7063 1 18 . 1 1 41 41 TYR H H 41 9.337 9.337 9.644 -0.307 17606 7064 1 18 . 1 1 42 42 LEU N N 42 128.770 128.770 123.459 5.311 17606 7065 1 18 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.572 -0.599 17606 7066 1 18 . 1 1 42 42 LEU C C 42 175.491 175.491 174.980 0.511 17606 7067 1 18 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.751 0.616 17606 7068 1 18 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.366 -3.670 17606 7069 1 18 . 1 1 42 42 LEU H H 42 8.304 8.304 8.816 -0.512 17606 7070 1 18 . 1 1 43 43 VAL N N 43 121.269 121.269 119.113 2.156 17606 7071 1 18 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.862 0.118 17606 7072 1 18 . 1 1 43 43 VAL C C 43 173.257 173.257 173.303 -0.046 17606 7073 1 18 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.078 -0.767 17606 7074 1 18 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.957 -0.903 17606 7075 1 18 . 1 1 43 43 VAL H H 43 8.847 8.847 9.009 -0.162 17606 7076 1 18 . 1 1 44 44 HIS N N 44 118.126 118.126 123.261 -5.135 17606 7077 1 18 . 1 1 44 44 HIS C C 44 174.272 174.272 174.062 0.210 17606 7078 1 18 . 1 1 44 44 HIS CA C 44 53.319 53.319 53.353 -0.034 17606 7079 1 18 . 1 1 44 44 HIS CB C 44 31.016 31.016 33.444 -2.428 17606 7080 1 18 . 1 1 44 44 HIS H H 44 8.286 8.286 8.909 -0.623 17606 7081 1 18 . 1 1 45 45 TYR N N 45 127.711 127.711 127.462 0.249 17606 7082 1 18 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.232 -0.133 17606 7083 1 18 . 1 1 45 45 TYR C C 45 175.343 175.343 175.174 0.169 17606 7084 1 18 . 1 1 45 45 TYR CA C 45 58.240 58.240 58.506 -0.266 17606 7085 1 18 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.911 -0.411 17606 7086 1 18 . 1 1 45 45 TYR H H 45 8.013 8.013 8.034 -0.021 17606 7087 1 18 . 1 1 46 46 TYR N N 46 121.373 121.373 127.067 -5.694 17606 7088 1 18 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.409 -0.195 17606 7089 1 18 . 1 1 46 46 TYR CA C 46 58.945 58.945 59.141 -0.196 17606 7090 1 18 . 1 1 46 46 TYR CB C 46 38.400 38.400 37.788 0.612 17606 7091 1 18 . 1 1 46 46 TYR H H 46 7.842 7.842 8.430 -0.588 17606 7092 1 18 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.932 0.215 17606 7093 1 18 . 1 1 48 48 TRP N N 48 121.413 121.413 123.669 -2.256 17606 7094 1 18 . 1 1 48 48 TRP CA C 48 55.966 55.966 58.730 -2.764 17606 7095 1 18 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.154 0.245 17606 7096 1 18 . 1 1 48 48 TRP H H 48 8.105 8.105 8.295 -0.190 17606 7097 1 18 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.007 0.167 17606 7098 1 18 . 1 1 50 50 VAL CA C 50 62.883 62.883 63.831 -0.948 17606 7099 1 18 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.193 0.031 17606 7100 1 18 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.441 -0.323 17606 7101 1 18 . 1 1 51 51 ARG C C 51 176.010 176.010 175.890 0.120 17606 7102 1 18 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.200 0.804 17606 7103 1 18 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.442 -0.508 17606 7104 1 18 . 1 1 52 52 TYR N N 52 119.263 119.263 121.321 -2.058 17606 7105 1 18 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.428 0.208 17606 7106 1 18 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.474 1.526 17606 7107 1 18 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.139 0.665 17606 7108 1 18 . 1 1 52 52 TYR H H 52 7.860 7.860 7.896 -0.036 17606 7109 1 18 . 1 1 53 53 ASP N N 53 122.103 122.103 128.503 -6.400 17606 7110 1 18 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.699 0.278 17606 7111 1 18 . 1 1 53 53 ASP CA C 53 55.272 55.272 54.321 0.951 17606 7112 1 18 . 1 1 53 53 ASP CB C 53 40.304 40.304 41.896 -1.592 17606 7113 1 18 . 1 1 53 53 ASP H H 53 8.014 8.014 8.327 -0.313 17606 7114 1 18 . 1 1 54 54 GLU N N 54 119.733 119.733 127.014 -7.281 17606 7115 1 18 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.862 -0.089 17606 7116 1 18 . 1 1 54 54 GLU C C 54 174.099 174.099 174.679 -0.580 17606 7117 1 18 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.706 0.172 17606 7118 1 18 . 1 1 54 54 GLU CB C 54 34.131 34.131 34.052 0.079 17606 7119 1 18 . 1 1 54 54 GLU H H 54 8.018 8.018 7.976 0.042 17606 7120 1 18 . 1 1 55 55 TRP N N 55 124.675 124.675 122.660 2.015 17606 7121 1 18 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.685 -0.441 17606 7122 1 18 . 1 1 55 55 TRP C C 55 177.088 177.088 176.221 0.867 17606 7123 1 18 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.257 0.132 17606 7124 1 18 . 1 1 55 55 TRP CB C 55 29.413 29.413 31.377 -1.964 17606 7125 1 18 . 1 1 55 55 TRP H H 55 8.760 8.760 8.704 0.056 17606 7126 1 18 . 1 1 56 56 VAL N N 56 119.873 119.873 117.360 2.513 17606 7127 1 18 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.744 0.180 17606 7128 1 18 . 1 1 56 56 VAL C C 56 174.866 174.866 173.850 1.016 17606 7129 1 18 . 1 1 56 56 VAL CA C 56 58.968 58.968 59.160 -0.192 17606 7130 1 18 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.736 0.125 17606 7131 1 18 . 1 1 56 56 VAL H H 56 10.006 10.006 9.145 0.861 17606 7132 1 18 . 1 1 57 57 LYS N N 57 120.466 120.466 124.670 -4.204 17606 7133 1 18 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.924 -0.059 17606 7134 1 18 . 1 1 57 57 LYS C C 57 178.120 178.120 177.996 0.124 17606 7135 1 18 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.934 0.507 17606 7136 1 18 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.262 -0.078 17606 7137 1 18 . 1 1 57 57 LYS H H 57 8.361 8.361 8.402 -0.041 17606 7138 1 18 . 1 1 58 58 ALA N N 58 120.318 120.318 125.968 -5.650 17606 7139 1 18 . 1 1 58 58 ALA HA H 58 4.154 4.154 3.992 0.162 17606 7140 1 18 . 1 1 58 58 ALA C C 58 179.508 179.508 179.130 0.378 17606 7141 1 18 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.737 -0.048 17606 7142 1 18 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.519 0.955 17606 7143 1 18 . 1 1 58 58 ALA H H 58 9.064 9.064 8.726 0.338 17606 7144 1 18 . 1 1 59 59 ASP N N 59 113.824 113.824 116.604 -2.780 17606 7145 1 18 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.407 0.130 17606 7146 1 18 . 1 1 59 59 ASP C C 59 177.499 177.499 176.720 0.779 17606 7147 1 18 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.560 -0.907 17606 7148 1 18 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.573 -0.839 17606 7149 1 18 . 1 1 59 59 ASP H H 59 8.256 8.256 8.805 -0.549 17606 7150 1 18 . 1 1 60 60 ARG N N 60 118.041 118.041 116.022 2.019 17606 7151 1 18 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.517 -0.226 17606 7152 1 18 . 1 1 60 60 ARG C C 60 174.918 174.918 175.482 -0.564 17606 7153 1 18 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.588 1.556 17606 7154 1 18 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.306 0.703 17606 7155 1 18 . 1 1 60 60 ARG H H 60 7.931 7.931 7.892 0.039 17606 7156 1 18 . 1 1 61 61 ILE N N 61 118.787 118.787 120.530 -1.743 17606 7157 1 18 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.591 -0.474 17606 7158 1 18 . 1 1 61 61 ILE C C 61 175.243 175.243 175.500 -0.257 17606 7159 1 18 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.201 0.212 17606 7160 1 18 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.480 -2.051 17606 7161 1 18 . 1 1 61 61 ILE H H 61 7.463 7.463 7.652 -0.189 17606 7162 1 18 . 1 1 62 62 ILE N N 62 127.975 127.975 126.294 1.681 17606 7163 1 18 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.446 -0.290 17606 7164 1 18 . 1 1 62 62 ILE C C 62 175.867 175.867 174.920 0.947 17606 7165 1 18 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.751 0.685 17606 7166 1 18 . 1 1 62 62 ILE CB C 62 38.319 38.319 37.742 0.577 17606 7167 1 18 . 1 1 62 62 ILE H H 62 8.773 8.773 9.013 -0.240 17606 7168 1 18 . 1 1 63 63 TRP N N 63 131.233 131.233 129.566 1.667 17606 7169 1 18 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.832 -0.270 17606 7170 1 18 . 1 1 63 63 TRP C C 63 174.859 174.859 174.524 0.335 17606 7171 1 18 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.761 -0.219 17606 7172 1 18 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.047 -0.387 17606 7173 1 18 . 1 1 63 63 TRP H H 63 8.506 8.506 8.353 0.153 17606 7174 1 18 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.453 0.096 17606 7175 1 18 . 1 1 64 64 PRO C C 64 176.966 176.966 175.742 1.224 17606 7176 1 18 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.716 -0.585 17606 7177 1 18 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.852 0.173 17606 7178 1 18 . 1 1 65 65 LEU N N 65 121.886 121.886 123.680 -1.794 17606 7179 1 18 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.748 -0.415 17606 7180 1 18 . 1 1 65 65 LEU C C 65 177.243 177.243 176.279 0.964 17606 7181 1 18 . 1 1 65 65 LEU CA C 65 55.492 55.492 52.928 2.564 17606 7182 1 18 . 1 1 65 65 LEU CB C 65 42.370 42.370 46.868 -4.498 17606 7183 1 18 . 1 1 65 65 LEU H H 65 8.426 8.426 8.000 0.426 17606 7184 1 18 . 1 1 66 66 ASP N N 66 120.509 120.509 122.186 -1.677 17606 7185 1 18 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.719 -0.141 17606 7186 1 18 . 1 1 66 66 ASP C C 66 176.402 176.402 175.767 0.635 17606 7187 1 18 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.610 -1.361 17606 7188 1 18 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.066 1.090 17606 7189 1 18 . 1 1 66 66 ASP H H 66 8.348 8.348 8.591 -0.243 17606 7190 1 18 . 1 1 67 67 LYS N N 67 121.925 121.925 124.073 -2.148 17606 7191 1 18 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.505 -0.227 17606 7192 1 18 . 1 1 67 67 LYS C C 67 177.158 177.158 176.551 0.607 17606 7193 1 18 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.228 0.370 17606 7194 1 18 . 1 1 67 67 LYS CB C 67 32.753 32.753 35.206 -2.453 17606 7195 1 18 . 1 1 67 67 LYS H H 67 8.327 8.327 8.497 -0.170 17606 7196 1 18 . 1 1 68 68 GLY N N 68 109.417 109.417 107.032 2.385 17606 7197 1 18 . 1 1 68 68 GLY C C 68 174.413 174.413 175.056 -0.643 17606 7198 1 18 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.549 0.074 17606 7199 1 18 . 1 1 68 68 GLY H H 68 8.558 8.558 7.833 0.725 17606 7200 1 18 . 1 1 69 69 LEU N N 69 120.937 120.937 121.041 -0.104 17606 7201 1 18 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.570 -0.315 17606 7202 1 18 . 1 1 69 69 LEU C C 69 177.559 177.559 176.788 0.771 17606 7203 1 18 . 1 1 69 69 LEU CA C 69 55.326 55.326 55.626 -0.300 17606 7204 1 18 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.724 0.445 17606 7205 1 18 . 1 1 69 69 LEU H H 69 7.972 7.972 8.082 -0.110 17606 7206 1 18 . 1 1 70 70 GLU N N 70 120.764 120.764 118.849 1.915 17606 7207 1 18 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.472 -0.346 17606 7208 1 18 . 1 1 70 70 GLU C C 70 176.435 176.435 174.367 2.068 17606 7209 1 18 . 1 1 70 70 GLU CA C 70 57.150 57.150 55.820 1.330 17606 7210 1 18 . 1 1 70 70 GLU CB C 70 29.859 29.859 33.056 -3.197 17606 7211 1 18 . 1 1 70 70 GLU H H 70 8.443 8.443 7.915 0.528 17606 7212 1 18 . 1 1 71 71 HIS N N 71 119.554 119.554 120.874 -1.320 17606 7213 1 18 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.916 -0.318 17606 7214 1 18 . 1 1 71 71 HIS C C 71 174.001 174.001 173.786 0.215 17606 7215 1 18 . 1 1 71 71 HIS CA C 71 56.078 56.078 54.327 1.751 17606 7216 1 18 . 1 1 71 71 HIS CB C 71 30.551 30.551 30.159 0.392 17606 7217 1 18 . 1 1 71 71 HIS H H 71 8.223 8.223 8.427 -0.204 17606 7218 1 18 . 1 1 72 72 HIS N N 72 125.509 125.509 118.982 6.527 17606 7219 1 18 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.249 0.165 17606 7220 1 18 . 1 1 72 72 HIS C C 72 179.225 179.225 175.705 3.520 17606 7221 1 18 . 1 1 72 72 HIS CA C 72 57.363 57.363 58.109 -0.747 17606 7222 1 18 . 1 1 72 72 HIS CB C 72 30.450 30.450 29.852 0.598 17606 7223 1 18 . 1 1 72 72 HIS H H 72 8.101 8.101 8.351 -0.250 17606 7224 1 18 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.638 -0.094 17606 7225 1 18 . 1 1 73 73 HIS CA C 73 56.078 56.078 55.078 1.000 17606 7226 1 18 . 1 1 73 73 HIS CB C 73 30.551 30.551 29.287 1.264 17606 7227 1 18 . 1 1 74 74 HIS N N 74 120.202 120.202 124.711 -4.509 17606 7228 1 18 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.926 -0.724 17606 7229 1 18 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.136 0.899 17606 7230 1 18 . 1 1 74 74 HIS CB C 74 30.232 30.232 32.864 -2.632 17606 7231 1 18 . 1 1 74 74 HIS H H 74 8.189 8.189 8.573 -0.384 17606 7232 1 18 . 1 1 75 75 HIS N N 75 120.367 120.367 123.444 -3.077 17606 7233 1 18 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.392 0.031 17606 7234 1 18 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.913 -1.398 17606 7235 1 18 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.818 2.450 17606 7236 1 18 . 1 1 75 75 HIS H H 75 8.258 8.258 8.963 -0.705 17606 7237 1 19 . 1 1 2 2 ASP N N 2 121.539 121.539 124.948 -3.409 17606 7238 1 19 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.681 -0.126 17606 7239 1 19 . 