data_19547 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19547 _Entry.PDB_ID 2MFF 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 19547 _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 LEU N N 2 125.858 125.858 125.881 -0.023 19547 2 1 1 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.832 -0.244 19547 3 1 1 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.071 -0.894 19547 4 1 1 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.098 -0.715 19547 5 1 1 . 1 1 2 2 LEU H H 2 8.415 8.415 8.454 -0.039 19547 6 1 1 . 1 1 3 3 ILE N N 3 130.863 130.863 123.418 7.445 19547 7 1 1 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.456 0.397 19547 8 1 1 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.877 -0.558 19547 9 1 1 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.435 -1.384 19547 10 1 1 . 1 1 3 3 ILE H H 3 10.198 10.198 8.293 1.905 19547 11 1 1 . 1 1 4 4 LEU N N 4 123.561 123.561 125.636 -2.075 19547 12 1 1 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.677 -0.134 19547 13 1 1 . 1 1 4 4 LEU CA C 4 52.407 52.407 54.117 -1.710 19547 14 1 1 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.918 1.432 19547 15 1 1 . 1 1 4 4 LEU H H 4 8.846 8.846 8.322 0.524 19547 16 1 1 . 1 1 5 5 THR N N 5 123.256 123.256 117.546 5.710 19547 17 1 1 . 1 1 5 5 THR HA H 5 5.469 5.469 4.713 0.756 19547 18 1 1 . 1 1 5 5 THR CA C 5 60.415 60.415 61.546 -1.131 19547 19 1 1 . 1 1 5 5 THR CB C 5 69.449 69.449 69.495 -0.046 19547 20 1 1 . 1 1 5 5 THR H H 5 9.094 9.094 8.367 0.727 19547 21 1 1 . 1 1 6 6 ARG N N 6 123.316 123.316 123.238 0.078 19547 22 1 1 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.691 0.218 19547 23 1 1 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.836 0.220 19547 24 1 1 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.252 5.468 19547 25 1 1 . 1 1 6 6 ARG H H 6 9.161 9.161 8.455 0.706 19547 26 1 1 . 1 1 7 7 LYS N N 7 122.466 122.466 120.879 1.587 19547 27 1 1 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.668 0.545 19547 28 1 1 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.041 -1.017 19547 29 1 1 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.428 -1.519 19547 30 1 1 . 1 1 7 7 LYS H H 7 9.295 9.295 8.804 0.491 19547 31 1 1 . 1 1 8 8 VAL N N 8 118.123 118.123 118.381 -0.258 19547 32 1 1 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.927 -0.649 19547 33 1 1 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.306 2.608 19547 34 1 1 . 1 1 8 8 VAL CB C 8 31.589 31.589 31.365 0.224 19547 35 1 1 . 1 1 8 8 VAL H H 8 7.576 7.576 8.238 -0.662 19547 36 1 1 . 1 1 9 9 GLY N N 9 116.005 116.005 114.507 1.498 19547 37 1 1 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.862 -0.280 19547 38 1 1 . 1 1 9 9 GLY H H 9 9.255 9.255 9.152 0.103 19547 39 1 1 . 1 1 10 10 GLU N N 10 119.485 119.485 119.752 -0.267 19547 40 1 1 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.771 0.111 19547 41 1 1 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.333 1.359 19547 42 1 1 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.779 -0.196 19547 43 1 1 . 1 1 10 10 GLU H H 10 8.364 8.364 7.876 0.488 19547 44 1 1 . 1 1 11 11 SER N N 11 112.365 112.365 113.551 -1.186 19547 45 1 1 . 1 1 11 11 SER HA H 11 5.866 5.866 5.464 0.402 19547 46 1 1 . 1 1 11 11 SER CA C 11 57.942 57.942 57.084 0.858 19547 47 1 1 . 1 1 11 11 SER CB C 11 67.035 67.035 66.064 0.971 19547 48 1 1 . 1 1 11 11 SER H H 11 8.620 8.620 8.405 0.215 19547 49 1 1 . 1 1 12 12 ILE N N 12 124.398 124.398 119.944 4.454 19547 50 1 1 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.463 -0.121 19547 51 1 1 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.975 -0.076 19547 52 1 1 . 1 1 12 12 ILE CB C 12 42.791 42.791 43.043 -0.252 19547 53 1 1 . 1 1 12 12 ILE H H 12 9.260 9.260 8.912 0.348 19547 54 1 1 . 1 1 13 13 ASN N N 13 126.218 126.218 120.759 5.459 19547 55 1 1 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.114 -0.090 19547 56 1 1 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.443 0.876 19547 57 1 1 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.501 -0.038 19547 58 1 1 . 1 1 13 13 ASN H H 13 9.364 9.364 8.501 0.863 19547 59 1 1 . 1 1 14 14 ILE N N 14 123.971 123.971 121.200 2.771 19547 60 1 1 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.446 0.010 19547 61 1 1 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.735 -0.164 19547 62 1 1 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.327 -2.803 19547 63 1 1 . 1 1 14 14 ILE H H 14 8.451 8.451 8.461 -0.010 19547 64 1 1 . 1 1 15 15 GLY N N 15 115.306 115.306 113.990 1.316 19547 65 1 1 . 1 1 15 15 GLY CA C 15 46.060 46.060 45.962 0.098 19547 66 1 1 . 1 1 15 15 GLY H H 15 9.075 9.075 8.617 0.458 19547 67 1 1 . 1 1 16 16 ASP N N 16 120.409 120.409 122.714 -2.305 19547 68 1 1 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.752 0.157 19547 69 1 1 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.284 1.073 19547 70 1 1 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.285 0.985 19547 71 1 1 . 1 1 16 16 ASP H H 16 8.713 8.713 8.376 0.337 19547 72 1 1 . 1 1 17 17 ASP N N 17 115.565 115.565 119.884 -4.319 19547 73 1 1 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.902 -0.173 19547 74 1 1 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.571 -0.448 19547 75 1 1 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.731 -1.213 19547 76 1 1 . 1 1 17 17 ASP H H 17 8.149 8.149 7.884 0.265 19547 77 1 1 . 1 1 18 18 ILE N N 18 118.660 118.660 119.707 -1.047 19547 78 1 1 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.023 0.155 19547 79 1 1 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.165 -0.011 19547 80 1 1 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.381 -2.769 19547 81 1 1 . 1 1 18 18 ILE H H 18 7.181 7.181 7.740 -0.559 19547 82 1 1 . 1 1 19 19 THR N N 19 122.893 122.893 120.483 2.410 19547 83 1 1 . 1 1 19 19 THR HA H 19 5.104 5.104 5.051 0.053 19547 84 1 1 . 1 1 19 19 THR CA C 19 60.949 60.949 61.420 -0.471 19547 85 1 1 . 1 1 19 19 THR CB C 19 71.669 71.669 72.434 -0.765 19547 86 1 1 . 1 1 19 19 THR H H 19 8.922 8.922 8.534 0.388 19547 87 1 1 . 1 1 20 20 ILE N N 20 123.852 123.852 122.047 1.805 19547 88 1 1 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.946 -0.105 19547 89 1 1 . 1 1 20 20 ILE CA C 20 58.930 58.930 58.936 -0.006 19547 90 1 1 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.715 -1.415 19547 91 1 1 . 1 1 20 20 ILE H H 20 8.930 8.930 9.192 -0.262 19547 92 1 1 . 1 1 21 21 THR N N 21 123.855 123.855 119.775 4.080 19547 93 1 1 . 1 1 21 21 THR HA H 21 4.821 4.821 5.001 -0.180 19547 94 1 1 . 1 1 21 21 THR CA C 21 61.436 61.436 61.879 -0.443 19547 95 1 1 . 1 1 21 21 THR CB C 21 71.939 71.939 72.301 -0.362 19547 96 1 1 . 1 1 21 21 THR H H 21 9.372 9.372 9.003 0.369 19547 97 1 1 . 