1 1 2 2 ASP C C 2 176.030 176.030 174.452 1.578 17606 7240 1 19 . 1 1 2 2 ASP CA C 2 54.553 54.553 53.922 0.631 17606 7241 1 19 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.796 -0.492 17606 7242 1 19 . 1 1 2 2 ASP H H 2 8.515 8.515 8.364 0.151 17606 7243 1 19 . 1 1 3 3 MET N N 3 120.469 120.469 119.496 0.973 17606 7244 1 19 . 1 1 3 3 MET HA H 3 4.472 4.472 4.845 -0.373 17606 7245 1 19 . 1 1 3 3 MET C C 3 176.040 176.040 175.900 0.140 17606 7246 1 19 . 1 1 3 3 MET CA C 3 55.373 55.373 55.534 -0.161 17606 7247 1 19 . 1 1 3 3 MET CB C 3 33.196 33.196 33.787 -0.591 17606 7248 1 19 . 1 1 3 3 MET H H 3 8.340 8.340 8.214 0.126 17606 7249 1 19 . 1 1 4 4 GLU N N 4 123.512 123.512 124.289 -0.777 17606 7250 1 19 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.813 -0.275 17606 7251 1 19 . 1 1 4 4 GLU C C 4 174.592 174.592 174.762 -0.170 17606 7252 1 19 . 1 1 4 4 GLU CA C 4 54.554 54.554 53.524 1.030 17606 7253 1 19 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.434 -0.788 17606 7254 1 19 . 1 1 4 4 GLU H H 4 8.424 8.424 8.642 -0.218 17606 7255 1 19 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.484 -0.082 17606 7256 1 19 . 1 1 5 5 PRO C C 5 176.669 176.669 175.979 0.690 17606 7257 1 19 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.437 0.054 17606 7258 1 19 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.671 0.331 17606 7259 1 19 . 1 1 6 6 CYS N N 6 119.970 119.970 122.911 -2.941 17606 7260 1 19 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.723 -0.201 17606 7261 1 19 . 1 1 6 6 CYS C C 6 175.020 175.020 175.602 -0.582 17606 7262 1 19 . 1 1 6 6 CYS CA C 6 58.662 58.662 58.003 0.659 17606 7263 1 19 . 1 1 6 6 CYS CB C 6 27.638 27.638 31.691 -4.053 17606 7264 1 19 . 1 1 6 6 CYS H H 6 8.539 8.539 8.437 0.102 17606 7265 1 19 . 1 1 7 7 LEU N N 7 125.146 125.146 121.622 3.524 17606 7266 1 19 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.685 -0.252 17606 7267 1 19 . 1 1 7 7 LEU C C 7 178.244 178.244 176.652 1.592 17606 7268 1 19 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.335 -0.974 17606 7269 1 19 . 1 1 7 7 LEU CB C 7 42.687 42.687 41.663 1.024 17606 7270 1 19 . 1 1 7 7 LEU H H 7 8.649 8.649 8.693 -0.044 17606 7271 1 19 . 1 1 8 8 THR N N 8 116.760 116.760 116.619 0.141 17606 7272 1 19 . 1 1 8 8 THR HA H 8 3.966 3.966 4.327 -0.361 17606 7273 1 19 . 1 1 8 8 THR C C 8 175.108 175.108 175.768 -0.660 17606 7274 1 19 . 1 1 8 8 THR CA C 8 64.244 64.244 64.635 -0.391 17606 7275 1 19 . 1 1 8 8 THR CB C 8 69.071 69.071 68.570 0.500 17606 7276 1 19 . 1 1 8 8 THR H H 8 8.124 8.124 7.846 0.278 17606 7277 1 19 . 1 1 9 9 GLY N N 9 113.810 113.810 116.396 -2.586 17606 7278 1 19 . 1 1 9 9 GLY C C 9 174.510 174.510 174.489 0.021 17606 7279 1 19 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.173 -0.161 17606 7280 1 19 . 1 1 9 9 GLY H H 9 9.095 9.095 9.190 -0.095 17606 7281 1 19 . 1 1 10 10 THR N N 10 116.938 116.938 119.736 -2.798 17606 7282 1 19 . 1 1 10 10 THR HA H 10 4.179 4.179 4.314 -0.135 17606 7283 1 19 . 1 1 10 10 THR C C 10 173.450 173.450 173.614 -0.164 17606 7284 1 19 . 1 1 10 10 THR CA C 10 64.192 64.192 63.192 1.000 17606 7285 1 19 . 1 1 10 10 THR CB C 10 70.093 70.093 69.614 0.479 17606 7286 1 19 . 1 1 10 10 THR H H 10 8.002 8.002 7.800 0.202 17606 7287 1 19 . 1 1 11 11 LYS N N 11 127.263 127.263 127.521 -0.258 17606 7288 1 19 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.560 0.266 17606 7289 1 19 . 1 1 11 11 LYS C C 11 176.157 176.157 175.616 0.541 17606 7290 1 19 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.576 1.165 17606 7291 1 19 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.084 0.471 17606 7292 1 19 . 1 1 11 11 LYS H H 11 8.514 8.514 8.468 0.046 17606 7293 1 19 . 1 1 12 12 VAL N N 12 116.892 116.892 118.785 -1.893 17606 7294 1 19 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.298 0.292 17606 7295 1 19 . 1 1 12 12 VAL C C 12 174.476 174.476 173.980 0.496 17606 7296 1 19 . 1 1 12 12 VAL CA C 12 59.212 59.212 58.976 0.236 17606 7297 1 19 . 1 1 12 12 VAL CB C 12 35.544 35.544 34.408 1.136 17606 7298 1 19 . 1 1 12 12 VAL H H 12 8.738 8.738 8.733 0.005 17606 7299 1 19 . 1 1 13 13 LYS N N 13 118.427 118.427 119.882 -1.455 17606 7300 1 19 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.761 0.362 17606 7301 1 19 . 1 1 13 13 LYS C C 13 174.853 174.853 174.918 -0.065 17606 7302 1 19 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.873 0.110 17606 7303 1 19 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.938 -0.151 17606 7304 1 19 . 1 1 13 13 LYS H H 13 7.677 7.677 8.348 -0.671 17606 7305 1 19 . 1 1 14 14 VAL N N 14 120.913 120.913 124.797 -3.884 17606 7306 1 19 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.674 0.152 17606 7307 1 19 . 1 1 14 14 VAL C C 14 175.645 175.645 174.205 1.440 17606 7308 1 19 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.532 -0.141 17606 7309 1 19 . 1 1 14 14 VAL CB C 14 36.027 36.027 34.386 1.641 17606 7310 1 19 . 1 1 14 14 VAL H H 14 9.178 9.178 9.350 -0.172 17606 7311 1 19 . 1 1 15 15 LYS N N 15 125.862 125.862 128.114 -2.252 17606 7312 1 19 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.534 0.048 17606 7313 1 19 . 1 1 15 15 LYS C C 15 175.430 175.430 174.386 1.044 17606 7314 1 19 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.108 1.583 17606 7315 1 19 . 1 1 15 15 LYS CB C 15 33.764 33.764 33.897 -0.133 17606 7316 1 19 . 1 1 15 15 LYS H H 15 9.010 9.010 8.992 0.018 17606 7317 1 19 . 1 1 16 16 TYR N N 16 127.499 127.499 128.159 -0.660 17606 7318 1 19 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.651 -0.013 17606 7319 1 19 . 1 1 16 16 TYR C C 16 175.096 175.096 173.831 1.265 17606 7320 1 19 . 1 1 16 16 TYR CA C 16 58.348 58.348 56.469 1.879 17606 7321 1 19 . 1 1 16 16 TYR CB C 16 42.493 42.493 40.758 1.735 17606 7322 1 19 . 1 1 16 16 TYR H H 16 9.305 9.305 8.479 0.826 17606 7323 1 19 . 1 1 17 17 GLY N N 17 115.501 115.501 114.196 1.305 17606 7324 1 19 . 1 1 17 17 GLY C C 17 173.380 173.380 171.921 1.459 17606 7325 1 19 . 1 1 17 17 GLY CA C 17 44.216 44.216 44.210 0.006 17606 7326 1 19 . 1 1 17 17 GLY H H 17 8.383 8.383 8.411 -0.028 17606 7327 1 19 . 1 1 18 18 ARG N N 18 117.847 117.847 125.467 -7.620 17606 7328 1 19 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.501 0.104 17606 7329 1 19 . 1 1 18 18 ARG C C 18 175.941 175.941 176.615 -0.674 17606 7330 1 19 . 1 1 18 18 ARG CA C 18 55.340 55.340 55.218 0.122 17606 7331 1 19 . 1 1 18 18 ARG CB C 18 33.186 33.186 32.026 1.161 17606 7332 1 19 . 1 1 18 18 ARG H H 18 8.305 8.305 8.364 -0.059 17606 7333 1 19 . 1 1 19 19 GLY N N 19 110.572 110.572 116.435 -5.863 17606 7334 1 19 . 1 1 19 19 GLY C C 19 176.227 176.227 174.644 1.583 17606 7335 1 19 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.890 -1.000 17606 7336 1 19 . 1 1 19 19 GLY H H 19 8.857 8.857 8.577 0.280 17606 7337 1 19 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.404 -0.220 17606 7338 1 19 . 1 1 20 20 LYS C C 20 177.694 177.694 177.729 -0.035 17606 7339 1 19 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.058 1.321 17606 7340 1 19 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.867 -0.374 17606 7341 1 19 . 1 1 20 20 LYS H H 20 6.723 6.723 8.359 -1.636 17606 7342 1 19 . 1 1 21 21 THR N N 21 108.329 108.329 114.474 -6.145 17606 7343 1 19 . 1 1 21 21 THR HA H 21 4.437 4.437 4.394 0.043 17606 7344 1 19 . 1 1 21 21 THR C C 21 173.999 173.999 173.348 0.651 17606 7345 1 19 . 1 1 21 21 THR CA C 21 60.895 60.895 62.053 -1.158 17606 7346 1 19 . 1 1 21 21 THR CB C 21 68.907 68.907 68.346 0.561 17606 7347 1 19 . 1 1 21 21 THR H H 21 7.839 7.839 7.986 -0.147 17606 7348 1 19 . 1 1 22 22 GLN N N 22 123.126 123.126 121.884 1.242 17606 7349 1 19 . 1 1 22 22 GLN HA H 22 4.430 4.430 5.027 -0.597 17606 7350 1 19 . 1 1 22 22 GLN C C 22 175.190 175.190 175.444 -0.254 17606 7351 1 19 . 1 1 22 22 GLN CA C 22 56.795 56.795 56.164 0.631 17606 7352 1 19 . 1 1 22 22 GLN CB C 22 31.031 31.031 30.385 0.646 17606 7353 1 19 . 1 1 22 22 GLN H H 22 7.503 7.503 7.266 0.237 17606 7354 1 19 . 1 1 23 23 LYS N N 23 126.763 126.763 123.793 2.970 17606 7355 1 19 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.570 -0.033 17606 7356 1 19 . 1 1 23 23 LYS C C 23 174.087 174.087 173.806 0.281 17606 7357 1 19 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.532 -0.088 17606 7358 1 19 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.144 1.351 17606 7359 1 19 . 1 1 23 23 LYS H H 23 8.937 8.937 8.733 0.204 17606 7360 1 19 . 1 1 24 24 ILE N N 24 120.287 120.287 121.486 -1.199 17606 7361 1 19 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.849 -0.099 17606 7362 1 19 . 1 1 24 24 ILE C C 24 175.772 175.772 175.684 0.088 17606 7363 1 19 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.731 0.189 17606 7364 1 19 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.525 -0.271 17606 7365 1 19 . 1 1 24 24 ILE H H 24 7.980 7.980 8.433 -0.453 17606 7366 1 19 . 1 1 25 25 TYR N N 25 126.020 126.020 125.338 0.682 17606 7367 1 19 . 1 1 25 25 TYR HA H 25 5.071 5.071 5.085 -0.013 17606 7368 1 19 . 1 1 25 25 TYR C C 25 175.859 175.859 173.634 2.225 17606 7369 1 19 . 1 1 25 25 TYR CA C 25 55.860 55.860 54.560 1.300 17606 7370 1 19 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.183 2.284 17606 7371 1 19 . 1 1 25 25 TYR H H 25 8.885 8.885 9.106 -0.221 17606 7372 1 19 . 1 1 26 26 GLU N N 26 121.186 121.186 120.002 1.184 17606 7373 1 19 . 1 1 26 26 GLU HA H 26 4.642 4.642 4.995 -0.353 17606 7374 1 19 . 1 1 26 26 GLU C C 26 176.001 176.001 175.246 0.755 17606 7375 1 19 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.011 2.117 17606 7376 1 19 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.874 -1.151 17606 7377 1 19 . 1 1 26 26 GLU H H 26 8.915 8.915 8.767 0.148 17606 7378 1 19 . 1 1 27 27 ALA N N 27 125.281 125.281 125.774 -0.493 17606 7379 1 19 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.182 0.788 17606 7380 1 19 . 1 1 27 27 ALA C C 27 175.178 175.178 174.747 0.431 17606 7381 1 19 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.494 0.821 17606 7382 1 19 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.322 2.333 17606 7383 1 19 . 1 1 27 27 ALA H H 27 8.834 8.834 8.467 0.367 17606 7384 1 19 . 1 1 28 28 SER N N 28 112.133 112.133 114.466 -2.333 17606 7385 1 19 . 1 1 28 28 SER HA H 28 5.328 5.328 5.123 0.205 17606 7386 1 19 . 1 1 28 28 SER C C 28 174.404 174.404 174.021 0.383 17606 7387 1 19 . 1 1 28 28 SER CA C 28 56.133 56.133 56.583 -0.450 17606 7388 1 19 . 1 1 28 28 SER CB C 28 66.075 66.075 64.291 1.784 17606 7389 1 19 . 1 1 28 28 SER H H 28 8.529 8.529 8.224 0.305 17606 7390 1 19 . 1 1 29 29 ILE N N 29 122.044 122.044 124.808 -2.764 17606 7391 1 19 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.877 0.265 17606 7392 1 19 . 1 1 29 29 ILE C C 29 176.473 176.473 176.072 0.401 17606 7393 1 19 . 1 1 29 29 ILE CA C 29 61.561 61.561 61.062 0.499 17606 7394 1 19 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.299 1.725 17606 7395 1 19 . 1 1 29 29 ILE H H 29 8.431 8.431 8.800 -0.369 17606 7396 1 19 . 1 1 30 30 LYS N N 30 128.795 128.795 129.835 -1.040 17606 7397 1 19 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.506 -0.096 17606 7398 1 19 . 1 1 30 30 LYS C C 30 176.559 176.559 176.336 0.223 17606 7399 1 19 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.360 0.649 17606 7400 1 19 . 1 1 30 30 LYS CB C 30 33.881 33.881 35.179 -1.298 17606 7401 1 19 . 1 1 30 30 LYS H H 30 9.687 9.687 8.699 0.988 17606 7402 1 19 . 1 1 31 31 SER N N 31 111.044 111.044 112.207 -1.163 17606 7403 1 19 . 1 1 31 31 SER HA H 31 4.671 4.671 4.738 -0.067 17606 7404 1 19 . 1 1 31 31 SER C C 31 172.457 172.457 172.222 0.235 17606 7405 1 19 . 1 1 31 31 SER CA C 31 57.353 57.353 57.618 -0.265 17606 7406 1 19 . 1 1 31 31 SER CB C 31 64.824 64.824 66.156 -1.331 17606 7407 1 19 . 1 1 31 31 SER H H 31 7.537 7.537 8.179 -0.642 17606 7408 1 19 . 1 1 32 32 THR N N 32 113.911 113.911 116.904 -2.993 17606 7409 1 19 . 1 1 32 32 THR HA H 32 5.564 5.564 4.815 0.749 17606 7410 1 19 . 1 1 32 32 THR C C 32 173.003 173.003 173.510 -0.507 17606 7411 1 19 . 1 1 32 32 THR CA C 32 60.589 60.589 61.127 -0.538 17606 7412 1 19 . 1 1 32 32 THR CB C 32 72.217 72.217 70.828 1.389 17606 7413 1 19 . 1 1 32 32 THR H H 32 8.237 8.237 8.384 -0.147 17606 7414 1 19 . 1 1 33 33 GLU N N 33 123.514 123.514 123.757 -0.243 17606 7415 1 19 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.694 -0.066 17606 7416 1 19 . 1 1 33 33 GLU C C 33 173.487 173.487 174.823 -1.336 17606 7417 1 19 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.168 0.288 17606 7418 1 19 . 1 1 33 33 GLU CB C 33 34.099 34.099 34.229 -0.130 17606 7419 1 19 . 1 1 33 33 GLU H H 33 8.970 8.970 9.070 -0.100 17606 7420 1 19 . 1 1 34 34 ILE N N 34 122.095 122.095 121.107 0.988 17606 7421 1 19 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.835 -0.100 17606 7422 1 19 . 1 1 34 34 ILE C C 34 175.620 175.620 175.252 0.368 17606 7423 1 19 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.009 0.038 17606 7424 1 19 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.316 -0.659 17606 7425 1 19 . 1 1 34 34 ILE H H 34 8.505 8.505 8.579 -0.074 17606 7426 1 19 . 1 1 35 35 ASP N N 35 127.840 127.840 127.661 0.179 17606 7427 1 19 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.862 -0.089 17606 7428 1 19 . 1 1 35 35 ASP C C 35 175.804 175.804 175.569 0.235 17606 7429 1 19 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.530 -0.295 17606 7430 1 19 . 1 1 35 35 ASP CB C 35 43.419 43.419 44.007 -0.588 17606 7431 1 19 . 1 1 35 35 ASP H H 35 8.948 8.948 9.163 -0.215 17606 7432 1 19 . 1 1 36 36 ASP N N 36 127.315 127.315 126.143 1.172 17606 7433 1 19 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.317 -0.054 17606 7434 1 19 . 1 1 36 36 ASP C C 36 175.993 175.993 176.295 -0.302 17606 7435 1 19 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.490 0.630 17606 7436 1 19 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.555 -0.896 17606 7437 1 19 . 1 1 36 36 ASP H H 36 9.065 9.065 8.806 0.259 17606 7438 1 19 . 1 1 37 37 GLY N N 37 103.112 103.112 104.030 -0.918 17606 7439 1 19 . 1 1 37 37 GLY C C 37 173.541 173.541 173.702 -0.161 17606 7440 1 19 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.016 0.455 17606 7441 1 19 . 1 1 37 37 GLY H H 37 8.045 8.045 8.266 -0.221 17606 7442 1 19 . 1 1 38 38 GLU N N 38 121.172 121.172 120.099 1.073 17606 7443 1 19 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.728 -0.077 17606 7444 1 19 . 1 1 38 38 GLU C C 38 174.246 174.246 175.136 -0.890 17606 7445 1 19 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.514 0.205 17606 7446 1 19 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.258 -0.052 17606 7447 1 19 . 1 1 38 38 GLU H H 38 7.769 7.769 7.831 -0.062 17606 7448 1 19 . 1 1 39 39 VAL N N 39 123.983 123.983 122.111 1.872 17606 7449 1 19 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.793 -0.583 17606 7450 1 19 . 1 1 39 39 VAL C C 39 174.546 174.546 175.211 -0.665 17606 7451 1 19 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.853 1.188 17606 7452 1 19 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.281 -0.012 17606 7453 1 19 . 1 1 39 39 VAL H H 39 8.455 8.455 8.666 -0.211 17606 7454 1 19 . 1 1 40 40 LEU N N 40 127.105 127.105 127.013 0.092 17606 7455 1 19 . 1 1 40 40 LEU HA H 40 5.092 5.092 4.980 0.112 17606 7456 1 19 . 1 1 40 40 LEU C C 40 175.819 175.819 175.211 0.608 17606 7457 1 19 . 1 1 40 40 LEU CA C 40 53.253 53.253 54.097 -0.845 17606 7458 1 19 . 1 1 40 40 LEU CB C 40 46.490 46.490 46.091 0.399 17606 7459 1 19 . 1 1 40 40 LEU H H 40 8.947 8.947 9.194 -0.247 17606 7460 1 19 . 1 1 41 41 TYR N N 41 119.021 119.021 118.473 0.548 17606 7461 1 19 . 1 1 41 41 TYR HA H 41 5.107 5.107 5.020 0.087 17606 7462 1 19 . 1 1 41 41 TYR C C 41 173.968 173.968 174.317 -0.349 17606 7463 1 19 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.013 -0.157 17606 7464 1 19 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.565 -0.423 17606 7465 1 19 . 1 1 41 41 TYR H H 41 9.337 9.337 9.444 -0.107 17606 7466 1 19 . 1 1 42 42 LEU N N 42 128.770 128.770 124.454 4.316 17606 7467 1 19 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.692 -0.719 17606 7468 1 19 . 1 1 42 42 LEU C C 42 175.491 175.491 175.001 0.490 17606 7469 1 19 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.613 0.754 17606 7470 1 19 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.993 -3.297 17606 7471 1 19 . 1 1 42 42 LEU H H 42 8.304 8.304 8.895 -0.591 17606 7472 1 19 . 1 1 43 43 VAL N N 43 121.269 121.269 121.728 -0.459 17606 7473 1 19 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.852 0.128 17606 7474 1 19 . 1 1 43 43 VAL C C 43 173.257 173.257 173.732 -0.475 17606 7475 1 19 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.050 -0.739 17606 7476 1 19 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.633 -0.579 17606 7477 1 19 . 1 1 43 43 VAL H H 43 8.847 8.847 8.945 -0.098 17606 7478 1 19 . 1 1 44 44 HIS N N 44 118.126 118.126 119.604 -1.478 17606 7479 1 19 . 1 1 44 44 HIS C C 44 174.272 174.272 174.021 0.251 17606 7480 1 19 . 1 1 44 44 HIS CA C 44 53.319 53.319 53.155 0.164 17606 7481 1 19 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.081 -1.065 17606 7482 1 19 . 1 1 44 44 HIS H H 44 8.286 8.286 9.022 -0.736 17606 7483 1 19 . 1 1 45 45 TYR N N 45 127.711 127.711 125.467 2.244 17606 7484 1 19 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.029 0.070 17606 7485 1 19 . 1 1 45 45 TYR C C 45 175.343 175.343 175.916 -0.573 17606 7486 1 19 . 1 1 45 45 TYR CA C 45 58.240 58.240 59.641 -1.401 17606 7487 1 19 . 1 1 45 45 TYR CB C 45 37.500 37.500 36.397 1.103 17606 7488 1 19 . 1 1 45 45 TYR H H 45 8.013 8.013 8.933 -0.920 17606 7489 1 19 . 1 1 46 46 TYR N N 46 121.373 121.373 121.361 0.012 17606 7490 1 19 . 1 1 46 46 TYR HA H 46 4.214 4.214 3.752 0.462 17606 7491 1 19 . 1 1 46 46 TYR CA C 46 58.945 58.945 60.719 -1.774 17606 7492 1 19 . 1 1 46 46 TYR CB C 46 38.400 38.400 36.541 1.859 17606 7493 1 19 . 1 1 46 46 TYR H H 46 7.842 7.842 7.806 0.036 17606 7494 1 19 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.413 -0.266 17606 7495 1 19 . 1 1 48 48 TRP N N 48 121.413 121.413 118.564 2.849 17606 7496 1 19 . 1 1 48 48 TRP CA C 48 55.966 55.966 55.716 0.250 17606 7497 1 19 . 1 1 48 48 TRP CB C 48 30.399 30.399 31.905 -1.506 17606 7498 1 19 . 1 1 48 48 TRP H H 48 8.105 8.105 7.914 0.191 17606 7499 1 19 . 1 1 50 50 VAL HA H 50 4.174 4.174 3.933 0.241 17606 7500 1 19 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.773 -1.890 17606 7501 1 19 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.513 -0.289 17606 7502 1 19 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.092 0.026 17606 7503 1 19 . 1 1 51 51 ARG C C 51 176.010 176.010 175.582 0.428 17606 7504 1 19 . 1 1 51 51 ARG CA C 51 57.004 57.004 57.259 -0.255 17606 7505 1 19 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.912 -0.978 17606 7506 1 19 . 1 1 52 52 TYR N N 52 119.263 119.263 116.740 2.523 17606 7507 1 19 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.754 -0.118 17606 7508 1 19 . 1 1 52 52 TYR CA C 52 58.000 58.000 56.981 1.018 17606 7509 1 19 . 1 1 52 52 TYR CB C 52 38.804 38.804 39.369 -0.565 17606 7510 1 19 . 1 1 52 52 TYR H H 52 7.860 7.860 7.988 -0.128 17606 7511 1 19 . 1 1 53 53 ASP N N 53 122.103 122.103 117.416 4.687 17606 7512 1 19 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.398 0.579 17606 7513 1 19 . 1 1 53 53 ASP CA C 53 55.272 55.272 56.134 -0.862 17606 7514 1 19 . 1 1 53 53 ASP CB C 53 40.304 40.304 40.793 -0.489 17606 7515 1 19 . 1 1 53 53 ASP H H 53 8.014 8.014 8.060 -0.046 17606 7516 1 19 . 1 1 54 54 GLU N N 54 119.733 119.733 119.296 0.437 17606 7517 1 19 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.798 -0.025 17606 7518 1 19 . 1 1 54 54 GLU C C 54 174.099 174.099 174.561 -0.462 17606 7519 1 19 . 1 1 54 54 GLU CA C 54 54.878 54.878 55.646 -0.768 17606 7520 1 19 . 1 1 54 54 GLU CB C 54 34.131 34.131 34.004 0.127 17606 7521 1 19 . 1 1 54 54 GLU H H 54 8.018 8.018 8.191 -0.173 17606 7522 1 19 . 1 1 55 55 TRP N N 55 124.675 124.675 124.677 -0.002 17606 7523 1 19 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.837 -0.593 17606 7524 1 19 . 1 1 55 55 TRP C C 55 177.088 177.088 176.451 0.637 17606 7525 1 19 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.320 0.069 17606 7526 1 19 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.895 -1.482 17606 7527 1 19 . 1 1 55 55 TRP H H 55 8.760 8.760 8.867 -0.107 17606 7528 1 19 . 1 1 56 56 VAL N N 56 119.873 119.873 117.930 1.943 17606 7529 1 19 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.714 0.210 17606 7530 1 19 . 1 1 56 56 VAL C C 56 174.866 174.866 173.904 0.962 17606 7531 1 19 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.880 0.088 17606 7532 1 19 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.223 0.638 17606 7533 1 19 . 1 1 56 56 VAL H H 56 10.006 10.006 9.007 0.999 17606 7534 1 19 . 1 1 57 57 LYS N N 57 120.466 120.466 124.204 -3.738 17606 7535 1 19 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.511 0.354 17606 7536 1 19 . 1 1 57 57 LYS C C 57 178.120 178.120 177.807 0.313 17606 7537 1 19 . 1 1 57 57 LYS CA C 57 56.441 56.441 56.261 0.180 17606 7538 1 19 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.121 0.063 17606 7539 1 19 . 1 1 57 57 LYS H H 57 8.361 8.361 8.450 -0.089 17606 7540 1 19 . 1 1 58 58 ALA N N 58 120.318 120.318 126.251 -5.933 17606 7541 1 19 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.148 0.006 17606 7542 1 19 . 1 1 58 58 ALA C C 58 179.508 179.508 179.485 0.023 17606 7543 1 19 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.581 0.108 17606 7544 1 19 . 1 1 58 58 ALA CB C 58 19.474 19.474 19.064 0.410 17606 7545 1 19 . 1 1 58 58 ALA H H 58 9.064 9.064 8.611 0.453 17606 7546 1 19 . 1 1 59 59 ASP N N 59 113.824 113.824 116.081 -2.257 17606 7547 1 19 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.550 -0.013 17606 7548 1 19 . 1 1 59 59 ASP C C 59 177.499 177.499 177.341 0.158 17606 7549 1 19 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.305 -0.652 17606 7550 1 19 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.618 -0.884 17606 7551 1 19 . 1 1 59 59 ASP H H 59 8.256 8.256 8.613 -0.357 17606 7552 1 19 . 1 1 60 60 ARG N N 60 118.041 118.041 117.363 0.678 17606 7553 1 19 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.499 -0.208 17606 7554 1 19 . 1 1 60 60 ARG C C 60 174.918 174.918 174.661 0.257 17606 7555 1 19 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.610 0.534 17606 7556 1 19 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.898 0.111 17606 7557 1 19 . 1 1 60 60 ARG H H 60 7.931 7.931 7.932 -0.001 17606 7558 1 19 . 1 1 61 61 ILE N N 61 118.787 118.787 120.562 -1.775 17606 7559 1 19 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.738 -0.621 17606 7560 1 19 . 1 1 61 61 ILE C C 61 175.243 175.243 175.402 -0.159 17606 7561 1 19 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.022 0.391 17606 7562 1 19 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.633 -2.205 17606 7563 1 19 . 1 1 61 61 ILE H H 61 7.463 7.463 7.444 0.019 17606 7564 1 19 . 1 1 62 62 ILE N N 62 127.975 127.975 126.144 1.831 17606 7565 1 19 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.426 -0.270 17606 7566 1 19 . 1 1 62 62 ILE C C 62 175.867 175.867 174.915 0.952 17606 7567 1 19 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.834 0.602 17606 7568 1 19 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.445 -0.126 17606 7569 1 19 . 1 1 62 62 ILE H H 62 8.773 8.773 8.987 -0.214 17606 7570 1 19 . 1 1 63 63 TRP N N 63 131.233 131.233 130.019 1.214 17606 7571 1 19 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.826 -0.264 17606 7572 1 19 . 1 1 63 63 TRP C C 63 174.859 174.859 174.839 0.020 17606 7573 1 19 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.698 -0.156 17606 7574 1 19 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.799 -1.140 17606 7575 1 19 . 1 1 63 63 TRP H H 63 8.506 8.506 8.605 -0.099 17606 7576 1 19 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.462 0.087 17606 7577 1 19 . 1 1 64 64 PRO C C 64 176.966 176.966 175.626 1.340 17606 7578 1 19 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.573 -0.442 17606 7579 1 19 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.912 0.113 17606 7580 1 19 . 1 1 65 65 LEU N N 65 121.886 121.886 124.419 -2.533 17606 7581 1 19 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.645 -0.312 17606 7582 1 19 . 1 1 65 65 LEU C C 65 177.243 177.243 175.626 1.617 17606 7583 1 19 . 1 1 65 65 LEU CA C 65 55.492 55.492 53.445 2.047 17606 7584 1 19 . 1 1 65 65 LEU CB C 65 42.370 42.370 45.544 -3.174 17606 7585 1 19 . 1 1 65 65 LEU H H 65 8.426 8.426 7.796 0.630 17606 7586 1 19 . 1 1 66 66 ASP N N 66 120.509 120.509 121.005 -0.496 17606 7587 1 19 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.543 0.035 17606 7588 1 19 . 1 1 66 66 ASP C C 66 176.402 176.402 175.774 0.628 17606 7589 1 19 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.026 -0.777 17606 7590 1 19 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.061 1.095 17606 7591 1 19 . 1 1 66 66 ASP H H 66 8.348 8.348 8.482 -0.134 17606 7592 1 19 . 1 1 67 67 LYS N N 67 121.925 121.925 124.375 -2.450 17606 7593 1 19 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.592 -0.314 17606 7594 1 19 . 1 1 67 67 LYS C C 67 177.158 177.158 176.579 0.579 17606 7595 1 19 . 1 1 67 67 LYS CA C 67 56.599 56.599 55.486 1.113 17606 7596 1 19 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.140 0.613 17606 7597 1 19 . 1 1 67 67 LYS H H 67 8.327 8.327 8.227 0.100 17606 7598 1 19 . 