1 1 22 22 ILE N N 22 125.561 125.561 126.722 -1.161 19547 98 1 1 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.735 -0.643 19547 99 1 1 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.138 0.965 19547 100 1 1 . 1 1 22 22 ILE CB C 22 33.852 33.852 38.031 -4.178 19547 101 1 1 . 1 1 22 22 ILE H H 22 8.107 8.107 8.651 -0.544 19547 102 1 1 . 1 1 23 23 LEU N N 23 129.208 129.208 127.968 1.240 19547 103 1 1 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.293 -0.026 19547 104 1 1 . 1 1 23 23 LEU CA C 23 55.490 55.490 56.090 -0.600 19547 105 1 1 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.575 0.658 19547 106 1 1 . 1 1 23 23 LEU H H 23 8.910 8.910 8.298 0.612 19547 107 1 1 . 1 1 24 24 GLY N N 24 104.396 104.396 104.682 -0.286 19547 108 1 1 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.880 1.088 19547 109 1 1 . 1 1 24 24 GLY H H 24 7.493 7.493 7.572 -0.079 19547 110 1 1 . 1 1 25 25 VAL N N 25 120.463 120.463 116.210 4.253 19547 111 1 1 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.811 -0.190 19547 112 1 1 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.684 2.839 19547 113 1 1 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.800 -0.067 19547 114 1 1 . 1 1 25 25 VAL H H 25 8.406 8.406 8.134 0.272 19547 115 1 1 . 1 1 26 26 SER N N 26 121.835 121.835 117.461 4.374 19547 116 1 1 . 1 1 26 26 SER HA H 26 4.612 4.612 4.704 -0.092 19547 117 1 1 . 1 1 26 26 SER CA C 26 56.564 56.564 57.475 -0.911 19547 118 1 1 . 1 1 26 26 SER CB C 26 63.858 63.858 63.309 0.549 19547 119 1 1 . 1 1 26 26 SER H H 26 8.545 8.545 8.568 -0.023 19547 120 1 1 . 1 1 27 27 GLY N N 27 118.379 118.379 111.356 7.023 19547 121 1 1 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.567 1.860 19547 122 1 1 . 1 1 27 27 GLY H H 27 8.714 8.714 8.534 0.180 19547 123 1 1 . 1 1 28 28 GLN N N 28 124.776 124.776 122.836 1.940 19547 124 1 1 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.518 -0.229 19547 125 1 1 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.412 -0.413 19547 126 1 1 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.763 0.181 19547 127 1 1 . 1 1 28 28 GLN H H 28 9.208 9.208 8.600 0.608 19547 128 1 1 . 1 1 29 29 GLN N N 29 118.507 118.507 120.058 -1.551 19547 129 1 1 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.419 0.153 19547 130 1 1 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.052 1.334 19547 131 1 1 . 1 1 29 29 GLN H H 29 8.423 8.423 8.008 0.415 19547 132 1 1 . 1 1 30 30 VAL N N 30 126.854 126.854 120.684 6.170 19547 133 1 1 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.419 0.137 19547 134 1 1 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.391 -0.780 19547 135 1 1 . 1 1 30 30 VAL CB C 30 34.293 34.293 34.097 0.196 19547 136 1 1 . 1 1 30 30 VAL H H 30 9.304 9.304 8.352 0.952 19547 137 1 1 . 1 1 31 31 ARG N N 31 127.878 127.878 127.338 0.540 19547 138 1 1 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.672 -0.063 19547 139 1 1 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.132 1.436 19547 140 1 1 . 1 1 31 31 ARG CB C 31 31.531 31.531 30.279 1.252 19547 141 1 1 . 1 1 31 31 ARG H H 31 8.683 8.683 8.947 -0.264 19547 142 1 1 . 1 1 32 32 ILE N N 32 127.071 127.071 123.741 3.330 19547 143 1 1 . 1 1 32 32 ILE CB C 32 40.655 40.655 41.821 -1.166 19547 144 1 1 . 1 1 32 32 ILE H H 32 8.958 8.958 8.571 0.387 19547 145 1 1 . 1 1 33 33 GLY N N 33 112.801 112.801 113.479 -0.678 19547 146 1 1 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.623 0.952 19547 147 1 1 . 1 1 33 33 GLY H H 33 9.114 9.114 8.960 0.154 19547 148 1 1 . 1 1 34 34 ILE N N 34 125.117 125.117 119.127 5.990 19547 149 1 1 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.757 0.046 19547 150 1 1 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.305 0.488 19547 151 1 1 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.495 -1.396 19547 152 1 1 . 1 1 34 34 ILE H H 34 9.566 9.566 8.138 1.428 19547 153 1 1 . 1 1 35 35 ASN N N 35 129.274 129.274 123.681 5.593 19547 154 1 1 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.944 0.135 19547 155 1 1 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.554 -0.368 19547 156 1 1 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.919 0.397 19547 157 1 1 . 1 1 35 35 ASN H H 35 8.908 8.908 8.855 0.053 19547 158 1 1 . 1 1 36 36 ALA N N 36 125.590 125.590 127.080 -1.490 19547 159 1 1 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.272 -0.210 19547 160 1 1 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.275 0.074 19547 161 1 1 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.994 -1.093 19547 162 1 1 . 1 1 36 36 ALA H H 36 8.241 8.241 8.030 0.211 19547 163 1 1 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.548 -0.143 19547 164 1 1 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.159 0.737 19547 165 1 1 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.444 -0.042 19547 166 1 1 . 1 1 38 38 LYS N N 38 120.951 120.951 120.476 0.475 19547 167 1 1 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.112 -0.349 19547 168 1 1 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.605 1.227 19547 169 1 1 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.654 0.274 19547 170 1 1 . 1 1 38 38 LYS H H 38 8.549 8.549 8.500 0.049 19547 171 1 1 . 1 1 39 39 ASP N N 39 113.835 113.835 118.550 -4.715 19547 172 1 1 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.501 -0.155 19547 173 1 1 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.860 -0.791 19547 174 1 1 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.123 -1.249 19547 175 1 1 . 1 1 39 39 ASP H H 39 8.126 8.126 8.250 -0.124 19547 176 1 1 . 1 1 40 40 VAL N N 40 122.591 122.591 113.579 9.012 19547 177 1 1 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.479 -0.517 19547 178 1 1 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.957 1.968 19547 179 1 1 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.620 -3.776 19547 180 1 1 . 1 1 40 40 VAL H H 40 8.002 8.002 7.392 0.610 19547 181 1 1 . 1 1 41 41 ALA N N 41 133.626 133.626 125.771 7.855 19547 182 1 1 . 1 1 41 41 ALA HA H 41 4.438 4.438 5.006 -0.568 19547 183 1 1 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.731 0.460 19547 184 1 1 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.741 -0.691 19547 185 1 1 . 1 1 41 41 ALA H H 41 8.884 8.884 8.274 0.610 19547 186 1 1 . 1 1 42 42 VAL N N 42 124.906 124.906 118.597 6.309 19547 187 1 1 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.433 -0.031 19547 188 1 1 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.924 -1.363 19547 189 1 1 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.243 0.368 19547 190 1 1 . 1 1 42 42 VAL H H 42 7.812 7.812 7.751 0.061 19547 191 1 1 . 1 1 43 43 HIS N N 43 119.082 119.082 124.213 -5.131 19547 192 1 1 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.886 0.573 19547 193 1 1 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.121 -1.178 19547 194 1 1 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.719 4.661 19547 195 1 1 . 