1 1 68 68 GLY N N 68 109.417 109.417 107.811 1.606 17606 7599 1 19 . 1 1 68 68 GLY C C 68 174.413 174.413 173.726 0.687 17606 7600 1 19 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.863 0.760 17606 7601 1 19 . 1 1 68 68 GLY H H 68 8.558 8.558 8.378 0.180 17606 7602 1 19 . 1 1 69 69 LEU N N 69 120.937 120.937 121.246 -0.309 17606 7603 1 19 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.762 -0.507 17606 7604 1 19 . 1 1 69 69 LEU C C 69 177.559 177.559 176.249 1.310 17606 7605 1 19 . 1 1 69 69 LEU CA C 69 55.326 55.326 53.982 1.344 17606 7606 1 19 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.800 0.369 17606 7607 1 19 . 1 1 69 69 LEU H H 69 7.972 7.972 7.861 0.111 17606 7608 1 19 . 1 1 70 70 GLU N N 70 120.764 120.764 123.102 -2.338 17606 7609 1 19 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.540 -0.414 17606 7610 1 19 . 1 1 70 70 GLU C C 70 176.435 176.435 176.968 -0.533 17606 7611 1 19 . 1 1 70 70 GLU CA C 70 57.150 57.150 57.507 -0.357 17606 7612 1 19 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.422 -0.563 17606 7613 1 19 . 1 1 70 70 GLU H H 70 8.443 8.443 9.034 -0.591 17606 7614 1 19 . 1 1 71 71 HIS N N 71 119.554 119.554 117.688 1.866 17606 7615 1 19 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.800 -0.202 17606 7616 1 19 . 1 1 71 71 HIS C C 71 174.001 174.001 174.748 -0.747 17606 7617 1 19 . 1 1 71 71 HIS CA C 71 56.078 56.078 54.498 1.580 17606 7618 1 19 . 1 1 71 71 HIS CB C 71 30.551 30.551 31.674 -1.123 17606 7619 1 19 . 1 1 71 71 HIS H H 71 8.223 8.223 7.833 0.390 17606 7620 1 19 . 1 1 72 72 HIS N N 72 125.509 125.509 119.606 5.903 17606 7621 1 19 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.552 -0.138 17606 7622 1 19 . 1 1 72 72 HIS C C 72 179.225 179.225 175.223 4.002 17606 7623 1 19 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.770 -0.407 17606 7624 1 19 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.084 0.366 17606 7625 1 19 . 1 1 72 72 HIS H H 72 8.101 8.101 8.901 -0.800 17606 7626 1 19 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.324 0.221 17606 7627 1 19 . 1 1 73 73 HIS CA C 73 56.078 56.078 57.376 -1.298 17606 7628 1 19 . 1 1 73 73 HIS CB C 73 30.551 30.551 28.069 2.482 17606 7629 1 19 . 1 1 74 74 HIS N N 74 120.202 120.202 118.194 2.008 17606 7630 1 19 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.777 -0.575 17606 7631 1 19 . 1 1 74 74 HIS CA C 74 56.035 56.035 55.787 0.248 17606 7632 1 19 . 1 1 74 74 HIS CB C 74 30.232 30.232 31.220 -0.988 17606 7633 1 19 . 1 1 74 74 HIS H H 74 8.189 8.189 8.265 -0.076 17606 7634 1 19 . 1 1 75 75 HIS N N 75 120.367 120.367 124.271 -3.904 17606 7635 1 19 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.843 -0.420 17606 7636 1 19 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.451 -0.936 17606 7637 1 19 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.907 2.361 17606 7638 1 19 . 1 1 75 75 HIS H H 75 8.258 8.258 8.604 -0.346 17606 7639 1 20 . 1 1 2 2 ASP N N 2 121.539 121.539 121.420 0.119 17606 7640 1 20 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.492 0.063 17606 7641 1 20 . 1 1 2 2 ASP C C 2 176.030 176.030 175.129 0.901 17606 7642 1 20 . 1 1 2 2 ASP CA C 2 54.553 54.553 55.099 -0.546 17606 7643 1 20 . 1 1 2 2 ASP CB C 2 41.304 41.304 40.667 0.637 17606 7644 1 20 . 1 1 2 2 ASP H H 2 8.515 8.515 8.150 0.365 17606 7645 1 20 . 1 1 3 3 MET N N 3 120.469 120.469 116.271 4.198 17606 7646 1 20 . 1 1 3 3 MET HA H 3 4.472 4.472 4.649 -0.177 17606 7647 1 20 . 1 1 3 3 MET C C 3 176.040 176.040 174.829 1.211 17606 7648 1 20 . 1 1 3 3 MET CA C 3 55.373 55.373 54.934 0.440 17606 7649 1 20 . 1 1 3 3 MET CB C 3 33.196 33.196 34.503 -1.307 17606 7650 1 20 . 1 1 3 3 MET H H 3 8.340 8.340 7.751 0.589 17606 7651 1 20 . 1 1 4 4 GLU N N 4 123.512 123.512 121.495 2.017 17606 7652 1 20 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.737 -0.199 17606 7653 1 20 . 1 1 4 4 GLU C C 4 174.592 174.592 174.758 -0.166 17606 7654 1 20 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.233 0.321 17606 7655 1 20 . 1 1 4 4 GLU CB C 4 29.646 29.646 30.110 -0.464 17606 7656 1 20 . 1 1 4 4 GLU H H 4 8.424 8.424 8.460 -0.036 17606 7657 1 20 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.347 0.055 17606 7658 1 20 . 1 1 5 5 PRO C C 5 176.669 176.669 176.459 0.210 17606 7659 1 20 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.134 0.357 17606 7660 1 20 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.177 0.825 17606 7661 1 20 . 1 1 6 6 CYS N N 6 119.970 119.970 119.688 0.282 17606 7662 1 20 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.175 0.347 17606 7663 1 20 . 1 1 6 6 CYS C C 6 175.020 175.020 174.912 0.108 17606 7664 1 20 . 1 1 6 6 CYS CA C 6 58.662 58.662 59.583 -0.921 17606 7665 1 20 . 1 1 6 6 CYS CB C 6 27.638 27.638 27.120 0.518 17606 7666 1 20 . 1 1 6 6 CYS H H 6 8.539 8.539 8.268 0.271 17606 7667 1 20 . 1 1 7 7 LEU N N 7 125.146 125.146 115.755 9.391 17606 7668 1 20 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.440 -0.007 17606 7669 1 20 . 1 1 7 7 LEU C C 7 178.244 178.244 177.433 0.811 17606 7670 1 20 . 1 1 7 7 LEU CA C 7 55.361 55.361 56.679 -1.318 17606 7671 1 20 . 1 1 7 7 LEU CB C 7 42.687 42.687 41.593 1.093 17606 7672 1 20 . 1 1 7 7 LEU H H 7 8.649 8.649 8.405 0.244 17606 7673 1 20 . 1 1 8 8 THR N N 8 116.760 116.760 116.153 0.607 17606 7674 1 20 . 1 1 8 8 THR HA H 8 3.966 3.966 4.544 -0.578 17606 7675 1 20 . 1 1 8 8 THR C C 8 175.108 175.108 175.994 -0.886 17606 7676 1 20 . 1 1 8 8 THR CA C 8 64.244 64.244 64.290 -0.046 17606 7677 1 20 . 1 1 8 8 THR CB C 8 69.071 69.071 68.255 0.816 17606 7678 1 20 . 1 1 8 8 THR H H 8 8.124 8.124 7.619 0.505 17606 7679 1 20 . 1 1 9 9 GLY N N 9 113.810 113.810 116.341 -2.531 17606 7680 1 20 . 1 1 9 9 GLY C C 9 174.510 174.510 174.637 -0.127 17606 7681 1 20 . 1 1 9 9 GLY CA C 9 45.012 45.012 44.857 0.155 17606 7682 1 20 . 1 1 9 9 GLY H H 9 9.095 9.095 8.848 0.247 17606 7683 1 20 . 1 1 10 10 THR N N 10 116.938 116.938 120.685 -3.747 17606 7684 1 20 . 1 1 10 10 THR HA H 10 4.179 4.179 4.394 -0.215 17606 7685 1 20 . 1 1 10 10 THR C C 10 173.450 173.450 174.025 -0.575 17606 7686 1 20 . 1 1 10 10 THR CA C 10 64.192 64.192 63.644 0.548 17606 7687 1 20 . 1 1 10 10 THR CB C 10 70.093 70.093 69.511 0.582 17606 7688 1 20 . 1 1 10 10 THR H H 10 8.002 8.002 7.762 0.240 17606 7689 1 20 . 1 1 11 11 LYS N N 11 127.263 127.263 127.686 -0.423 17606 7690 1 20 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.947 -0.121 17606 7691 1 20 . 1 1 11 11 LYS C C 11 176.157 176.157 175.959 0.198 17606 7692 1 20 . 1 1 11 11 LYS CA C 11 56.741 56.741 54.938 1.803 17606 7693 1 20 . 1 1 11 11 LYS CB C 11 32.555 32.555 33.784 -1.229 17606 7694 1 20 . 1 1 11 11 LYS H H 11 8.514 8.514 8.409 0.105 17606 7695 1 20 . 1 1 12 12 VAL N N 12 116.892 116.892 114.371 2.521 17606 7696 1 20 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.554 0.036 17606 7697 1 20 . 1 1 12 12 VAL C C 12 174.476 174.476 174.165 0.311 17606 7698 1 20 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.014 0.198 17606 7699 1 20 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.242 0.302 17606 7700 1 20 . 1 1 12 12 VAL H H 12 8.738 8.738 9.006 -0.268 17606 7701 1 20 . 1 1 13 13 LYS N N 13 118.427 118.427 120.305 -1.878 17606 7702 1 20 . 1 1 13 13 LYS HA H 13 5.123 5.123 5.243 -0.120 17606 7703 1 20 . 1 1 13 13 LYS C C 13 174.853 174.853 175.399 -0.546 17606 7704 1 20 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.219 0.764 17606 7705 1 20 . 1 1 13 13 LYS CB C 13 35.787 35.787 34.664 1.123 17606 7706 1 20 . 1 1 13 13 LYS H H 13 7.677 7.677 8.242 -0.565 17606 7707 1 20 . 1 1 14 14 VAL N N 14 120.913 120.913 123.927 -3.014 17606 7708 1 20 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.743 0.083 17606 7709 1 20 . 1 1 14 14 VAL C C 14 175.645 175.645 174.625 1.020 17606 7710 1 20 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.535 -0.145 17606 7711 1 20 . 1 1 14 14 VAL CB C 14 36.027 36.027 33.908 2.119 17606 7712 1 20 . 1 1 14 14 VAL H H 14 9.178 9.178 9.277 -0.099 17606 7713 1 20 . 1 1 15 15 LYS N N 15 125.862 125.862 129.407 -3.545 17606 7714 1 20 . 1 1 15 15 LYS HA H 15 4.582 4.582 5.028 -0.446 17606 7715 1 20 . 1 1 15 15 LYS C C 15 175.430 175.430 174.545 0.885 17606 7716 1 20 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.087 1.604 17606 7717 1 20 . 1 1 15 15 LYS CB C 15 33.764 33.764 33.708 0.056 17606 7718 1 20 . 1 1 15 15 LYS H H 15 9.010 9.010 9.234 -0.224 17606 7719 1 20 . 1 1 16 16 TYR N N 16 127.499 127.499 127.818 -0.319 17606 7720 1 20 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.750 -0.112 17606 7721 1 20 . 1 1 16 16 TYR C C 16 175.096 175.096 173.828 1.268 17606 7722 1 20 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.862 0.486 17606 7723 1 20 . 1 1 16 16 TYR CB C 16 42.493 42.493 42.501 -0.008 17606 7724 1 20 . 1 1 16 16 TYR H H 16 9.305 9.305 9.448 -0.143 17606 7725 1 20 . 1 1 17 17 GLY N N 17 115.501 115.501 114.668 0.833 17606 7726 1 20 . 1 1 17 17 GLY C C 17 173.380 173.380 171.927 1.453 17606 7727 1 20 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.499 -1.283 17606 7728 1 20 . 1 1 17 17 GLY H H 17 8.383 8.383 7.650 0.733 17606 7729 1 20 . 1 1 18 18 ARG N N 18 117.847 117.847 121.299 -3.452 17606 7730 1 20 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.651 -0.046 17606 7731 1 20 . 1 1 18 18 ARG C C 18 175.941 175.941 177.301 -1.360 17606 7732 1 20 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.893 0.447 17606 7733 1 20 . 1 1 18 18 ARG CB C 18 33.186 33.186 30.113 3.073 17606 7734 1 20 . 1 1 18 18 ARG H H 18 8.305 8.305 8.554 -0.249 17606 7735 1 20 . 1 1 19 19 GLY N N 19 110.572 110.572 116.676 -6.104 17606 7736 1 20 . 1 1 19 19 GLY C C 19 176.227 176.227 174.800 1.427 17606 7737 1 20 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.640 -0.750 17606 7738 1 20 . 1 1 19 19 GLY H H 19 8.857 8.857 8.731 0.126 17606 7739 1 20 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.439 -0.255 17606 7740 1 20 . 1 1 20 20 LYS C C 20 177.694 177.694 177.351 0.343 17606 7741 1 20 . 1 1 20 20 LYS CA C 20 58.379 58.379 56.163 2.216 17606 7742 1 20 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.946 -0.453 17606 7743 1 20 . 1 1 20 20 LYS H H 20 6.723 6.723 8.421 -1.698 17606 7744 1 20 . 1 1 21 21 THR N N 21 108.329 108.329 117.025 -8.696 17606 7745 1 20 . 1 1 21 21 THR HA H 21 4.437 4.437 4.323 0.114 17606 7746 1 20 . 1 1 21 21 THR C C 21 173.999 173.999 174.040 -0.041 17606 7747 1 20 . 1 1 21 21 THR CA C 21 60.895 60.895 62.140 -1.245 17606 7748 1 20 . 1 1 21 21 THR CB C 21 68.907 68.907 68.712 0.195 17606 7749 1 20 . 1 1 21 21 THR H H 21 7.839 7.839 7.621 0.218 17606 7750 1 20 . 1 1 22 22 GLN N N 22 123.126 123.126 122.769 0.357 17606 7751 1 20 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.223 0.207 17606 7752 1 20 . 1 1 22 22 GLN C C 22 175.190 175.190 174.718 0.472 17606 7753 1 20 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.896 0.899 17606 7754 1 20 . 1 1 22 22 GLN CB C 22 31.031 31.031 28.311 2.720 17606 7755 1 20 . 1 1 22 22 GLN H H 22 7.503 7.503 7.864 -0.361 17606 7756 1 20 . 1 1 23 23 LYS N N 23 126.763 126.763 126.742 0.021 17606 7757 1 20 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.443 0.094 17606 7758 1 20 . 1 1 23 23 LYS C C 23 174.087 174.087 174.668 -0.581 17606 7759 1 20 . 1 1 23 23 LYS CA C 23 54.444 54.444 53.650 0.794 17606 7760 1 20 . 1 1 23 23 LYS CB C 23 36.495 36.495 34.988 1.507 17606 7761 1 20 . 1 1 23 23 LYS H H 23 8.937 8.937 7.994 0.943 17606 7762 1 20 . 1 1 24 24 ILE N N 24 120.287 120.287 121.980 -1.693 17606 7763 1 20 . 1 1 24 24 ILE HA H 24 4.750 4.750 5.142 -0.392 17606 7764 1 20 . 1 1 24 24 ILE C C 24 175.772 175.772 176.008 -0.236 17606 7765 1 20 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.581 0.339 17606 7766 1 20 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.591 -0.337 17606 7767 1 20 . 1 1 24 24 ILE H H 24 7.980 7.980 8.217 -0.237 17606 7768 1 20 . 1 1 25 25 TYR N N 25 126.020 126.020 125.353 0.667 17606 7769 1 20 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.999 0.072 17606 7770 1 20 . 1 1 25 25 TYR C C 25 175.859 175.859 174.745 1.114 17606 7771 1 20 . 1 1 25 25 TYR CA C 25 55.860 55.860 55.555 0.305 17606 7772 1 20 . 1 1 25 25 TYR CB C 25 42.467 42.467 42.651 -0.184 17606 7773 1 20 . 1 1 25 25 TYR H H 25 8.885 8.885 9.371 -0.486 17606 7774 1 20 . 1 1 26 26 GLU N N 26 121.186 121.186 120.447 0.739 17606 7775 1 20 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.410 -0.768 17606 7776 1 20 . 1 1 26 26 GLU C C 26 176.001 176.001 175.396 0.605 17606 7777 1 20 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.659 1.469 17606 7778 1 20 . 1 1 26 26 GLU CB C 26 30.723 30.723 32.136 -1.413 17606 7779 1 20 . 1 1 26 26 GLU H H 26 8.915 8.915 9.325 -0.410 17606 7780 1 20 . 1 1 27 27 ALA N N 27 125.281 125.281 128.226 -2.945 17606 7781 1 20 . 1 1 27 27 ALA HA H 27 4.970 4.970 5.237 -0.267 17606 7782 1 20 . 1 1 27 27 ALA C C 27 175.178 175.178 175.299 -0.121 17606 7783 1 20 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.722 0.593 17606 7784 1 20 . 1 1 27 27 ALA CB C 27 24.655 24.655 23.120 1.535 17606 7785 1 20 . 1 1 27 27 ALA H H 27 8.834 8.834 9.295 -0.461 17606 7786 1 20 . 1 1 28 28 SER N N 28 112.133 112.133 114.981 -2.848 17606 7787 1 20 . 1 1 28 28 SER HA H 28 5.328 5.328 5.434 -0.106 17606 7788 1 20 . 1 1 28 28 SER C C 28 174.404 174.404 174.493 -0.089 17606 7789 1 20 . 1 1 28 28 SER CA C 28 56.133 56.133 56.263 -0.130 17606 7790 1 20 . 1 1 28 28 SER CB C 28 66.075 66.075 64.796 1.279 17606 7791 1 20 . 1 1 28 28 SER H H 28 8.529 8.529 8.827 -0.298 17606 7792 1 20 . 1 1 29 29 ILE N N 29 122.044 122.044 123.528 -1.484 17606 7793 1 20 . 1 1 29 29 ILE HA H 29 4.142 4.142 4.157 -0.015 17606 7794 1 20 . 1 1 29 29 ILE C C 29 176.473 176.473 176.243 0.230 17606 7795 1 20 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.895 0.666 17606 7796 1 20 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.497 1.527 17606 7797 1 20 . 1 1 29 29 ILE H H 29 8.431 8.431 9.112 -0.681 17606 7798 1 20 . 1 1 30 30 LYS N N 30 128.795 128.795 127.546 1.249 17606 7799 1 20 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.303 0.107 17606 7800 1 20 . 1 1 30 30 LYS C C 30 176.559 176.559 176.319 0.240 17606 7801 1 20 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.857 0.152 17606 7802 1 20 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.700 -0.819 17606 7803 1 20 . 1 1 30 30 LYS H H 30 9.687 9.687 9.046 0.641 17606 7804 1 20 . 1 1 31 31 SER N N 31 111.044 111.044 110.916 0.128 17606 7805 1 20 . 1 1 31 31 SER HA H 31 4.671 4.671 4.807 -0.136 17606 7806 1 20 . 1 1 31 31 SER C C 31 172.457 172.457 172.475 -0.018 17606 7807 1 20 . 1 1 31 31 SER CA C 31 57.353 57.353 57.597 -0.244 17606 7808 1 20 . 1 1 31 31 SER CB C 31 64.824 64.824 66.133 -1.309 17606 7809 1 20 . 1 1 31 31 SER H H 31 7.537 7.537 7.777 -0.240 17606 7810 1 20 . 1 1 32 32 THR N N 32 113.911 113.911 114.857 -0.946 17606 7811 1 20 . 1 1 32 32 THR HA H 32 5.564 5.564 5.074 0.490 17606 7812 1 20 . 1 1 32 32 THR C C 32 173.003 173.003 172.481 0.522 17606 7813 1 20 . 1 1 32 32 THR CA C 32 60.589 60.589 60.976 -0.387 17606 7814 1 20 . 1 1 32 32 THR CB C 32 72.217 72.217 70.401 1.816 17606 7815 1 20 . 1 1 32 32 THR H H 32 8.237 8.237 8.261 -0.024 17606 7816 1 20 . 1 1 33 33 GLU N N 33 123.514 123.514 121.457 2.057 17606 7817 1 20 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.747 -0.119 17606 7818 1 20 . 1 1 33 33 GLU C C 33 173.487 173.487 174.476 -0.989 17606 7819 1 20 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.125 0.331 17606 7820 1 20 . 1 1 33 33 GLU CB C 33 34.099 34.099 33.315 0.784 17606 7821 1 20 . 1 1 33 33 GLU H H 33 8.970 8.970 9.106 -0.136 17606 7822 1 20 . 1 1 34 34 ILE N N 34 122.095 122.095 121.879 0.216 17606 7823 1 20 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.825 -0.090 17606 7824 1 20 . 1 1 34 34 ILE C C 34 175.620 175.620 174.891 0.729 17606 7825 1 20 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.397 -0.350 17606 7826 1 20 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.237 -0.580 17606 7827 1 20 . 1 1 34 34 ILE H H 34 8.505 8.505 8.618 -0.113 17606 7828 1 20 . 1 1 35 35 ASP N N 35 127.840 127.840 128.153 -0.313 17606 7829 1 20 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.765 0.008 17606 7830 1 20 . 1 1 35 35 ASP C C 35 175.804 175.804 175.875 -0.071 17606 7831 1 20 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.321 -0.086 17606 7832 1 20 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.601 -0.182 17606 7833 1 20 . 1 1 35 35 ASP H H 35 8.948 8.948 8.838 0.110 17606 7834 1 20 . 1 1 36 36 ASP N N 36 127.315 127.315 125.686 1.629 17606 7835 1 20 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.364 -0.101 17606 7836 1 20 . 1 1 36 36 ASP C C 36 175.993 175.993 176.160 -0.167 17606 7837 1 20 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.569 0.551 17606 7838 1 20 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.685 -1.026 17606 7839 1 20 . 1 1 36 36 ASP H H 36 9.065 9.065 8.819 0.246 17606 7840 1 20 . 1 1 37 37 GLY N N 37 103.112 103.112 103.773 -0.661 17606 7841 1 20 . 1 1 37 37 GLY C C 37 173.541 173.541 173.709 -0.168 17606 7842 1 20 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.081 0.390 17606 7843 1 20 . 1 1 37 37 GLY H H 37 8.045 8.045 8.287 -0.242 17606 7844 1 20 . 1 1 38 38 GLU N N 38 121.172 121.172 119.949 1.223 17606 7845 1 20 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.707 -0.056 17606 7846 1 20 . 1 1 38 38 GLU C C 38 174.246 174.246 174.985 -0.739 17606 7847 1 20 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.624 0.095 17606 7848 1 20 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.056 0.149 17606 7849 1 20 . 1 1 38 38 GLU H H 38 7.769 7.769 7.722 0.047 17606 7850 1 20 . 1 1 39 39 VAL N N 39 123.983 123.983 121.724 2.259 17606 7851 1 20 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.530 -0.320 17606 7852 1 20 . 1 1 39 39 VAL C C 39 174.546 174.546 175.225 -0.679 17606 7853 1 20 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.947 1.094 17606 7854 1 20 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.243 0.026 17606 7855 1 20 . 1 1 39 39 VAL H H 39 8.455 8.455 8.768 -0.313 17606 7856 1 20 . 1 1 40 40 LEU N N 40 127.105 127.105 126.802 0.303 17606 7857 1 20 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.188 -0.096 17606 7858 1 20 . 1 1 40 40 LEU C C 40 175.819 175.819 176.661 -0.842 17606 7859 1 20 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.764 -0.511 17606 7860 1 20 . 1 1 40 40 LEU CB C 40 46.490 46.490 43.293 3.197 17606 7861 1 20 . 1 1 40 40 LEU H H 40 8.947 8.947 9.045 -0.098 17606 7862 1 20 . 1 1 41 41 TYR N N 41 119.021 119.021 123.077 -4.056 17606 7863 1 20 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.915 0.192 17606 7864 1 20 . 1 1 41 41 TYR C C 41 173.968 173.968 174.197 -0.229 17606 7865 1 20 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.297 -0.442 17606 7866 1 20 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.922 -0.780 17606 7867 1 20 . 1 1 41 41 TYR H H 41 9.337 9.337 9.702 -0.365 17606 7868 1 20 . 1 1 42 42 LEU N N 42 128.770 128.770 124.800 3.970 17606 7869 1 20 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.230 -0.257 17606 7870 1 20 . 1 1 42 42 LEU C C 42 175.491 175.491 174.571 0.920 17606 7871 1 20 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.793 0.574 17606 7872 1 20 . 1 1 42 42 LEU CB C 42 39.696 39.696 42.765 -3.069 17606 7873 1 20 . 1 1 42 42 LEU H H 42 8.304 8.304 8.905 -0.601 17606 7874 1 20 . 1 1 43 43 VAL N N 43 121.269 121.269 122.742 -1.473 17606 7875 1 20 . 1 1 43 43 VAL HA H 43 4.980 4.980 5.112 -0.132 17606 7876 1 20 . 1 1 43 43 VAL C C 43 173.257 173.257 173.647 -0.390 17606 7877 1 20 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.029 -0.717 17606 7878 1 20 . 1 1 43 43 VAL CB C 43 34.054 34.054 35.067 -1.013 17606 7879 1 20 . 1 1 43 43 VAL H H 43 8.847 8.847 8.896 -0.049 17606 7880 1 20 . 1 1 44 44 HIS N N 44 118.126 118.126 119.039 -0.913 17606 7881 1 20 . 1 1 44 44 HIS C C 44 174.272 174.272 174.680 -0.408 17606 7882 1 20 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.440 0.879 17606 7883 1 20 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.044 -1.028 17606 7884 1 20 . 1 1 44 44 HIS H H 44 8.286 8.286 9.093 -0.807 17606 7885 1 20 . 1 1 45 45 TYR N N 45 127.711 127.711 123.456 4.255 17606 7886 1 20 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.668 -0.569 17606 7887 1 20 . 1 1 45 45 TYR C C 45 175.343 175.343 175.674 -0.331 17606 7888 1 20 . 1 1 45 45 TYR CA C 45 58.240 58.240 58.429 -0.189 17606 7889 1 20 . 1 1 45 45 TYR CB C 45 37.500 37.500 38.260 -0.760 17606 7890 1 20 . 1 1 45 45 TYR H H 45 8.013 8.013 8.295 -0.282 17606 7891 1 20 . 1 1 46 46 TYR N N 46 121.373 121.373 120.112 1.261 17606 7892 1 20 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.996 -0.782 17606 7893 1 20 . 1 1 46 46 TYR CA C 46 58.945 58.945 56.502 2.443 17606 7894 1 20 . 1 1 46 46 TYR CB C 46 38.400 38.400 40.347 -1.947 17606 7895 1 20 . 1 1 46 46 TYR H H 46 7.842 7.842 8.144 -0.302 17606 7896 1 20 . 1 1 47 47 GLY CA C 47 45.147 45.147 44.608 0.539 17606 7897 1 20 . 1 1 48 48 TRP N N 48 121.413 121.413 121.413 0.000 17606 7898 1 20 . 1 1 48 48 TRP CA C 48 55.966 55.966 55.996 -0.030 17606 7899 1 20 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.198 0.201 17606 7900 1 20 . 1 1 48 48 TRP H H 48 8.105 8.105 7.980 0.125 17606 7901 1 20 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.354 -0.180 17606 7902 1 20 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.417 -1.534 17606 7903 1 20 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.418 -0.194 17606 7904 1 20 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.189 -0.071 17606 7905 1 20 . 1 1 51 51 ARG C C 51 176.010 176.010 176.476 -0.466 17606 7906 1 20 . 1 1 51 51 ARG CA C 51 57.004 57.004 57.136 -0.132 17606 7907 1 20 . 1 1 51 51 ARG CB C 51 29.934 29.934 29.477 0.457 17606 7908 1 20 . 1 1 52 52 TYR N N 52 119.263 119.263 122.678 -3.415 17606 7909 1 20 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.484 0.152 17606 7910 1 20 . 1 1 52 52 TYR CA C 52 58.000 58.000 57.905 0.095 17606 7911 1 20 . 1 1 52 52 TYR CB C 52 38.804 38.804 37.495 1.309 17606 7912 1 20 . 1 1 52 52 TYR H H 52 7.860 7.860 7.989 -0.129 17606 7913 1 20 . 1 1 53 53 ASP N N 53 122.103 122.103 122.296 -0.193 17606 7914 1 20 . 1 1 53 53 ASP HA H 53 4.977 4.977 5.381 -0.404 17606 7915 1 20 . 1 1 53 53 ASP CA C 53 55.272 55.272 52.179 3.093 17606 7916 1 20 . 1 1 53 53 ASP CB C 53 40.304 40.304 43.521 -3.217 17606 7917 1 20 . 1 1 53 53 ASP H H 53 8.014 8.014 8.049 -0.035 17606 7918 1 20 . 1 1 54 54 GLU N N 54 119.733 119.733 122.519 -2.786 17606 7919 1 20 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.684 0.089 17606 7920 1 20 . 1 1 54 54 GLU C C 54 174.099 174.099 174.120 -0.021 17606 7921 1 20 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.669 0.209 17606 7922 1 20 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.986 0.145 17606 7923 1 20 . 1 1 54 54 GLU H H 54 8.018 8.018 8.745 -0.727 17606 7924 1 20 . 1 1 55 55 TRP N N 55 124.675 124.675 121.991 2.684 17606 7925 1 20 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.671 -0.427 17606 7926 1 20 . 1 1 55 55 TRP C C 55 177.088 177.088 175.969 1.119 17606 7927 1 20 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.382 0.007 17606 7928 1 20 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.751 -1.338 17606 7929 1 20 . 1 1 55 55 TRP H H 55 8.760 8.760 8.582 0.178 17606 7930 1 20 . 1 1 56 56 VAL N N 56 119.873 119.873 115.643 4.230 17606 7931 1 20 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.771 0.153 17606 7932 1 20 . 1 1 56 56 VAL C C 56 174.866 174.866 173.635 1.231 17606 7933 1 20 . 1 1 56 56 VAL CA C 56 58.968 58.968 58.799 0.169 17606 7934 1 20 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.224 0.637 17606 7935 1 20 . 1 1 56 56 VAL H H 56 10.006 10.006 8.999 1.007 17606 7936 1 20 . 1 1 57 57 LYS N N 57 120.466 120.466 120.664 -0.198 17606 7937 1 20 . 1 1 57 57 LYS HA H 57 4.865 4.865 5.104 -0.239 17606 7938 1 20 . 1 1 57 57 LYS C C 57 178.120 178.120 177.924 0.196 17606 7939 1 20 . 1 1 57 57 LYS CA C 57 56.441 56.441 54.953 1.488 17606 7940 1 20 . 1 1 57 57 LYS CB C 57 34.184 34.184 35.220 -1.036 17606 7941 1 20 . 1 1 57 57 LYS H H 57 8.361 8.361 8.411 -0.050 17606 7942 1 20 . 1 1 58 58 ALA N N 58 120.318 120.318 126.768 -6.450 17606 7943 1 20 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.269 -0.115 17606 7944 1 20 . 1 1 58 58 ALA C C 58 179.508 179.508 179.783 -0.275 17606 7945 1 20 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.681 0.008 17606 7946 1 20 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.851 0.623 17606 7947 1 20 . 1 1 58 58 ALA H H 58 9.064 9.064 8.846 0.218 17606 7948 1 20 . 1 1 59 59 ASP N N 59 113.824 113.824 116.045 -2.221 17606 7949 1 20 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.470 0.067 17606 7950 1 20 . 1 1 59 59 ASP C C 59 177.499 177.499 177.400 0.099 17606 7951 1 20 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.840 -1.187 17606 7952 1 20 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.396 -0.662 17606 7953 1 20 . 1 1 59 59 ASP H H 59 8.256 8.256 8.828 -0.572 17606 7954 1 20 . 1 1 60 60 ARG N N 60 118.041 118.041 115.630 2.411 17606 7955 1 20 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.519 -0.228 17606 7956 1 20 . 1 1 60 60 ARG C C 60 174.918 174.918 175.260 -0.342 17606 7957 1 20 . 1 1 60 60 ARG CA C 60 56.144 56.144 54.572 1.572 17606 7958 1 20 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.425 0.584 17606 7959 1 20 . 