1 1 43 43 HIS H H 43 8.652 8.652 8.318 0.334 19547 196 1 1 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.496 -0.547 19547 197 1 1 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.922 2.452 19547 198 1 1 . 1 1 45 45 GLU N N 45 126.045 126.045 121.070 4.975 19547 199 1 1 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.956 0.388 19547 200 1 1 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.845 0.075 19547 201 1 1 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.357 0.723 19547 202 1 1 . 1 1 45 45 GLU H H 45 7.873 7.873 9.026 -1.153 19547 203 1 1 . 1 1 46 46 GLU N N 46 118.418 118.418 117.384 1.034 19547 204 1 1 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.147 0.101 19547 205 1 1 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.845 -0.078 19547 206 1 1 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.163 -1.938 19547 207 1 1 . 1 1 46 46 GLU H H 46 10.810 10.810 8.660 2.150 19547 208 1 1 . 1 1 47 47 ILE N N 47 122.170 122.170 118.432 3.738 19547 209 1 1 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.946 -0.130 19547 210 1 1 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.096 -0.818 19547 211 1 1 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.197 -2.714 19547 212 1 1 . 1 1 47 47 ILE H H 47 7.221 7.221 7.696 -0.475 19547 213 1 1 . 1 1 48 48 TYR N N 48 122.213 122.213 122.632 -0.419 19547 214 1 1 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.901 -0.248 19547 215 1 1 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.029 -0.009 19547 216 1 1 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.276 0.774 19547 217 1 1 . 1 1 48 48 TYR H H 48 8.115 8.115 8.471 -0.356 19547 218 1 1 . 1 1 49 49 GLN N N 49 115.426 115.426 116.529 -1.103 19547 219 1 1 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.916 -0.070 19547 220 1 1 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.150 0.295 19547 221 1 1 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.503 -0.311 19547 222 1 1 . 1 1 49 49 GLN H H 49 8.602 8.602 7.783 0.819 19547 223 1 1 . 1 1 50 50 ARG N N 50 120.058 120.058 116.552 3.506 19547 224 1 1 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.202 -0.212 19547 225 1 1 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.198 1.815 19547 226 1 1 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.202 0.091 19547 227 1 1 . 1 1 50 50 ARG H H 50 7.171 7.171 7.567 -0.396 19547 228 1 1 . 1 1 51 51 ILE N N 51 120.766 120.766 119.916 0.850 19547 229 1 1 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.762 -0.133 19547 230 1 1 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.763 0.542 19547 231 1 1 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.957 -0.014 19547 232 1 1 . 1 1 51 51 ILE H H 51 7.893 7.893 7.393 0.500 19547 233 1 1 . 1 1 52 52 GLN N N 52 119.013 119.013 117.744 1.269 19547 234 1 1 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.142 -0.320 19547 235 1 1 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.842 1.587 19547 236 1 1 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.671 0.609 19547 237 1 1 . 1 1 52 52 GLN H H 52 7.907 7.907 7.422 0.485 19547 238 1 1 . 1 1 53 53 ALA N N 53 120.605 120.605 121.129 -0.524 19547 239 1 1 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.210 -0.024 19547 240 1 1 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.755 0.402 19547 241 1 1 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.201 -0.557 19547 242 1 1 . 1 1 53 53 ALA H H 53 7.592 7.592 7.059 0.533 19547 243 1 1 . 1 1 54 54 GLY N N 54 105.866 105.866 105.021 0.845 19547 244 1 1 . 1 1 54 54 GLY CA C 54 45.622 45.622 45.070 0.552 19547 245 1 1 . 1 1 54 54 GLY H H 54 7.720 7.720 7.722 -0.002 19547 246 1 1 . 1 1 55 55 LEU N N 55 120.773 120.773 114.344 6.429 19547 247 1 1 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.855 -0.529 19547 248 1 1 . 1 1 55 55 LEU CA C 55 55.105 55.105 54.699 0.406 19547 249 1 1 . 1 1 55 55 LEU CB C 55 42.247 42.247 41.578 0.669 19547 250 1 1 . 1 1 55 55 LEU H H 55 7.697 7.697 7.296 0.401 19547 251 1 1 . 1 1 56 56 THR N N 56 113.079 113.079 115.880 -2.801 19547 252 1 1 . 1 1 56 56 THR HA H 56 4.253 4.253 4.139 0.114 19547 253 1 1 . 1 1 56 56 THR CA C 56 61.320 61.320 64.037 -2.717 19547 254 1 1 . 1 1 56 56 THR CB C 56 69.885 69.885 68.837 1.048 19547 255 1 1 . 1 1 56 56 THR H H 56 7.743 7.743 7.924 -0.181 19547 256 1 1 . 1 1 57 57 ALA N N 57 127.233 127.233 123.649 3.584 19547 257 1 1 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.759 -0.256 19547 258 1 1 . 1 1 57 57 ALA CA C 57 50.569 50.569 49.670 0.899 19547 259 1 1 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.372 -1.078 19547 260 1 1 . 1 1 57 57 ALA H H 57 8.072 8.072 7.666 0.406 19547 261 1 1 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.402 -0.088 19547 262 1 1 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.466 0.898 19547 263 1 1 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.395 -0.539 19547 264 1 2 . 1 1 2 2 LEU N N 2 125.858 125.858 126.549 -0.691 19547 265 1 2 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.818 -0.230 19547 266 1 2 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.102 -0.925 19547 267 1 2 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.812 -0.429 19547 268 1 2 . 1 1 2 2 LEU H H 2 8.415 8.415 8.492 -0.077 19547 269 1 2 . 1 1 3 3 ILE N N 3 130.863 130.863 124.349 6.514 19547 270 1 2 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.374 0.479 19547 271 1 2 . 1 1 3 3 ILE CA C 3 60.319 60.319 61.035 -0.716 19547 272 1 2 . 1 1 3 3 ILE CB C 3 38.051 38.051 38.984 -0.933 19547 273 1 2 . 1 1 3 3 ILE H H 3 10.198 10.198 8.307 1.891 19547 274 1 2 . 1 1 4 4 LEU N N 4 123.561 123.561 126.152 -2.591 19547 275 1 2 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.687 -0.144 19547 276 1 2 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.813 -1.407 19547 277 1 2 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.980 1.370 19547 278 1 2 . 1 1 4 4 LEU H H 4 8.846 8.846 8.266 0.580 19547 279 1 2 . 1 1 5 5 THR N N 5 123.256 123.256 116.829 6.427 19547 280 1 2 . 1 1 5 5 THR HA H 5 5.469 5.469 4.756 0.713 19547 281 1 2 . 1 1 5 5 THR CA C 5 60.415 60.415 61.509 -1.094 19547 282 1 2 . 1 1 5 5 THR CB C 5 69.449 69.449 69.625 -0.176 19547 283 1 2 . 1 1 5 5 THR H H 5 9.094 9.094 8.202 0.892 19547 284 1 2 . 1 1 6 6 ARG N N 6 123.316 123.316 123.566 -0.250 19547 285 1 2 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.593 0.316 19547 286 1 2 . 1 1 6 6 ARG CA C 6 55.056 55.056 55.169 -0.113 19547 287 1 2 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.319 5.401 19547 288 1 2 . 1 1 6 6 ARG H H 6 9.161 9.161 8.348 0.813 19547 289 1 2 . 