1 1 60 60 ARG H H 60 7.931 7.931 8.025 -0.094 17606 7960 1 20 . 1 1 61 61 ILE N N 61 118.787 118.787 120.857 -2.070 17606 7961 1 20 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.859 -0.742 17606 7962 1 20 . 1 1 61 61 ILE C C 61 175.243 175.243 175.700 -0.457 17606 7963 1 20 . 1 1 61 61 ILE CA C 61 60.413 60.413 60.206 0.207 17606 7964 1 20 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.155 -1.727 17606 7965 1 20 . 1 1 61 61 ILE H H 61 7.463 7.463 7.506 -0.043 17606 7966 1 20 . 1 1 62 62 ILE N N 62 127.975 127.975 126.466 1.509 17606 7967 1 20 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.443 -0.287 17606 7968 1 20 . 1 1 62 62 ILE C C 62 175.867 175.867 174.989 0.878 17606 7969 1 20 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.823 0.613 17606 7970 1 20 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.322 -0.002 17606 7971 1 20 . 1 1 62 62 ILE H H 62 8.773 8.773 8.985 -0.212 17606 7972 1 20 . 1 1 63 63 TRP N N 63 131.233 131.233 130.332 0.901 17606 7973 1 20 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.840 -0.278 17606 7974 1 20 . 1 1 63 63 TRP C C 63 174.859 174.859 174.594 0.265 17606 7975 1 20 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.710 -0.168 17606 7976 1 20 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.335 -0.676 17606 7977 1 20 . 1 1 63 63 TRP H H 63 8.506 8.506 8.563 -0.057 17606 7978 1 20 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.448 0.101 17606 7979 1 20 . 1 1 64 64 PRO C C 64 176.966 176.966 175.811 1.155 17606 7980 1 20 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.497 -0.366 17606 7981 1 20 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.840 0.185 17606 7982 1 20 . 1 1 65 65 LEU N N 65 121.886 121.886 126.360 -4.474 17606 7983 1 20 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.381 -0.048 17606 7984 1 20 . 1 1 65 65 LEU C C 65 177.243 177.243 176.614 0.629 17606 7985 1 20 . 1 1 65 65 LEU CA C 65 55.492 55.492 54.739 0.753 17606 7986 1 20 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.987 -1.617 17606 7987 1 20 . 1 1 65 65 LEU H H 65 8.426 8.426 7.923 0.503 17606 7988 1 20 . 1 1 66 66 ASP N N 66 120.509 120.509 122.226 -1.717 17606 7989 1 20 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.346 0.232 17606 7990 1 20 . 1 1 66 66 ASP C C 66 176.402 176.402 175.650 0.752 17606 7991 1 20 . 1 1 66 66 ASP CA C 66 54.249 54.249 56.225 -1.976 17606 7992 1 20 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.471 0.685 17606 7993 1 20 . 1 1 66 66 ASP H H 66 8.348 8.348 8.754 -0.406 17606 7994 1 20 . 1 1 67 67 LYS N N 67 121.925 121.925 122.188 -0.263 17606 7995 1 20 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.348 -0.070 17606 7996 1 20 . 1 1 67 67 LYS C C 67 177.158 177.158 177.550 -0.392 17606 7997 1 20 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.089 0.510 17606 7998 1 20 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.112 0.641 17606 7999 1 20 . 1 1 67 67 LYS H H 67 8.327 8.327 8.130 0.197 17606 8000 1 20 . 1 1 68 68 GLY N N 68 109.417 109.417 110.751 -1.334 17606 8001 1 20 . 1 1 68 68 GLY C C 68 174.413 174.413 173.815 0.598 17606 8002 1 20 . 1 1 68 68 GLY CA C 68 45.623 45.623 44.635 0.988 17606 8003 1 20 . 1 1 68 68 GLY H H 68 8.558 8.558 8.694 -0.136 17606 8004 1 20 . 1 1 69 69 LEU N N 69 120.937 120.937 125.456 -4.519 17606 8005 1 20 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.151 0.104 17606 8006 1 20 . 1 1 69 69 LEU C C 69 177.559 177.559 176.680 0.879 17606 8007 1 20 . 1 1 69 69 LEU CA C 69 55.326 55.326 55.112 0.214 17606 8008 1 20 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.386 0.782 17606 8009 1 20 . 1 1 69 69 LEU H H 69 7.972 7.972 7.741 0.231 17606 8010 1 20 . 1 1 70 70 GLU N N 70 120.764 120.764 121.334 -0.570 17606 8011 1 20 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.040 0.086 17606 8012 1 20 . 1 1 70 70 GLU C C 70 176.435 176.435 174.720 1.715 17606 8013 1 20 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.754 0.396 17606 8014 1 20 . 1 1 70 70 GLU CB C 70 29.859 29.859 29.808 0.051 17606 8015 1 20 . 1 1 70 70 GLU H H 70 8.443 8.443 8.193 0.250 17606 8016 1 20 . 1 1 71 71 HIS N N 71 119.554 119.554 120.000 -0.446 17606 8017 1 20 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.965 -0.367 17606 8018 1 20 . 1 1 71 71 HIS C C 71 174.001 174.001 175.148 -1.147 17606 8019 1 20 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.417 0.661 17606 8020 1 20 . 1 1 71 71 HIS CB C 71 30.551 30.551 29.706 0.846 17606 8021 1 20 . 1 1 71 71 HIS H H 71 8.223 8.223 8.462 -0.239 17606 8022 1 20 . 1 1 72 72 HIS N N 72 125.509 125.509 118.554 6.955 17606 8023 1 20 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.342 0.072 17606 8024 1 20 . 1 1 72 72 HIS C C 72 179.225 179.225 175.631 3.594 17606 8025 1 20 . 1 1 72 72 HIS CA C 72 57.363 57.363 58.064 -0.701 17606 8026 1 20 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.151 0.299 17606 8027 1 20 . 1 1 72 72 HIS H H 72 8.101 8.101 8.300 -0.199 17606 8028 1 20 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.672 -0.128 17606 8029 1 20 . 1 1 73 73 HIS CA C 73 56.078 56.078 55.856 0.222 17606 8030 1 20 . 1 1 73 73 HIS CB C 73 30.551 30.551 31.215 -0.663 17606 8031 1 20 . 1 1 74 74 HIS N N 74 120.202 120.202 125.449 -5.247 17606 8032 1 20 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.756 -0.554 17606 8033 1 20 . 1 1 74 74 HIS CA C 74 56.035 56.035 56.559 -0.524 17606 8034 1 20 . 1 1 74 74 HIS CB C 74 30.232 30.232 29.813 0.419 17606 8035 1 20 . 1 1 74 74 HIS H H 74 8.189 8.189 8.926 -0.737 17606 8036 1 20 . 1 1 75 75 HIS N N 75 120.367 120.367 112.747 7.620 17606 8037 1 20 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.549 -0.126 17606 8038 1 20 . 1 1 75 75 HIS CA C 75 55.515 55.515 55.016 0.499 17606 8039 1 20 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.771 2.497 17606 8040 1 20 . 1 1 75 75 HIS H H 75 8.258 8.258 7.929 0.329 17606 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 66 3.193 0.515 3.175 17606 2 1 1 "Average Difference" HA 76 0.367 0.078 0.361 17606 3 1 1 "Average Difference" C 64 1.043 -0.374 0.981 17606 4 1 1 "Average Difference" CA 73 0.906 -0.213 0.886 17606 5 1 1 "Average Difference" CB 67 1.276 0.102 1.281 17606 6 1 1 "Average Difference" HN 67 0.407 0.081 0.402 17606 7 1 2 "Average Difference" N 66 2.759 0.970 2.603 17606 8 1 2 "Average Difference" HA 76 0.306 0.038 0.306 17606 9 1 2 "Average Difference" C 64 0.984 -0.377 0.916 17606 10 1 2 "Average Difference" CA 73 0.877 -0.279 0.837 17606 11 1 2 "Average Difference" CB 67 1.236 -0.012 1.245 17606 12 1 2 "Average Difference" HN 67 0.404 0.052 0.404 17606 13 1 3 "Average Difference" N 66 2.749 0.185 2.764 17606 14 1 3 "Average Difference" HA 76 0.290 0.035 0.289 17606 15 1 3 "Average Difference" C 64 1.007 -0.423 0.922 17606 16 1 3 "Average Difference" CA 73 0.891 -0.295 0.847 17606 17 1 3 "Average Difference" CB 67 1.317 0.072 1.325 17606 18 1 3 "Average Difference" HN 67 0.427 0.018 0.429 17606 19 1 4 "Average Difference" N 66 3.231 0.667 3.186 17606 20 1 4 "Average Difference" HA 76 0.344 0.014 0.346 17606 21 1 4 "Average Difference" C 64 1.041 -0.371 0.980 17606 22 1 4 "Average Difference" CA 73 1.025 -0.053 1.031 17606 23 1 4 "Average Difference" CB 67 1.232 -0.093 1.237 17606 24 1 4 "Average Difference" HN 67 0.438 0.080 0.434 17606 25 1 5 "Average Difference" N 66 3.174 0.456 3.165 17606 26 1 5 "Average Difference" HA 76 0.304 -0.018 0.305 17606 27 1 5 "Average Difference" C 64 1.048 -0.384 0.982 17606 28 1 5 "Average Difference" CA 73 1.022 -0.081 1.026 17606 29 1 5 "Average Difference" CB 67 1.139 -0.189 1.132 17606 30 1 5 "Average Difference" HN 67 0.468 0.043 0.469 17606 31 1 6 "Average Difference" N 66 2.912 0.188 2.928 17606 32 1 6 "Average Difference" HA 76 0.304 0.035 0.304 17606 33 1 6 "Average Difference" C 64 1.021 -0.405 0.945 17606 34 1 6 "Average Difference" CA 73 0.867 -0.204 0.849 17606 35 1 6 "Average Difference" CB 67 1.279 -0.137 1.281 17606 36 1 6 "Average Difference" HN 67 0.368 -0.030 0.370 17606 37 1 7 "Average Difference" N 66 3.337 0.251 3.353 17606 38 1 7 "Average Difference" HA 76 0.314 0.059 0.310 17606 39 1 7 "Average Difference" C 64 1.021 -0.406 0.944 17606 40 1 7 "Average Difference" CA 73 1.131 -0.365 1.078 17606 41 1 7 "Average Difference" CB 67 1.380 0.043 1.390 17606 42 1 7 "Average Difference" HN 67 0.427 0.015 0.430 17606 43 1 8 "Average Difference" N 66 2.999 -0.111 3.020 17606 44 1 8 "Average Difference" HA 76 0.311 0.054 0.308 17606 45 1 8 "Average Difference" C 64 0.886 -0.281 0.847 17606 46 1 8 "Average Difference" CA 73 1.135 -0.267 1.111 17606 47 1 8 "Average Difference" CB 67 1.112 -0.266 1.088 17606 48 1 8 "Average Difference" HN 67 0.438 0.005 0.441 17606 49 1 9 "Average Difference" N 66 3.094 0.642 3.050 17606 50 1 9 "Average Difference" HA 76 0.315 0.037 0.315 17606 51 1 9 "Average Difference" C 64 0.958 -0.340 0.903 17606 52 1 9 "Average Difference" CA 73 0.924 -0.171 0.914 17606 53 1 9 "Average Difference" CB 67 1.401 -0.256 1.388 17606 54 1 9 "Average Difference" HN 67 0.431 0.042 0.432 17606 55 1 10 "Average Difference" N 66 2.963 0.860 2.858 17606 56 1 10 "Average Difference" HA 76 0.282 0.037 0.281 17606 57 1 10 "Average Difference" C 64 0.975 -0.292 0.938 17606 58 1 10 "Average Difference" CA 73 0.932 -0.182 0.920 17606 59 1 10 "Average Difference" CB 67 1.131 -0.197 1.122 17606 60 1 10 "Average Difference" HN 67 0.466 0.050 0.467 17606 61 1 11 "Average Difference" N 66 3.289 0.444 3.284 17606 62 1 11 "Average Difference" HA 76 0.294 0.030 0.295 17606 63 1 11 "Average Difference" C 64 1.084 -0.372 1.027 17606 64 1 11 "Average Difference" CA 73 0.949 -0.284 0.911 17606 65 1 11 "Average Difference" CB 67 1.284 -0.062 1.292 17606 66 1 11 "Average Difference" HN 67 0.439 0.032 0.441 17606 67 1 12 "Average Difference" N 66 3.298 0.850 3.211 17606 68 1 12 "Average Difference" HA 76 0.320 -0.018 0.321 17606 69 1 12 "Average Difference" C 64 0.923 -0.336 0.866 17606 70 1 12 "Average Difference" CA 73 1.004 -0.119 1.004 17606 71 1 12 "Average Difference" CB 67 1.049 -0.125 1.050 17606 72 1 12 "Average Difference" HN 67 0.417 0.046 0.418 17606 73 1 13 "Average Difference" N 66 3.226 0.722 3.168 17606 74 1 13 "Average Difference" HA 76 0.284 0.023 0.285 17606 75 1 13 "Average Difference" C 64 0.942 -0.401 0.859 17606 76 1 13 "Average Difference" CA 73 0.980 -0.195 0.967 17606 77 1 13 "Average Difference" CB 67 1.376 -0.126 1.381 17606 78 1 13 "Average Difference" HN 67 0.456 0.087 0.451 17606 79 1 14 "Average Difference" N 66 2.708 0.435 2.693 17606 80 1 14 "Average Difference" HA 76 0.284 0.008 0.286 17606 81 1 14 "Average Difference" C 64 0.833 -0.262 0.797 17606 82 1 14 "Average Difference" CA 73 0.932 -0.174 0.922 17606 83 1 14 "Average Difference" CB 67 1.219 -0.168 1.217 17606 84 1 14 "Average Difference" HN 67 0.414 0.057 0.413 17606 85 1 15 "Average Difference" N 66 3.424 1.225 3.221 17606 86 1 15 "Average Difference" HA 76 0.291 0.011 0.293 17606 87 1 15 "Average Difference" C 64 0.915 -0.403 0.828 17606 88 1 15 "Average Difference" CA 73 1.020 -0.151 1.016 17606 89 1 15 "Average Difference" CB 67 1.421 -0.122 1.426 17606 90 1 15 "Average Difference" HN 67 0.399 0.084 0.393 17606 91 1 16 "Average Difference" N 66 2.979 0.626 2.935 17606 92 1 16 "Average Difference" HA 76 0.332 0.074 0.326 17606 93 1 16 "Average Difference" C 64 0.966 -0.322 0.918 17606 94 1 16 "Average Difference" CA 73 1.019 -0.286 0.984 17606 95 1 16 "Average Difference" CB 67 1.285 -0.058 1.293 17606 96 1 16 "Average Difference" HN 67 0.443 0.050 0.443 17606 97 1 17 "Average Difference" N 66 3.314 0.923 3.208 17606 98 1 17 "Average Difference" HA 76 0.324 0.064 0.320 17606 99 1 17 "Average Difference" C 64 0.939 -0.370 0.870 17606 100 1 17 "Average Difference" CA 73 0.930 -0.357 0.865 17606 101 1 17 "Average Difference" CB 67 1.203 -0.079 1.210 17606 102 1 17 "Average Difference" HN 67 0.403 0.081 0.398 17606 103 1 18 "Average Difference" N 66 3.530 1.024 3.404 17606 104 1 18 "Average Difference" HA 76 0.315 0.058 0.311 17606 105 1 18 "Average Difference" C 64 0.968 -0.397 0.889 17606 106 1 18 "Average Difference" CA 73 1.007 -0.221 0.989 17606 107 1 18 "Average Difference" CB 67 1.458 0.013 1.469 17606 108 1 18 "Average Difference" HN 67 0.473 0.108 0.464 17606 109 1 19 "Average Difference" N 66 2.644 0.474 2.621 17606 110 1 19 "Average Difference" HA 76 0.330 0.033 0.331 17606 111 1 19 "Average Difference" C 64 0.930 -0.369 0.861 17606 112 1 19 "Average Difference" CA 73 0.867 -0.143 0.861 17606 113 1 19 "Average Difference" CB 67 1.299 0.018 1.308 17606 114 1 19 "Average Difference" HN 67 0.416 0.060 0.415 17606 115 1 20 "Average Difference" N 66 3.178 0.308 3.187 17606 116 1 20 "Average Difference" HA 76 0.309 0.073 0.303 17606 117 1 20 "Average Difference" C 64 0.852 -0.238 0.824 17606 118 1 20 "Average Difference" CA 73 0.910 -0.236 0.885 17606 119 1 20 "Average Difference" CB 67 1.265 -0.107 1.269 17606 120 1 20 "Average Difference" HN 67 0.435 0.071 0.433 17606 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 17606 _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 ASP N N 2 121.539 121.539 122.112 -0.573 17606 2 1 . 