1 1 7 7 LYS N N 7 122.466 122.466 120.905 1.561 19547 290 1 2 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.613 0.600 19547 291 1 2 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.220 -1.196 19547 292 1 2 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.852 -1.943 19547 293 1 2 . 1 1 7 7 LYS H H 7 9.295 9.295 8.628 0.667 19547 294 1 2 . 1 1 8 8 VAL N N 8 118.123 118.123 120.548 -2.425 19547 295 1 2 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.891 -0.613 19547 296 1 2 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.561 2.353 19547 297 1 2 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.985 0.604 19547 298 1 2 . 1 1 8 8 VAL H H 8 7.576 7.576 8.403 -0.827 19547 299 1 2 . 1 1 9 9 GLY N N 9 116.005 116.005 114.745 1.260 19547 300 1 2 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.758 -0.176 19547 301 1 2 . 1 1 9 9 GLY H H 9 9.255 9.255 9.291 -0.036 19547 302 1 2 . 1 1 10 10 GLU N N 10 119.485 119.485 119.580 -0.095 19547 303 1 2 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.767 0.115 19547 304 1 2 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.155 1.537 19547 305 1 2 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.968 -0.385 19547 306 1 2 . 1 1 10 10 GLU H H 10 8.364 8.364 7.912 0.452 19547 307 1 2 . 1 1 11 11 SER N N 11 112.365 112.365 113.748 -1.383 19547 308 1 2 . 1 1 11 11 SER HA H 11 5.866 5.866 5.482 0.384 19547 309 1 2 . 1 1 11 11 SER CA C 11 57.942 57.942 57.040 0.902 19547 310 1 2 . 1 1 11 11 SER CB C 11 67.035 67.035 65.926 1.109 19547 311 1 2 . 1 1 11 11 SER H H 11 8.620 8.620 8.384 0.236 19547 312 1 2 . 1 1 12 12 ILE N N 12 124.398 124.398 120.232 4.166 19547 313 1 2 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.443 -0.101 19547 314 1 2 . 1 1 12 12 ILE CA C 12 59.899 59.899 60.226 -0.327 19547 315 1 2 . 1 1 12 12 ILE CB C 12 42.791 42.791 43.086 -0.295 19547 316 1 2 . 1 1 12 12 ILE H H 12 9.260 9.260 8.898 0.362 19547 317 1 2 . 1 1 13 13 ASN N N 13 126.218 126.218 121.079 5.139 19547 318 1 2 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.050 -0.026 19547 319 1 2 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.544 0.775 19547 320 1 2 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.597 -0.135 19547 321 1 2 . 1 1 13 13 ASN H H 13 9.364 9.364 8.481 0.883 19547 322 1 2 . 1 1 14 14 ILE N N 14 123.971 123.971 121.247 2.724 19547 323 1 2 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.452 0.004 19547 324 1 2 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.753 -0.182 19547 325 1 2 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.398 -2.874 19547 326 1 2 . 1 1 14 14 ILE H H 14 8.451 8.451 8.453 -0.002 19547 327 1 2 . 1 1 15 15 GLY N N 15 115.306 115.306 114.027 1.279 19547 328 1 2 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.045 0.015 19547 329 1 2 . 1 1 15 15 GLY H H 15 9.075 9.075 8.579 0.496 19547 330 1 2 . 1 1 16 16 ASP N N 16 120.409 120.409 120.901 -0.492 19547 331 1 2 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.699 0.210 19547 332 1 2 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.074 1.283 19547 333 1 2 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.300 0.970 19547 334 1 2 . 1 1 16 16 ASP H H 16 8.713 8.713 8.348 0.365 19547 335 1 2 . 1 1 17 17 ASP N N 17 115.565 115.565 119.978 -4.413 19547 336 1 2 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.899 -0.170 19547 337 1 2 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.655 -0.532 19547 338 1 2 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.674 -1.156 19547 339 1 2 . 1 1 17 17 ASP H H 17 8.149 8.149 7.903 0.246 19547 340 1 2 . 1 1 18 18 ILE N N 18 118.660 118.660 119.556 -0.896 19547 341 1 2 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.103 0.075 19547 342 1 2 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.349 -0.195 19547 343 1 2 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.374 -2.762 19547 344 1 2 . 1 1 18 18 ILE H H 18 7.181 7.181 7.723 -0.542 19547 345 1 2 . 1 1 19 19 THR N N 19 122.893 122.893 120.481 2.412 19547 346 1 2 . 1 1 19 19 THR HA H 19 5.104 5.104 4.940 0.164 19547 347 1 2 . 1 1 19 19 THR CA C 19 60.949 60.949 61.450 -0.500 19547 348 1 2 . 1 1 19 19 THR CB C 19 71.669 71.669 72.146 -0.477 19547 349 1 2 . 1 1 19 19 THR H H 19 8.922 8.922 8.491 0.431 19547 350 1 2 . 1 1 20 20 ILE N N 20 123.852 123.852 121.257 2.595 19547 351 1 2 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.928 -0.087 19547 352 1 2 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.034 -0.104 19547 353 1 2 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.065 -1.765 19547 354 1 2 . 1 1 20 20 ILE H H 20 8.930 8.930 9.070 -0.140 19547 355 1 2 . 1 1 21 21 THR N N 21 123.855 123.855 120.202 3.653 19547 356 1 2 . 1 1 21 21 THR HA H 21 4.821 4.821 4.955 -0.134 19547 357 1 2 . 1 1 21 21 THR CA C 21 61.436 61.436 61.685 -0.249 19547 358 1 2 . 1 1 21 21 THR CB C 21 71.939 71.939 72.046 -0.107 19547 359 1 2 . 1 1 21 21 THR H H 21 9.372 9.372 8.748 0.624 19547 360 1 2 . 1 1 22 22 ILE N N 22 125.561 125.561 128.453 -2.892 19547 361 1 2 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.437 -0.345 19547 362 1 2 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.467 0.636 19547 363 1 2 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.633 -3.781 19547 364 1 2 . 1 1 22 22 ILE H H 22 8.107 8.107 8.384 -0.277 19547 365 1 2 . 1 1 23 23 LEU N N 23 129.208 129.208 128.282 0.926 19547 366 1 2 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.347 -0.080 19547 367 1 2 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.903 -0.413 19547 368 1 2 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.654 0.579 19547 369 1 2 . 1 1 23 23 LEU H H 23 8.910 8.910 8.258 0.652 19547 370 1 2 . 1 1 24 24 GLY N N 24 104.396 104.396 104.782 -0.386 19547 371 1 2 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.909 1.059 19547 372 1 2 . 1 1 24 24 GLY H H 24 7.493 7.493 7.596 -0.103 19547 373 1 2 . 1 1 25 25 VAL N N 25 120.463 120.463 115.959 4.504 19547 374 1 2 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.601 0.020 19547 375 1 2 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.598 1.925 19547 376 1 2 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.526 0.207 19547 377 1 2 . 1 1 25 25 VAL H H 25 8.406 8.406 8.073 0.333 19547 378 1 2 . 1 1 26 26 SER N N 26 121.835 121.835 118.161 3.674 19547 379 1 2 . 1 1 26 26 SER HA H 26 4.612 4.612 4.675 -0.063 19547 380 1 2 . 1 1 26 26 SER CA C 26 56.564 56.564 58.114 -1.550 19547 381 1 2 . 1 1 26 26 SER CB C 26 63.858 63.858 63.585 0.273 19547 382 1 2 . 1 1 26 26 SER H H 26 8.545 8.545 8.907 -0.362 19547 383 1 2 . 1 1 27 27 GLY N N 27 118.379 118.379 110.497 7.882 19547 384 1 2 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.808 2.619 19547 385 1 2 . 1 1 27 27 GLY H H 27 8.714 8.714 8.002 0.712 19547 386 1 2 . 1 1 28 28 GLN N N 28 124.776 124.776 121.240 3.536 19547 387 1 2 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.354 -0.065 19547 388 1 2 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.465 -1.466 19547 389 1 2 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.602 1.342 19547 390 1 2 . 1 1 28 28 GLN H H 28 9.208 9.208 8.410 0.798 19547 391 1 2 . 1 1 29 29 GLN N N 29 118.507 118.507 117.849 0.658 19547 392 1 2 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.550 0.022 19547 393 1 2 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.994 0.392 19547 394 1 2 . 1 1 29 29 GLN H H 29 8.423 8.423 7.812 0.611 19547 395 1 2 . 1 1 30 30 VAL N N 30 126.854 126.854 119.731 7.123 19547 396 1 2 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.350 0.206 19547 397 1 2 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.224 -0.613 19547 398 1 2 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.130 -0.837 19547 399 1 2 . 1 1 30 30 VAL H H 30 9.304 9.304 8.314 0.990 19547 400 1 2 . 1 1 31 31 ARG N N 31 127.878 127.878 125.513 2.365 19547 401 1 2 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.799 -0.190 19547 402 1 2 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.909 0.659 19547 403 1 2 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.026 -1.495 19547 404 1 2 . 1 1 31 31 ARG H H 31 8.683 8.683 9.120 -0.437 19547 405 1 2 . 1 1 32 32 ILE N N 32 127.071 127.071 123.798 3.273 19547 406 1 2 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.344 -1.689 19547 407 1 2 . 1 1 32 32 ILE H H 32 8.958 8.958 8.557 0.401 19547 408 1 2 . 1 1 33 33 GLY N N 33 112.801 112.801 113.028 -0.227 19547 409 1 2 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.619 0.956 19547 410 1 2 . 1 1 33 33 GLY H H 33 9.114 9.114 9.011 0.103 19547 411 1 2 . 1 1 34 34 ILE N N 34 125.117 125.117 118.970 6.147 19547 412 1 2 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.710 0.093 19547 413 1 2 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.334 0.459 19547 414 1 2 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.237 -1.138 19547 415 1 2 . 1 1 34 34 ILE H H 34 9.566 9.566 8.112 1.454 19547 416 1 2 . 1 1 35 35 ASN N N 35 129.274 129.274 123.856 5.418 19547 417 1 2 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.935 0.144 19547 418 1 2 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.642 -0.456 19547 419 1 2 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.928 0.389 19547 420 1 2 . 1 1 35 35 ASN H H 35 8.908 8.908 8.626 0.282 19547 421 1 2 . 1 1 36 36 ALA N N 36 125.590 125.590 126.992 -1.402 19547 422 1 2 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.306 -0.244 19547 423 1 2 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.273 0.076 19547 424 1 2 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.995 -1.094 19547 425 1 2 . 1 1 36 36 ALA H H 36 8.241 8.241 8.040 0.201 19547 426 1 2 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.557 -0.152 19547 427 1 2 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.171 0.725 19547 428 1 2 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.472 -0.070 19547 429 1 2 . 1 1 38 38 LYS N N 38 120.951 120.951 120.824 0.127 19547 430 1 2 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.167 -0.404 19547 431 1 2 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.683 1.149 19547 432 1 2 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.745 0.182 19547 433 1 2 . 1 1 38 38 LYS H H 38 8.549 8.549 8.566 -0.017 19547 434 1 2 . 1 1 39 39 ASP N N 39 113.835 113.835 118.544 -4.709 19547 435 1 2 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.489 -0.143 19547 436 1 2 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.422 -1.353 19547 437 1 2 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.887 -1.013 19547 438 1 2 . 1 1 39 39 ASP H H 39 8.126 8.126 8.435 -0.309 19547 439 1 2 . 1 1 40 40 VAL N N 40 122.591 122.591 113.738 8.853 19547 440 1 2 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.468 -0.506 19547 441 1 2 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.507 2.418 19547 442 1 2 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.401 -3.556 19547 443 1 2 . 1 1 40 40 VAL H H 40 8.002 8.002 7.396 0.606 19547 444 1 2 . 1 1 41 41 ALA N N 41 133.626 133.626 125.473 8.153 19547 445 1 2 . 1 1 41 41 ALA HA H 41 4.438 4.438 5.009 -0.571 19547 446 1 2 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.120 1.071 19547 447 1 2 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.067 -1.017 19547 448 1 2 . 1 1 41 41 ALA H H 41 8.884 8.884 8.340 0.544 19547 449 1 2 . 1 1 42 42 VAL N N 42 124.906 124.906 118.531 6.375 19547 450 1 2 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.505 -0.103 19547 451 1 2 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.263 -0.702 19547 452 1 2 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.531 0.080 19547 453 1 2 . 1 1 42 42 VAL H H 42 7.812 7.812 7.974 -0.162 19547 454 1 2 . 1 1 43 43 HIS N N 43 119.082 119.082 122.788 -3.706 19547 455 1 2 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.830 0.629 19547 456 1 2 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.408 -1.465 19547 457 1 2 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.557 4.823 19547 458 1 2 . 1 1 43 43 HIS H H 43 8.652 8.652 8.433 0.219 19547 459 1 2 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.361 -0.412 19547 460 1 2 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.291 2.083 19547 461 1 2 . 1 1 45 45 GLU N N 45 126.045 126.045 123.406 2.639 19547 462 1 2 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.994 0.350 19547 463 1 2 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.971 -0.051 19547 464 1 2 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.550 0.530 19547 465 1 2 . 1 1 45 45 GLU H H 45 7.873 7.873 8.974 -1.101 19547 466 1 2 . 1 1 46 46 GLU N N 46 118.418 118.418 117.534 0.884 19547 467 1 2 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.118 0.130 19547 468 1 2 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.851 -0.084 19547 469 1 2 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.275 -2.050 19547 470 1 2 . 1 1 46 46 GLU H H 46 10.810 10.810 8.579 2.231 19547 471 1 2 . 1 1 47 47 ILE N N 47 122.170 122.170 117.616 4.554 19547 472 1 2 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.922 -0.106 19547 473 1 2 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.598 -1.320 19547 474 1 2 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.385 -2.901 19547 475 1 2 . 1 1 47 47 ILE H H 47 7.221 7.221 7.612 -0.391 19547 476 1 2 . 1 1 48 48 TYR N N 48 122.213 122.213 122.509 -0.296 19547 477 1 2 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.914 -0.261 19547 478 1 2 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.021 -0.001 19547 479 1 2 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.394 0.656 19547 480 1 2 . 1 1 48 48 TYR H H 48 8.115 8.115 8.707 -0.592 19547 481 1 2 . 