1 1 2 2 ASP HA H 2 4.555 4.555 4.760 -0.205 17606 3 1 . 1 1 2 2 ASP C C 2 176.030 176.030 175.502 0.528 17606 4 1 . 1 1 2 2 ASP CA C 2 54.553 54.553 54.435 0.118 17606 5 1 . 1 1 2 2 ASP CB C 2 41.304 41.304 41.454 -0.150 17606 6 1 . 1 1 2 2 ASP H H 2 8.515 8.515 8.566 -0.050 17606 7 1 . 1 1 3 3 MET N N 3 120.469 120.469 119.806 0.663 17606 8 1 . 1 1 3 3 MET HA H 3 4.472 4.472 4.572 -0.100 17606 9 1 . 1 1 3 3 MET C C 3 176.040 176.040 174.768 1.272 17606 10 1 . 1 1 3 3 MET CA C 3 55.373 55.373 55.599 -0.225 17606 11 1 . 1 1 3 3 MET CB C 3 33.196 33.196 33.599 -0.403 17606 12 1 . 1 1 3 3 MET H H 3 8.340 8.340 7.986 0.354 17606 13 1 . 1 1 4 4 GLU N N 4 123.512 123.512 124.589 -1.077 17606 14 1 . 1 1 4 4 GLU HA H 4 4.538 4.538 4.666 -0.128 17606 15 1 . 1 1 4 4 GLU C C 4 174.592 174.592 174.960 -0.368 17606 16 1 . 1 1 4 4 GLU CA C 4 54.554 54.554 54.167 0.387 17606 17 1 . 1 1 4 4 GLU CB C 4 29.646 29.646 29.979 -0.333 17606 18 1 . 1 1 4 4 GLU H H 4 8.424 8.424 8.515 -0.091 17606 19 1 . 1 1 5 5 PRO HA H 5 4.402 4.402 4.396 0.006 17606 20 1 . 1 1 5 5 PRO C C 5 176.669 176.669 176.293 0.376 17606 21 1 . 1 1 5 5 PRO CA C 5 63.491 63.491 63.276 0.215 17606 22 1 . 1 1 5 5 PRO CB C 5 32.002 32.002 31.454 0.548 17606 23 1 . 1 1 6 6 CYS N N 6 119.970 119.970 120.462 -0.492 17606 24 1 . 1 1 6 6 CYS HA H 6 4.522 4.522 4.456 0.066 17606 25 1 . 1 1 6 6 CYS C C 6 175.020 175.020 175.070 -0.050 17606 26 1 . 1 1 6 6 CYS CA C 6 58.662 58.662 58.778 -0.116 17606 27 1 . 1 1 6 6 CYS CB C 6 27.638 27.638 28.271 -0.633 17606 28 1 . 1 1 6 6 CYS H H 6 8.539 8.539 8.261 0.278 17606 29 1 . 1 1 7 7 LEU N N 7 125.146 125.146 119.546 5.600 17606 30 1 . 1 1 7 7 LEU HA H 7 4.433 4.433 4.316 0.117 17606 31 1 . 1 1 7 7 LEU C C 7 178.244 178.244 176.580 1.663 17606 32 1 . 1 1 7 7 LEU CA C 7 55.361 55.361 55.972 -0.611 17606 33 1 . 1 1 7 7 LEU CB C 7 42.687 42.687 40.746 1.941 17606 34 1 . 1 1 7 7 LEU H H 7 8.649 8.649 8.500 0.149 17606 35 1 . 1 1 8 8 THR N N 8 116.760 116.760 113.004 3.756 17606 36 1 . 1 1 8 8 THR HA H 8 3.966 3.966 4.292 -0.326 17606 37 1 . 1 1 8 8 THR C C 8 175.108 175.108 176.004 -0.896 17606 38 1 . 1 1 8 8 THR CA C 8 64.244 64.244 63.569 0.675 17606 39 1 . 1 1 8 8 THR CB C 8 69.071 69.071 68.951 0.120 17606 40 1 . 1 1 8 8 THR H H 8 8.124 8.124 7.678 0.446 17606 41 1 . 1 1 9 9 GLY N N 9 113.810 113.810 114.802 -0.992 17606 42 1 . 1 1 9 9 GLY C C 9 174.510 174.510 174.614 -0.104 17606 43 1 . 1 1 9 9 GLY CA C 9 45.012 45.012 45.080 -0.068 17606 44 1 . 1 1 9 9 GLY H H 9 9.095 9.095 8.906 0.189 17606 45 1 . 1 1 10 10 THR N N 10 116.938 116.938 119.912 -2.974 17606 46 1 . 1 1 10 10 THR HA H 10 4.179 4.179 4.241 -0.062 17606 47 1 . 1 1 10 10 THR C C 10 173.450 173.450 173.767 -0.317 17606 48 1 . 1 1 10 10 THR CA C 10 64.192 64.192 63.485 0.707 17606 49 1 . 1 1 10 10 THR CB C 10 70.093 70.093 69.372 0.721 17606 50 1 . 1 1 10 10 THR H H 10 8.002 8.002 7.738 0.264 17606 51 1 . 1 1 11 11 LYS N N 11 127.263 127.263 127.793 -0.530 17606 52 1 . 1 1 11 11 LYS HA H 11 4.826 4.826 4.841 -0.015 17606 53 1 . 1 1 11 11 LYS C C 11 176.157 176.157 175.785 0.372 17606 54 1 . 1 1 11 11 LYS CA C 11 56.741 56.741 55.417 1.324 17606 55 1 . 1 1 11 11 LYS CB C 11 32.555 32.555 32.923 -0.368 17606 56 1 . 1 1 11 11 LYS H H 11 8.514 8.514 8.453 0.061 17606 57 1 . 1 1 12 12 VAL N N 12 116.892 116.892 118.209 -1.317 17606 58 1 . 1 1 12 12 VAL HA H 12 4.590 4.590 4.396 0.194 17606 59 1 . 1 1 12 12 VAL C C 12 174.476 174.476 174.071 0.405 17606 60 1 . 1 1 12 12 VAL CA C 12 59.212 59.212 59.029 0.183 17606 61 1 . 1 1 12 12 VAL CB C 12 35.544 35.544 35.110 0.434 17606 62 1 . 1 1 12 12 VAL H H 12 8.738 8.738 8.901 -0.163 17606 63 1 . 1 1 13 13 LYS N N 13 118.427 118.427 120.276 -1.849 17606 64 1 . 1 1 13 13 LYS HA H 13 5.123 5.123 4.985 0.138 17606 65 1 . 1 1 13 13 LYS C C 13 174.853 174.853 175.049 -0.196 17606 66 1 . 1 1 13 13 LYS CA C 13 54.983 54.983 54.614 0.369 17606 67 1 . 1 1 13 13 LYS CB C 13 35.787 35.787 35.227 0.560 17606 68 1 . 1 1 13 13 LYS H H 13 7.677 7.677 8.057 -0.380 17606 69 1 . 1 1 14 14 VAL N N 14 120.913 120.913 124.074 -3.161 17606 70 1 . 1 1 14 14 VAL HA H 14 4.826 4.826 4.667 0.159 17606 71 1 . 1 1 14 14 VAL C C 14 175.645 175.645 174.161 1.484 17606 72 1 . 1 1 14 14 VAL CA C 14 60.391 60.391 60.834 -0.443 17606 73 1 . 1 1 14 14 VAL CB C 14 36.027 36.027 35.144 0.883 17606 74 1 . 1 1 14 14 VAL H H 14 9.178 9.178 9.279 -0.101 17606 75 1 . 1 1 15 15 LYS N N 15 125.862 125.862 127.629 -1.767 17606 76 1 . 1 1 15 15 LYS HA H 15 4.582 4.582 4.787 -0.205 17606 77 1 . 1 1 15 15 LYS C C 15 175.430 175.430 174.456 0.974 17606 78 1 . 1 1 15 15 LYS CA C 15 56.691 56.691 55.100 1.591 17606 79 1 . 1 1 15 15 LYS CB C 15 33.764 33.764 34.250 -0.486 17606 80 1 . 1 1 15 15 LYS H H 15 9.010 9.010 8.891 0.119 17606 81 1 . 1 1 16 16 TYR N N 16 127.499 127.499 126.880 0.619 17606 82 1 . 1 1 16 16 TYR HA H 16 4.638 4.638 4.723 -0.085 17606 83 1 . 1 1 16 16 TYR C C 16 175.096 175.096 173.625 1.471 17606 84 1 . 1 1 16 16 TYR CA C 16 58.348 58.348 57.036 1.312 17606 85 1 . 1 1 16 16 TYR CB C 16 42.493 42.493 41.763 0.730 17606 86 1 . 1 1 16 16 TYR H H 16 9.305 9.305 8.804 0.501 17606 87 1 . 1 1 17 17 GLY N N 17 115.501 115.501 113.236 2.265 17606 88 1 . 1 1 17 17 GLY C C 17 173.380 173.380 171.917 1.463 17606 89 1 . 1 1 17 17 GLY CA C 17 44.216 44.216 45.190 -0.974 17606 90 1 . 1 1 17 17 GLY H H 17 8.383 8.383 8.039 0.344 17606 91 1 . 1 1 18 18 ARG N N 18 117.847 117.847 121.084 -3.237 17606 92 1 . 1 1 18 18 ARG HA H 18 4.605 4.605 4.680 -0.075 17606 93 1 . 1 1 18 18 ARG C C 18 175.941 175.941 176.655 -0.714 17606 94 1 . 1 1 18 18 ARG CA C 18 55.340 55.340 54.710 0.630 17606 95 1 . 1 1 18 18 ARG CB C 18 33.186 33.186 31.086 2.100 17606 96 1 . 1 1 18 18 ARG H H 18 8.305 8.305 8.628 -0.323 17606 97 1 . 1 1 19 19 GLY N N 19 110.572 110.572 115.730 -5.158 17606 98 1 . 1 1 19 19 GLY C C 19 176.227 176.227 174.863 1.365 17606 99 1 . 1 1 19 19 GLY CA C 19 45.890 45.890 46.552 -0.662 17606 100 1 . 1 1 19 19 GLY H H 19 8.857 8.857 8.753 0.104 17606 101 1 . 1 1 20 20 LYS HA H 20 4.184 4.184 4.297 -0.113 17606 102 1 . 1 1 20 20 LYS C C 20 177.694 177.694 177.584 0.110 17606 103 1 . 1 1 20 20 LYS CA C 20 58.379 58.379 57.165 1.214 17606 104 1 . 1 1 20 20 LYS CB C 20 32.493 32.493 32.825 -0.332 17606 105 1 . 1 1 20 20 LYS H H 20 6.723 6.723 8.372 -1.649 17606 106 1 . 1 1 21 21 THR N N 21 108.329 108.329 117.157 -8.828 17606 107 1 . 1 1 21 21 THR HA H 21 4.437 4.437 4.303 0.134 17606 108 1 . 1 1 21 21 THR C C 21 173.999 173.999 173.143 0.856 17606 109 1 . 1 1 21 21 THR CA C 21 60.895 60.895 62.421 -1.526 17606 110 1 . 1 1 21 21 THR CB C 21 68.907 68.907 68.122 0.785 17606 111 1 . 1 1 21 21 THR H H 21 7.839 7.839 7.816 0.023 17606 112 1 . 1 1 22 22 GLN N N 22 123.126 123.126 124.209 -1.083 17606 113 1 . 1 1 22 22 GLN HA H 22 4.430 4.430 4.723 -0.293 17606 114 1 . 1 1 22 22 GLN C C 22 175.190 175.190 174.669 0.521 17606 115 1 . 1 1 22 22 GLN CA C 22 56.795 56.795 55.134 1.661 17606 116 1 . 1 1 22 22 GLN CB C 22 31.031 31.031 30.308 0.723 17606 117 1 . 1 1 22 22 GLN H H 22 7.503 7.503 7.769 -0.266 17606 118 1 . 1 1 23 23 LYS N N 23 126.763 126.763 125.556 1.207 17606 119 1 . 1 1 23 23 LYS HA H 23 4.537 4.537 4.503 0.034 17606 120 1 . 1 1 23 23 LYS C C 23 174.087 174.087 174.189 -0.102 17606 121 1 . 1 1 23 23 LYS CA C 23 54.444 54.444 54.341 0.103 17606 122 1 . 1 1 23 23 LYS CB C 23 36.495 36.495 35.030 1.464 17606 123 1 . 1 1 23 23 LYS H H 23 8.937 8.937 8.476 0.461 17606 124 1 . 1 1 24 24 ILE N N 24 120.287 120.287 122.283 -1.996 17606 125 1 . 1 1 24 24 ILE HA H 24 4.750 4.750 4.852 -0.102 17606 126 1 . 1 1 24 24 ILE C C 24 175.772 175.772 175.582 0.190 17606 127 1 . 1 1 24 24 ILE CA C 24 59.920 59.920 59.863 0.057 17606 128 1 . 1 1 24 24 ILE CB C 24 39.254 39.254 39.043 0.211 17606 129 1 . 1 1 24 24 ILE H H 24 7.980 7.980 8.287 -0.307 17606 130 1 . 1 1 25 25 TYR N N 25 126.020 126.020 125.756 0.264 17606 131 1 . 1 1 25 25 TYR HA H 25 5.071 5.071 4.800 0.271 17606 132 1 . 1 1 25 25 TYR C C 25 175.859 175.859 174.357 1.502 17606 133 1 . 1 1 25 25 TYR CA C 25 55.860 55.860 54.934 0.926 17606 134 1 . 1 1 25 25 TYR CB C 25 42.467 42.467 40.750 1.717 17606 135 1 . 1 1 25 25 TYR H H 25 8.885 8.885 9.130 -0.245 17606 136 1 . 1 1 26 26 GLU N N 26 121.186 121.186 119.859 1.327 17606 137 1 . 1 1 26 26 GLU HA H 26 4.642 4.642 5.111 -0.469 17606 138 1 . 1 1 26 26 GLU C C 26 176.001 176.001 175.380 0.621 17606 139 1 . 1 1 26 26 GLU CA C 26 57.128 57.128 55.412 1.716 17606 140 1 . 1 1 26 26 GLU CB C 26 30.723 30.723 31.852 -1.129 17606 141 1 . 1 1 26 26 GLU H H 26 8.915 8.915 8.840 0.075 17606 142 1 . 1 1 27 27 ALA N N 27 125.281 125.281 127.345 -2.064 17606 143 1 . 1 1 27 27 ALA HA H 27 4.970 4.970 4.914 0.056 17606 144 1 . 1 1 27 27 ALA C C 27 175.178 175.178 175.239 -0.061 17606 145 1 . 1 1 27 27 ALA CA C 27 51.315 51.315 50.407 0.908 17606 146 1 . 1 1 27 27 ALA CB C 27 24.655 24.655 22.738 1.917 17606 147 1 . 1 1 27 27 ALA H H 27 8.834 8.834 9.103 -0.268 17606 148 1 . 1 1 28 28 SER N N 28 112.133 112.133 113.789 -1.656 17606 149 1 . 1 1 28 28 SER HA H 28 5.328 5.328 5.366 -0.038 17606 150 1 . 1 1 28 28 SER C C 28 174.404 174.404 174.021 0.383 17606 151 1 . 1 1 28 28 SER CA C 28 56.133 56.133 56.213 -0.080 17606 152 1 . 1 1 28 28 SER CB C 28 66.075 66.075 65.310 0.765 17606 153 1 . 1 1 28 28 SER H H 28 8.529 8.529 8.575 -0.046 17606 154 1 . 1 1 29 29 ILE N N 29 122.044 122.044 124.810 -2.766 17606 155 1 . 1 1 29 29 ILE HA H 29 4.142 4.142 3.989 0.153 17606 156 1 . 1 1 29 29 ILE C C 29 176.473 176.473 176.115 0.358 17606 157 1 . 1 1 29 29 ILE CA C 29 61.561 61.561 60.925 0.636 17606 158 1 . 1 1 29 29 ILE CB C 29 38.024 38.024 36.570 1.454 17606 159 1 . 1 1 29 29 ILE H H 29 8.431 8.431 8.885 -0.454 17606 160 1 . 1 1 30 30 LYS N N 30 128.795 128.795 128.524 0.271 17606 161 1 . 1 1 30 30 LYS HA H 30 4.410 4.410 4.399 0.011 17606 162 1 . 1 1 30 30 LYS C C 30 176.559 176.559 176.152 0.407 17606 163 1 . 1 1 30 30 LYS CA C 30 57.009 57.009 56.252 0.757 17606 164 1 . 1 1 30 30 LYS CB C 30 33.881 33.881 34.618 -0.737 17606 165 1 . 1 1 30 30 LYS H H 30 9.687 9.687 8.957 0.730 17606 166 1 . 1 1 31 31 SER N N 31 111.044 111.044 112.315 -1.271 17606 167 1 . 1 1 31 31 SER HA H 31 4.671 4.671 4.781 -0.110 17606 168 1 . 1 1 31 31 SER C C 31 172.457 172.457 172.272 0.185 17606 169 1 . 1 1 31 31 SER CA C 31 57.353 57.353 57.620 -0.267 17606 170 1 . 1 1 31 31 SER CB C 31 64.824 64.824 65.905 -1.081 17606 171 1 . 1 1 31 31 SER H H 31 7.537 7.537 7.801 -0.264 17606 172 1 . 1 1 32 32 THR N N 32 113.911 113.911 116.302 -2.391 17606 173 1 . 1 1 32 32 THR HA H 32 5.564 5.564 4.997 0.567 17606 174 1 . 1 1 32 32 THR C C 32 173.003 173.003 173.189 -0.186 17606 175 1 . 1 1 32 32 THR CA C 32 60.589 60.589 61.193 -0.604 17606 176 1 . 1 1 32 32 THR CB C 32 72.217 72.217 71.408 0.809 17606 177 1 . 1 1 32 32 THR H H 32 8.237 8.237 8.364 -0.127 17606 178 1 . 1 1 33 33 GLU N N 33 123.514 123.514 122.686 0.828 17606 179 1 . 1 1 33 33 GLU HA H 33 4.628 4.628 4.706 -0.078 17606 180 1 . 1 1 33 33 GLU C C 33 173.487 173.487 174.422 -0.935 17606 181 1 . 1 1 33 33 GLU CA C 33 55.456 55.456 55.009 0.447 17606 182 1 . 1 1 33 33 GLU CB C 33 34.099 34.099 33.894 0.205 17606 183 1 . 1 1 33 33 GLU H H 33 8.970 8.970 9.161 -0.191 17606 184 1 . 1 1 34 34 ILE N N 34 122.095 122.095 121.576 0.519 17606 185 1 . 1 1 34 34 ILE HA H 34 4.735 4.735 4.826 -0.091 17606 186 1 . 1 1 34 34 ILE C C 34 175.620 175.620 175.178 0.442 17606 187 1 . 1 1 34 34 ILE CA C 34 60.047 60.047 60.194 -0.147 17606 188 1 . 1 1 34 34 ILE CB C 34 38.657 38.657 39.211 -0.554 17606 189 1 . 1 1 34 34 ILE H H 34 8.505 8.505 8.573 -0.068 17606 190 1 . 1 1 35 35 ASP N N 35 127.840 127.840 128.315 -0.475 17606 191 1 . 1 1 35 35 ASP HA H 35 4.773 4.773 4.803 -0.030 17606 192 1 . 1 1 35 35 ASP C C 35 175.804 175.804 175.574 0.230 17606 193 1 . 1 1 35 35 ASP CA C 35 53.235 53.235 53.310 -0.075 17606 194 1 . 1 1 35 35 ASP CB C 35 43.419 43.419 43.568 -0.149 17606 195 1 . 1 1 35 35 ASP H H 35 8.948 8.948 9.076 -0.128 17606 196 1 . 1 1 36 36 ASP N N 36 127.315 127.315 126.110 1.205 17606 197 1 . 1 1 36 36 ASP HA H 36 4.263 4.263 4.328 -0.065 17606 198 1 . 1 1 36 36 ASP C C 36 175.993 175.993 176.389 -0.396 17606 199 1 . 1 1 36 36 ASP CA C 36 55.120 55.120 54.535 0.585 17606 200 1 . 1 1 36 36 ASP CB C 36 39.659 39.659 40.595 -0.936 17606 201 1 . 