1 1 49 49 GLN N N 49 115.426 115.426 116.695 -1.269 19547 482 1 2 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.938 -0.092 19547 483 1 2 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.286 0.159 19547 484 1 2 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.516 -0.324 19547 485 1 2 . 1 1 49 49 GLN H H 49 8.602 8.602 8.024 0.578 19547 486 1 2 . 1 1 50 50 ARG N N 50 120.058 120.058 116.453 3.605 19547 487 1 2 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.175 -0.185 19547 488 1 2 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.332 1.681 19547 489 1 2 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.244 0.049 19547 490 1 2 . 1 1 50 50 ARG H H 50 7.171 7.171 7.563 -0.392 19547 491 1 2 . 1 1 51 51 ILE N N 51 120.766 120.766 119.085 1.681 19547 492 1 2 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.778 -0.149 19547 493 1 2 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.580 0.725 19547 494 1 2 . 1 1 51 51 ILE CB C 51 37.943 37.943 38.130 -0.187 19547 495 1 2 . 1 1 51 51 ILE H H 51 7.893 7.893 7.240 0.653 19547 496 1 2 . 1 1 52 52 GLN N N 52 119.013 119.013 117.764 1.249 19547 497 1 2 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.079 -0.257 19547 498 1 2 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.799 1.629 19547 499 1 2 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.393 0.887 19547 500 1 2 . 1 1 52 52 GLN H H 52 7.907 7.907 7.516 0.391 19547 501 1 2 . 1 1 53 53 ALA N N 53 120.605 120.605 120.976 -0.371 19547 502 1 2 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.120 0.066 19547 503 1 2 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.153 0.004 19547 504 1 2 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.859 -0.215 19547 505 1 2 . 1 1 53 53 ALA H H 53 7.592 7.592 7.849 -0.257 19547 506 1 2 . 1 1 54 54 GLY N N 54 105.866 105.866 104.053 1.813 19547 507 1 2 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.978 0.644 19547 508 1 2 . 1 1 54 54 GLY H H 54 7.720 7.720 7.836 -0.116 19547 509 1 2 . 1 1 55 55 LEU N N 55 120.773 120.773 115.511 5.262 19547 510 1 2 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.858 -0.532 19547 511 1 2 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.413 -0.308 19547 512 1 2 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.937 -0.690 19547 513 1 2 . 1 1 55 55 LEU H H 55 7.697 7.697 7.536 0.161 19547 514 1 2 . 1 1 56 56 THR N N 56 113.079 113.079 114.638 -1.559 19547 515 1 2 . 1 1 56 56 THR HA H 56 4.253 4.253 3.828 0.425 19547 516 1 2 . 1 1 56 56 THR CA C 56 61.320 61.320 63.843 -2.523 19547 517 1 2 . 1 1 56 56 THR CB C 56 69.885 69.885 67.428 2.457 19547 518 1 2 . 1 1 56 56 THR H H 56 7.743 7.743 8.283 -0.540 19547 519 1 2 . 1 1 57 57 ALA N N 57 127.233 127.233 121.133 6.100 19547 520 1 2 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.549 -0.046 19547 521 1 2 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.320 0.249 19547 522 1 2 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.529 -1.235 19547 523 1 2 . 1 1 57 57 ALA H H 57 8.072 8.072 7.576 0.496 19547 524 1 2 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.196 0.118 19547 525 1 2 . 1 1 58 58 PRO CA C 58 63.364 63.364 64.179 -0.815 19547 526 1 2 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.081 -0.225 19547 527 1 3 . 1 1 2 2 LEU N N 2 125.858 125.858 126.120 -0.262 19547 528 1 3 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.823 -0.235 19547 529 1 3 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.125 -0.948 19547 530 1 3 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.005 -0.622 19547 531 1 3 . 1 1 2 2 LEU H H 2 8.415 8.415 8.471 -0.056 19547 532 1 3 . 1 1 3 3 ILE N N 3 130.863 130.863 123.889 6.974 19547 533 1 3 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.439 0.414 19547 534 1 3 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.970 -0.651 19547 535 1 3 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.224 -1.173 19547 536 1 3 . 1 1 3 3 ILE H H 3 10.198 10.198 8.303 1.895 19547 537 1 3 . 1 1 4 4 LEU N N 4 123.561 123.561 126.375 -2.814 19547 538 1 3 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.667 -0.124 19547 539 1 3 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.819 -1.413 19547 540 1 3 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.928 1.422 19547 541 1 3 . 1 1 4 4 LEU H H 4 8.846 8.846 8.186 0.660 19547 542 1 3 . 1 1 5 5 THR N N 5 123.256 123.256 117.023 6.233 19547 543 1 3 . 1 1 5 5 THR HA H 5 5.469 5.469 4.709 0.760 19547 544 1 3 . 1 1 5 5 THR CA C 5 60.415 60.415 61.514 -1.099 19547 545 1 3 . 1 1 5 5 THR CB C 5 69.449 69.449 69.755 -0.306 19547 546 1 3 . 1 1 5 5 THR H H 5 9.094 9.094 8.289 0.805 19547 547 1 3 . 1 1 6 6 ARG N N 6 123.316 123.316 122.185 1.131 19547 548 1 3 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.159 -0.250 19547 549 1 3 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.511 0.545 19547 550 1 3 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.374 5.346 19547 551 1 3 . 1 1 6 6 ARG H H 6 9.161 9.161 8.429 0.732 19547 552 1 3 . 1 1 7 7 LYS N N 7 122.466 122.466 120.419 2.047 19547 553 1 3 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.600 0.613 19547 554 1 3 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.120 -1.096 19547 555 1 3 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.776 -1.867 19547 556 1 3 . 1 1 7 7 LYS H H 7 9.295 9.295 8.516 0.779 19547 557 1 3 . 1 1 8 8 VAL N N 8 118.123 118.123 119.731 -1.608 19547 558 1 3 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.980 -0.702 19547 559 1 3 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.585 2.329 19547 560 1 3 . 1 1 8 8 VAL CB C 8 31.589 31.589 29.937 1.652 19547 561 1 3 . 1 1 8 8 VAL H H 8 7.576 7.576 8.496 -0.920 19547 562 1 3 . 1 1 9 9 GLY N N 9 116.005 116.005 116.911 -0.906 19547 563 1 3 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.781 -0.199 19547 564 1 3 . 1 1 9 9 GLY H H 9 9.255 9.255 9.159 0.096 19547 565 1 3 . 1 1 10 10 GLU N N 10 119.485 119.485 121.066 -1.581 19547 566 1 3 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.656 0.226 19547 567 1 3 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.545 0.147 19547 568 1 3 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.270 1.313 19547 569 1 3 . 1 1 10 10 GLU H H 10 8.364 8.364 8.449 -0.085 19547 570 1 3 . 1 1 11 11 SER N N 11 112.365 112.365 112.875 -0.510 19547 571 1 3 . 1 1 11 11 SER HA H 11 5.866 5.866 5.332 0.534 19547 572 1 3 . 1 1 11 11 SER CA C 11 57.942 57.942 57.291 0.651 19547 573 1 3 . 1 1 11 11 SER CB C 11 67.035 67.035 66.400 0.635 19547 574 1 3 . 1 1 11 11 SER H H 11 8.620 8.620 8.328 0.292 19547 575 1 3 . 1 1 12 12 ILE N N 12 124.398 124.398 120.890 3.508 19547 576 1 3 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.540 -0.198 19547 577 1 3 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.335 0.564 19547 578 1 3 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.355 0.436 19547 579 1 3 . 1 1 12 12 ILE H H 12 9.260 9.260 8.992 0.268 19547 580 1 3 . 1 1 13 13 ASN N N 13 126.218 126.218 121.040 5.178 19547 581 1 3 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.117 -0.093 19547 582 1 3 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.447 0.872 19547 583 1 3 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.700 -0.238 19547 584 1 3 . 1 1 13 13 ASN H H 13 9.364 9.364 8.513 0.851 19547 585 1 3 . 1 1 14 14 ILE N N 14 123.971 123.971 121.521 2.450 19547 586 1 3 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.444 0.012 19547 587 1 3 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.746 -0.175 19547 588 1 3 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.232 -2.708 19547 589 1 3 . 1 1 14 14 ILE H H 14 8.451 8.451 8.554 -0.103 19547 590 1 3 . 1 1 15 15 GLY N N 15 115.306 115.306 114.178 1.128 19547 591 1 3 . 1 1 15 15 GLY CA C 15 46.060 46.060 45.938 0.123 19547 592 1 3 . 1 1 15 15 GLY H H 15 9.075 9.075 8.619 0.456 19547 593 1 3 . 1 1 16 16 ASP N N 16 120.409 120.409 122.692 -2.283 19547 594 1 3 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.750 0.159 19547 595 1 3 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.268 1.089 19547 596 1 3 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.305 0.965 19547 597 1 3 . 1 1 16 16 ASP H H 16 8.713 8.713 8.374 0.339 19547 598 1 3 . 1 1 17 17 ASP N N 17 115.565 115.565 119.957 -4.392 19547 599 1 3 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.908 -0.179 19547 600 1 3 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.586 -0.463 19547 601 1 3 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.735 -1.217 19547 602 1 3 . 1 1 17 17 ASP H H 17 8.149 8.149 7.860 0.289 19547 603 1 3 . 1 1 18 18 ILE N N 18 118.660 118.660 119.562 -0.902 19547 604 1 3 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.078 0.100 19547 605 1 3 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.425 -0.271 19547 606 1 3 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.375 -2.763 19547 607 1 3 . 1 1 18 18 ILE H H 18 7.181 7.181 7.696 -0.515 19547 608 1 3 . 1 1 19 19 THR N N 19 122.893 122.893 120.972 1.921 19547 609 1 3 . 1 1 19 19 THR HA H 19 5.104 5.104 5.016 0.088 19547 610 1 3 . 1 1 19 19 THR CA C 19 60.949 60.949 61.707 -0.758 19547 611 1 3 . 1 1 19 19 THR CB C 19 71.669 71.669 72.376 -0.707 19547 612 1 3 . 1 1 19 19 THR H H 19 8.922 8.922 8.434 0.488 19547 613 1 3 . 1 1 20 20 ILE N N 20 123.852 123.852 122.060 1.792 19547 614 1 3 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.974 -0.133 19547 615 1 3 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.156 -0.226 19547 616 1 3 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.859 -1.559 19547 617 1 3 . 1 1 20 20 ILE H H 20 8.930 8.930 9.137 -0.207 19547 618 1 3 . 1 1 21 21 THR N N 21 123.855 123.855 120.546 3.309 19547 619 1 3 . 1 1 21 21 THR HA H 21 4.821 4.821 4.902 -0.081 19547 620 1 3 . 1 1 21 21 THR CA C 21 61.436 61.436 62.080 -0.644 19547 621 1 3 . 1 1 21 21 THR CB C 21 71.939 71.939 71.850 0.089 19547 622 1 3 . 1 1 21 21 THR H H 21 9.372 9.372 8.733 0.639 19547 623 1 3 . 1 1 22 22 ILE N N 22 125.561 125.561 128.315 -2.754 19547 624 1 3 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.333 -0.241 19547 625 1 3 . 1 1 22 22 ILE CA C 22 59.103 59.103 59.074 0.029 19547 626 1 3 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.836 -3.984 19547 627 1 3 . 1 1 22 22 ILE H H 22 8.107 8.107 8.298 -0.191 19547 628 1 3 . 1 1 23 23 LEU N N 23 129.208 129.208 129.852 -0.644 19547 629 1 3 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.219 0.048 19547 630 1 3 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.674 -0.184 19547 631 1 3 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.860 0.373 19547 632 1 3 . 1 1 23 23 LEU H H 23 8.910 8.910 8.210 0.700 19547 633 1 3 . 1 1 24 24 GLY N N 24 104.396 104.396 104.786 -0.390 19547 634 1 3 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.739 1.229 19547 635 1 3 . 1 1 24 24 GLY H H 24 7.493 7.493 7.584 -0.091 19547 636 1 3 . 1 1 25 25 VAL N N 25 120.463 120.463 115.671 4.792 19547 637 1 3 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.679 -0.058 19547 638 1 3 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.724 2.799 19547 639 1 3 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.167 0.566 19547 640 1 3 . 1 1 25 25 VAL H H 25 8.406 8.406 8.201 0.205 19547 641 1 3 . 1 1 26 26 SER N N 26 121.835 121.835 116.477 5.358 19547 642 1 3 . 1 1 26 26 SER HA H 26 4.612 4.612 4.709 -0.097 19547 643 1 3 . 1 1 26 26 SER CA C 26 56.564 56.564 57.855 -1.291 19547 644 1 3 . 1 1 26 26 SER CB C 26 63.858 63.858 63.529 0.329 19547 645 1 3 . 1 1 26 26 SER H H 26 8.545 8.545 8.975 -0.430 19547 646 1 3 . 1 1 27 27 GLY N N 27 118.379 118.379 109.939 8.440 19547 647 1 3 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.911 2.516 19547 648 1 3 . 1 1 27 27 GLY H H 27 8.714 8.714 8.284 0.430 19547 649 1 3 . 1 1 28 28 GLN N N 28 124.776 124.776 122.152 2.624 19547 650 1 3 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.342 -0.053 19547 651 1 3 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.489 -1.490 19547 652 1 3 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.670 1.274 19547 653 1 3 . 1 1 28 28 GLN H H 28 9.208 9.208 8.530 0.678 19547 654 1 3 . 1 1 29 29 GLN N N 29 118.507 118.507 117.728 0.779 19547 655 1 3 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.574 -0.002 19547 656 1 3 . 1 1 29 29 GLN CB C 29 31.386 31.386 31.014 0.372 19547 657 1 3 . 1 1 29 29 GLN H H 29 8.423 8.423 7.690 0.733 19547 658 1 3 . 1 1 30 30 VAL N N 30 126.854 126.854 120.260 6.594 19547 659 1 3 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.341 0.215 19547 660 1 3 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.373 -0.762 19547 661 1 3 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.407 -1.114 19547 662 1 3 . 1 1 30 30 VAL H H 30 9.304 9.304 8.385 0.919 19547 663 1 3 . 1 1 31 31 ARG N N 31 127.878 127.878 125.634 2.244 19547 664 1 3 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.837 -0.228 19547 665 1 3 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.892 0.676 19547 666 1 3 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.348 -1.817 19547 667 1 3 . 1 1 31 31 ARG H H 31 8.683 8.683 8.980 -0.297 19547 668 1 3 . 1 1 32 32 ILE N N 32 127.071 127.071 123.047 4.024 19547 669 1 3 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.316 -1.661 19547 670 1 3 . 1 1 32 32 ILE H H 32 8.958 8.958 8.534 0.424 19547 671 1 3 . 1 1 33 33 GLY N N 33 112.801 112.801 112.300 0.501 19547 672 1 3 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.607 0.968 19547 673 1 3 . 1 1 33 33 GLY H H 33 9.114 9.114 9.024 0.090 19547 674 1 3 . 