1 1 36 36 ASP H H 36 9.065 9.065 8.849 0.216 17606 202 1 . 1 1 37 37 GLY N N 37 103.112 103.112 105.388 -2.276 17606 203 1 . 1 1 37 37 GLY C C 37 173.541 173.541 173.685 -0.145 17606 204 1 . 1 1 37 37 GLY CA C 37 45.471 45.471 45.144 0.327 17606 205 1 . 1 1 37 37 GLY H H 37 8.045 8.045 8.404 -0.359 17606 206 1 . 1 1 38 38 GLU N N 38 121.172 121.172 119.673 1.499 17606 207 1 . 1 1 38 38 GLU HA H 38 4.651 4.651 4.666 -0.015 17606 208 1 . 1 1 38 38 GLU C C 38 174.246 174.246 174.990 -0.744 17606 209 1 . 1 1 38 38 GLU CA C 38 54.719 54.719 54.563 0.156 17606 210 1 . 1 1 38 38 GLU CB C 38 32.205 32.205 32.023 0.183 17606 211 1 . 1 1 38 38 GLU H H 38 7.769 7.769 7.657 0.112 17606 212 1 . 1 1 39 39 VAL N N 39 123.983 123.983 122.743 1.240 17606 213 1 . 1 1 39 39 VAL HA H 39 4.210 4.210 4.690 -0.480 17606 214 1 . 1 1 39 39 VAL C C 39 174.546 174.546 174.833 -0.287 17606 215 1 . 1 1 39 39 VAL CA C 39 63.041 63.041 61.529 1.512 17606 216 1 . 1 1 39 39 VAL CB C 39 32.269 32.269 32.230 0.039 17606 217 1 . 1 1 39 39 VAL H H 39 8.455 8.455 8.748 -0.293 17606 218 1 . 1 1 40 40 LEU N N 40 127.105 127.105 127.996 -0.891 17606 219 1 . 1 1 40 40 LEU HA H 40 5.092 5.092 5.133 -0.041 17606 220 1 . 1 1 40 40 LEU C C 40 175.819 175.819 175.774 0.045 17606 221 1 . 1 1 40 40 LEU CA C 40 53.253 53.253 53.622 -0.369 17606 222 1 . 1 1 40 40 LEU CB C 40 46.490 46.490 44.230 2.260 17606 223 1 . 1 1 40 40 LEU H H 40 8.947 8.947 9.125 -0.178 17606 224 1 . 1 1 41 41 TYR N N 41 119.021 119.021 120.618 -1.597 17606 225 1 . 1 1 41 41 TYR HA H 41 5.107 5.107 4.998 0.109 17606 226 1 . 1 1 41 41 TYR C C 41 173.968 173.968 174.467 -0.498 17606 227 1 . 1 1 41 41 TYR CA C 41 56.856 56.856 57.076 -0.220 17606 228 1 . 1 1 41 41 TYR CB C 41 41.142 41.142 41.491 -0.349 17606 229 1 . 1 1 41 41 TYR H H 41 9.337 9.337 9.574 -0.237 17606 230 1 . 1 1 42 42 LEU N N 42 128.770 128.770 124.426 4.344 17606 231 1 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.503 -0.530 17606 232 1 . 1 1 42 42 LEU C C 42 175.491 175.491 174.699 0.792 17606 233 1 . 1 1 42 42 LEU CA C 42 53.367 53.367 52.931 0.436 17606 234 1 . 1 1 42 42 LEU CB C 42 39.696 39.696 43.026 -3.330 17606 235 1 . 1 1 42 42 LEU H H 42 8.304 8.304 8.898 -0.594 17606 236 1 . 1 1 43 43 VAL N N 43 121.269 121.269 122.232 -0.963 17606 237 1 . 1 1 43 43 VAL HA H 43 4.980 4.980 4.928 0.052 17606 238 1 . 1 1 43 43 VAL C C 43 173.257 173.257 173.544 -0.287 17606 239 1 . 1 1 43 43 VAL CA C 43 58.311 58.311 59.001 -0.690 17606 240 1 . 1 1 43 43 VAL CB C 43 34.054 34.054 34.975 -0.921 17606 241 1 . 1 1 43 43 VAL H H 43 8.847 8.847 8.910 -0.063 17606 242 1 . 1 1 44 44 HIS N N 44 118.126 118.126 120.990 -2.865 17606 243 1 . 1 1 44 44 HIS C C 44 174.272 174.272 173.964 0.308 17606 244 1 . 1 1 44 44 HIS CA C 44 53.319 53.319 52.847 0.472 17606 245 1 . 1 1 44 44 HIS CB C 44 31.016 31.016 32.500 -1.484 17606 246 1 . 1 1 44 44 HIS H H 44 8.286 8.286 8.635 -0.350 17606 247 1 . 1 1 45 45 TYR N N 45 127.711 127.711 124.086 3.625 17606 248 1 . 1 1 45 45 TYR HA H 45 4.099 4.099 4.510 -0.411 17606 249 1 . 1 1 45 45 TYR C C 45 175.343 175.343 175.866 -0.523 17606 250 1 . 1 1 45 45 TYR CA C 45 58.240 58.240 57.745 0.495 17606 251 1 . 1 1 45 45 TYR CB C 45 37.500 37.500 37.544 -0.044 17606 252 1 . 1 1 45 45 TYR H H 45 8.013 8.013 8.314 -0.301 17606 253 1 . 1 1 46 46 TYR N N 46 121.373 121.373 122.739 -1.366 17606 254 1 . 1 1 46 46 TYR HA H 46 4.214 4.214 4.409 -0.195 17606 255 1 . 1 1 46 46 TYR CA C 46 58.945 58.945 58.628 0.317 17606 256 1 . 1 1 46 46 TYR CB C 46 38.400 38.400 37.935 0.465 17606 257 1 . 1 1 46 46 TYR H H 46 7.842 7.842 8.311 -0.469 17606 258 1 . 1 1 47 47 GLY CA C 47 45.147 45.147 45.027 0.120 17606 259 1 . 1 1 48 48 TRP N N 48 121.413 121.413 122.052 -0.639 17606 260 1 . 1 1 48 48 TRP CA C 48 55.966 55.966 57.145 -1.179 17606 261 1 . 1 1 48 48 TRP CB C 48 30.399 30.399 30.556 -0.157 17606 262 1 . 1 1 48 48 TRP H H 48 8.105 8.105 7.995 0.110 17606 263 1 . 1 1 50 50 VAL HA H 50 4.174 4.174 4.098 0.076 17606 264 1 . 1 1 50 50 VAL CA C 50 62.883 62.883 64.096 -1.213 17606 265 1 . 1 1 50 50 VAL CB C 50 32.224 32.224 32.171 0.053 17606 266 1 . 1 1 51 51 ARG HA H 51 4.118 4.118 4.220 -0.102 17606 267 1 . 1 1 51 51 ARG C C 51 176.010 176.010 176.467 -0.457 17606 268 1 . 1 1 51 51 ARG CA C 51 57.004 57.004 56.778 0.226 17606 269 1 . 1 1 51 51 ARG CB C 51 29.934 29.934 30.311 -0.377 17606 270 1 . 1 1 52 52 TYR N N 52 119.263 119.263 119.830 -0.567 17606 271 1 . 1 1 52 52 TYR HA H 52 4.636 4.636 4.487 0.149 17606 272 1 . 1 1 52 52 TYR CA C 52 58.000 58.000 57.826 0.174 17606 273 1 . 1 1 52 52 TYR CB C 52 38.804 38.804 38.411 0.393 17606 274 1 . 1 1 52 52 TYR H H 52 7.860 7.860 7.898 -0.038 17606 275 1 . 1 1 53 53 ASP N N 53 122.103 122.103 122.154 -0.051 17606 276 1 . 1 1 53 53 ASP HA H 53 4.977 4.977 4.695 0.282 17606 277 1 . 1 1 53 53 ASP CA C 53 55.272 55.272 54.243 1.029 17606 278 1 . 1 1 53 53 ASP CB C 53 40.304 40.304 41.917 -1.613 17606 279 1 . 1 1 53 53 ASP H H 53 8.014 8.014 8.015 -0.001 17606 280 1 . 1 1 54 54 GLU N N 54 119.733 119.733 123.197 -3.464 17606 281 1 . 1 1 54 54 GLU HA H 54 4.773 4.773 4.677 0.096 17606 282 1 . 1 1 54 54 GLU C C 54 174.099 174.099 174.667 -0.568 17606 283 1 . 1 1 54 54 GLU CA C 54 54.878 54.878 54.489 0.389 17606 284 1 . 1 1 54 54 GLU CB C 54 34.131 34.131 33.758 0.373 17606 285 1 . 1 1 54 54 GLU H H 54 8.018 8.018 8.402 -0.384 17606 286 1 . 1 1 55 55 TRP N N 55 124.675 124.675 123.167 1.508 17606 287 1 . 1 1 55 55 TRP HA H 55 5.244 5.244 5.737 -0.493 17606 288 1 . 1 1 55 55 TRP C C 55 177.088 177.088 176.277 0.811 17606 289 1 . 1 1 55 55 TRP CA C 55 56.389 56.389 56.216 0.173 17606 290 1 . 1 1 55 55 TRP CB C 55 29.413 29.413 30.728 -1.316 17606 291 1 . 1 1 55 55 TRP H H 55 8.760 8.760 8.655 0.105 17606 292 1 . 1 1 56 56 VAL N N 56 119.873 119.873 118.407 1.466 17606 293 1 . 1 1 56 56 VAL HA H 56 4.924 4.924 4.745 0.179 17606 294 1 . 1 1 56 56 VAL C C 56 174.866 174.866 174.204 0.662 17606 295 1 . 1 1 56 56 VAL CA C 56 58.968 58.968 59.040 -0.072 17606 296 1 . 1 1 56 56 VAL CB C 56 35.861 35.861 35.488 0.373 17606 297 1 . 1 1 56 56 VAL H H 56 10.006 10.006 9.032 0.974 17606 298 1 . 1 1 57 57 LYS N N 57 120.466 120.466 123.568 -3.102 17606 299 1 . 1 1 57 57 LYS HA H 57 4.865 4.865 4.982 -0.117 17606 300 1 . 1 1 57 57 LYS C C 57 178.120 178.120 178.038 0.082 17606 301 1 . 1 1 57 57 LYS CA C 57 56.441 56.441 55.858 0.583 17606 302 1 . 1 1 57 57 LYS CB C 57 34.184 34.184 34.275 -0.091 17606 303 1 . 1 1 57 57 LYS H H 57 8.361 8.361 8.496 -0.135 17606 304 1 . 1 1 58 58 ALA N N 58 120.318 120.318 125.586 -5.268 17606 305 1 . 1 1 58 58 ALA HA H 58 4.154 4.154 4.136 0.018 17606 306 1 . 1 1 58 58 ALA C C 58 179.508 179.508 179.254 0.254 17606 307 1 . 1 1 58 58 ALA CA C 58 55.689 55.689 55.608 0.081 17606 308 1 . 1 1 58 58 ALA CB C 58 19.474 19.474 18.848 0.626 17606 309 1 . 1 1 58 58 ALA H H 58 9.064 9.064 8.816 0.248 17606 310 1 . 1 1 59 59 ASP N N 59 113.824 113.824 115.782 -1.958 17606 311 1 . 1 1 59 59 ASP HA H 59 4.537 4.537 4.495 0.042 17606 312 1 . 1 1 59 59 ASP C C 59 177.499 177.499 176.871 0.628 17606 313 1 . 1 1 59 59 ASP CA C 59 55.653 55.653 56.061 -0.408 17606 314 1 . 1 1 59 59 ASP CB C 59 39.734 39.734 40.406 -0.672 17606 315 1 . 1 1 59 59 ASP H H 59 8.256 8.256 8.721 -0.465 17606 316 1 . 1 1 60 60 ARG N N 60 118.041 118.041 117.256 0.785 17606 317 1 . 1 1 60 60 ARG HA H 60 4.291 4.291 4.484 -0.193 17606 318 1 . 1 1 60 60 ARG C C 60 174.918 174.918 174.999 -0.080 17606 319 1 . 1 1 60 60 ARG CA C 60 56.144 56.144 55.036 1.108 17606 320 1 . 1 1 60 60 ARG CB C 60 31.009 31.009 30.814 0.195 17606 321 1 . 1 1 60 60 ARG H H 60 7.931 7.931 7.811 0.120 17606 322 1 . 1 1 61 61 ILE N N 61 118.787 118.787 119.750 -0.963 17606 323 1 . 1 1 61 61 ILE HA H 61 4.117 4.117 4.585 -0.468 17606 324 1 . 1 1 61 61 ILE C C 61 175.243 175.243 175.467 -0.224 17606 325 1 . 1 1 61 61 ILE CA C 61 60.413 60.413 59.876 0.537 17606 326 1 . 1 1 61 61 ILE CB C 61 38.428 38.428 40.446 -2.018 17606 327 1 . 1 1 61 61 ILE H H 61 7.463 7.463 7.413 0.050 17606 328 1 . 1 1 62 62 ILE N N 62 127.975 127.975 125.452 2.523 17606 329 1 . 1 1 62 62 ILE HA H 62 4.156 4.156 4.369 -0.213 17606 330 1 . 1 1 62 62 ILE C C 62 175.867 175.867 174.791 1.076 17606 331 1 . 1 1 62 62 ILE CA C 62 60.436 60.436 59.890 0.545 17606 332 1 . 1 1 62 62 ILE CB C 62 38.319 38.319 38.352 -0.033 17606 333 1 . 1 1 62 62 ILE H H 62 8.773 8.773 8.888 -0.115 17606 334 1 . 1 1 63 63 TRP N N 63 131.233 131.233 129.682 1.551 17606 335 1 . 1 1 63 63 TRP HA H 63 4.562 4.562 4.834 -0.272 17606 336 1 . 1 1 63 63 TRP C C 63 174.859 174.859 174.571 0.288 17606 337 1 . 1 1 63 63 TRP CA C 63 55.542 55.542 55.608 -0.066 17606 338 1 . 1 1 63 63 TRP CB C 63 28.659 28.659 29.328 -0.668 17606 339 1 . 1 1 63 63 TRP H H 63 8.506 8.506 8.439 0.067 17606 340 1 . 1 1 64 64 PRO HA H 64 4.549 4.549 4.456 0.093 17606 341 1 . 1 1 64 64 PRO C C 64 176.966 176.966 175.827 1.139 17606 342 1 . 1 1 64 64 PRO CA C 64 63.131 63.131 63.400 -0.269 17606 343 1 . 1 1 64 64 PRO CB C 64 32.025 32.025 31.872 0.153 17606 344 1 . 1 1 65 65 LEU N N 65 121.886 121.886 125.669 -3.783 17606 345 1 . 1 1 65 65 LEU HA H 65 4.333 4.333 4.409 -0.076 17606 346 1 . 1 1 65 65 LEU C C 65 177.243 177.243 175.969 1.274 17606 347 1 . 1 1 65 65 LEU CA C 65 55.492 55.492 54.738 0.754 17606 348 1 . 1 1 65 65 LEU CB C 65 42.370 42.370 43.674 -1.304 17606 349 1 . 1 1 65 65 LEU H H 65 8.426 8.426 8.050 0.376 17606 350 1 . 1 1 66 66 ASP N N 66 120.509 120.509 122.048 -1.539 17606 351 1 . 1 1 66 66 ASP HA H 66 4.578 4.578 4.430 0.148 17606 352 1 . 1 1 66 66 ASP C C 66 176.402 176.402 175.602 0.800 17606 353 1 . 1 1 66 66 ASP CA C 66 54.249 54.249 55.549 -1.300 17606 354 1 . 1 1 66 66 ASP CB C 66 41.156 41.156 40.706 0.450 17606 355 1 . 1 1 66 66 ASP H H 66 8.348 8.348 8.600 -0.252 17606 356 1 . 1 1 67 67 LYS N N 67 121.925 121.925 121.317 0.608 17606 357 1 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.362 -0.084 17606 358 1 . 1 1 67 67 LYS C C 67 177.158 177.158 176.598 0.560 17606 359 1 . 1 1 67 67 LYS CA C 67 56.599 56.599 56.220 0.379 17606 360 1 . 1 1 67 67 LYS CB C 67 32.753 32.753 32.697 0.056 17606 361 1 . 1 1 67 67 LYS H H 67 8.327 8.327 8.225 0.102 17606 362 1 . 1 1 68 68 GLY N N 68 109.417 109.417 108.728 0.689 17606 363 1 . 1 1 68 68 GLY C C 68 174.413 174.413 174.006 0.407 17606 364 1 . 1 1 68 68 GLY CA C 68 45.623 45.623 45.034 0.589 17606 365 1 . 1 1 68 68 GLY H H 68 8.558 8.558 8.380 0.178 17606 366 1 . 1 1 69 69 LEU N N 69 120.937 120.937 120.790 0.147 17606 367 1 . 1 1 69 69 LEU HA H 69 4.255 4.255 4.342 -0.087 17606 368 1 . 1 1 69 69 LEU C C 69 177.559 177.559 176.415 1.144 17606 369 1 . 1 1 69 69 LEU CA C 69 55.326 55.326 54.889 0.437 17606 370 1 . 1 1 69 69 LEU CB C 69 42.169 42.169 41.995 0.174 17606 371 1 . 1 1 69 69 LEU H H 69 7.972 7.972 8.045 -0.073 17606 372 1 . 1 1 70 70 GLU N N 70 120.764 120.764 121.523 -0.759 17606 373 1 . 1 1 70 70 GLU HA H 70 4.126 4.126 4.317 -0.191 17606 374 1 . 1 1 70 70 GLU C C 70 176.435 176.435 175.769 0.666 17606 375 1 . 1 1 70 70 GLU CA C 70 57.150 57.150 56.463 0.687 17606 376 1 . 1 1 70 70 GLU CB C 70 29.859 29.859 30.394 -0.535 17606 377 1 . 1 1 70 70 GLU H H 70 8.443 8.443 8.384 0.059 17606 378 1 . 1 1 71 71 HIS N N 71 119.554 119.554 122.204 -2.650 17606 379 1 . 1 1 71 71 HIS HA H 71 4.598 4.598 4.804 -0.206 17606 380 1 . 1 1 71 71 HIS C C 71 174.001 174.001 175.022 -1.021 17606 381 1 . 1 1 71 71 HIS CA C 71 56.078 56.078 55.414 0.664 17606 382 1 . 1 1 71 71 HIS CB C 71 30.551 30.551 30.067 0.484 17606 383 1 . 1 1 71 71 HIS H H 71 8.223 8.223 8.448 -0.225 17606 384 1 . 1 1 72 72 HIS N N 72 125.509 125.509 121.651 3.858 17606 385 1 . 1 1 72 72 HIS HA H 72 4.414 4.414 4.451 -0.037 17606 386 1 . 1 1 72 72 HIS C C 72 179.225 179.225 175.388 3.837 17606 387 1 . 1 1 72 72 HIS CA C 72 57.363 57.363 57.791 -0.428 17606 388 1 . 1 1 72 72 HIS CB C 72 30.450 30.450 30.436 0.014 17606 389 1 . 1 1 72 72 HIS H H 72 8.101 8.101 8.523 -0.422 17606 390 1 . 1 1 73 73 HIS HA H 73 4.544 4.544 4.581 -0.037 17606 391 1 . 1 1 73 73 HIS CA C 73 56.078 56.078 56.131 -0.053 17606 392 1 . 1 1 73 73 HIS CB C 73 30.551 30.551 29.836 0.716 17606 393 1 . 1 1 74 74 HIS N N 74 120.202 120.202 120.724 -0.522 17606 394 1 . 1 1 74 74 HIS HA H 74 4.202 4.202 4.567 -0.365 17606 395 1 . 1 1 74 74 HIS CA C 74 56.035 56.035 56.425 -0.390 17606 396 1 . 1 1 74 74 HIS CB C 74 30.232 30.232 30.182 0.050 17606 397 1 . 1 1 74 74 HIS H H 74 8.189 8.189 8.325 -0.136 17606 398 1 . 1 1 75 75 HIS N N 75 120.367 120.367 120.315 0.052 17606 399 1 . 1 1 75 75 HIS HA H 75 4.423 4.423 4.619 -0.196 17606 400 1 . 1 1 75 75 HIS CA C 75 55.515 55.515 56.162 -0.647 17606 401 1 . 1 1 75 75 HIS CB C 75 33.268 33.268 30.347 2.921 17606 402 1 . 1 1 75 75 HIS H H 75 8.258 8.258 8.319 -0.061 17606 stop_ save_