1 1 34 34 ILE N N 34 125.117 125.117 119.148 5.969 19547 675 1 3 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.747 0.056 19547 676 1 3 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.257 0.536 19547 677 1 3 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.346 -1.247 19547 678 1 3 . 1 1 34 34 ILE H H 34 9.566 9.566 8.120 1.446 19547 679 1 3 . 1 1 35 35 ASN N N 35 129.274 129.274 123.823 5.451 19547 680 1 3 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.940 0.139 19547 681 1 3 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.540 -0.354 19547 682 1 3 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.822 0.495 19547 683 1 3 . 1 1 35 35 ASN H H 35 8.908 8.908 8.666 0.242 19547 684 1 3 . 1 1 36 36 ALA N N 36 125.590 125.590 127.029 -1.439 19547 685 1 3 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.290 -0.228 19547 686 1 3 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.321 0.028 19547 687 1 3 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.984 -1.083 19547 688 1 3 . 1 1 36 36 ALA H H 36 8.241 8.241 8.025 0.216 19547 689 1 3 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.559 -0.154 19547 690 1 3 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.166 0.730 19547 691 1 3 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.477 -0.075 19547 692 1 3 . 1 1 38 38 LYS N N 38 120.951 120.951 119.534 1.417 19547 693 1 3 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.121 -0.358 19547 694 1 3 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.483 1.349 19547 695 1 3 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.786 0.142 19547 696 1 3 . 1 1 38 38 LYS H H 38 8.549 8.549 8.659 -0.110 19547 697 1 3 . 1 1 39 39 ASP N N 39 113.835 113.835 118.001 -4.166 19547 698 1 3 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.559 -0.213 19547 699 1 3 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.573 -1.504 19547 700 1 3 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.048 -1.174 19547 701 1 3 . 1 1 39 39 ASP H H 39 8.126 8.126 8.130 -0.004 19547 702 1 3 . 1 1 40 40 VAL N N 40 122.591 122.591 114.615 7.976 19547 703 1 3 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.439 -0.477 19547 704 1 3 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.685 2.240 19547 705 1 3 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.205 -3.360 19547 706 1 3 . 1 1 40 40 VAL H H 40 8.002 8.002 7.499 0.503 19547 707 1 3 . 1 1 41 41 ALA N N 41 133.626 133.626 124.606 9.020 19547 708 1 3 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.976 -0.538 19547 709 1 3 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.351 0.840 19547 710 1 3 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.015 -0.966 19547 711 1 3 . 1 1 41 41 ALA H H 41 8.884 8.884 8.252 0.632 19547 712 1 3 . 1 1 42 42 VAL N N 42 124.906 124.906 117.761 7.145 19547 713 1 3 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.449 -0.047 19547 714 1 3 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.545 -0.984 19547 715 1 3 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.084 0.527 19547 716 1 3 . 1 1 42 42 VAL H H 42 7.812 7.812 7.739 0.073 19547 717 1 3 . 1 1 43 43 HIS N N 43 119.082 119.082 123.825 -4.743 19547 718 1 3 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.807 0.652 19547 719 1 3 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.177 -1.234 19547 720 1 3 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.486 4.894 19547 721 1 3 . 1 1 43 43 HIS H H 43 8.652 8.652 8.402 0.250 19547 722 1 3 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.495 -0.546 19547 723 1 3 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.940 2.434 19547 724 1 3 . 1 1 45 45 GLU N N 45 126.045 126.045 121.741 4.304 19547 725 1 3 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.942 0.402 19547 726 1 3 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.969 -0.049 19547 727 1 3 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.379 0.701 19547 728 1 3 . 1 1 45 45 GLU H H 45 7.873 7.873 9.051 -1.178 19547 729 1 3 . 1 1 46 46 GLU N N 46 118.418 118.418 117.860 0.558 19547 730 1 3 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.083 0.165 19547 731 1 3 . 1 1 46 46 GLU CA C 46 58.767 58.767 59.133 -0.366 19547 732 1 3 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.019 -1.794 19547 733 1 3 . 1 1 46 46 GLU H H 46 10.810 10.810 8.652 2.158 19547 734 1 3 . 1 1 47 47 ILE N N 47 122.170 122.170 117.444 4.726 19547 735 1 3 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.927 -0.111 19547 736 1 3 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.393 -1.115 19547 737 1 3 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.243 -2.760 19547 738 1 3 . 1 1 47 47 ILE H H 47 7.221 7.221 7.564 -0.343 19547 739 1 3 . 1 1 48 48 TYR N N 48 122.213 122.213 122.510 -0.297 19547 740 1 3 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.944 -0.291 19547 741 1 3 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.780 0.240 19547 742 1 3 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.228 0.822 19547 743 1 3 . 1 1 48 48 TYR H H 48 8.115 8.115 8.621 -0.506 19547 744 1 3 . 1 1 49 49 GLN N N 49 115.426 115.426 116.548 -1.122 19547 745 1 3 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.946 -0.100 19547 746 1 3 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.054 0.391 19547 747 1 3 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.551 -0.359 19547 748 1 3 . 1 1 49 49 GLN H H 49 8.602 8.602 7.803 0.799 19547 749 1 3 . 1 1 50 50 ARG N N 50 120.058 120.058 117.003 3.055 19547 750 1 3 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.143 -0.153 19547 751 1 3 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.578 1.435 19547 752 1 3 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.030 0.263 19547 753 1 3 . 1 1 50 50 ARG H H 50 7.171 7.171 7.614 -0.443 19547 754 1 3 . 1 1 51 51 ILE N N 51 120.766 120.766 120.413 0.353 19547 755 1 3 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.766 -0.137 19547 756 1 3 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.183 1.122 19547 757 1 3 . 1 1 51 51 ILE CB C 51 37.943 37.943 36.981 0.962 19547 758 1 3 . 1 1 51 51 ILE H H 51 7.893 7.893 6.960 0.933 19547 759 1 3 . 1 1 52 52 GLN N N 52 119.013 119.013 117.766 1.247 19547 760 1 3 . 1 1 52 52 GLN HA H 52 3.822 3.822 3.965 -0.143 19547 761 1 3 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.614 0.814 19547 762 1 3 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.117 1.163 19547 763 1 3 . 1 1 52 52 GLN H H 52 7.907 7.907 7.327 0.580 19547 764 1 3 . 1 1 53 53 ALA N N 53 120.605 120.605 120.596 0.009 19547 765 1 3 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.148 0.038 19547 766 1 3 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.091 0.066 19547 767 1 3 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.889 -0.245 19547 768 1 3 . 1 1 53 53 ALA H H 53 7.592 7.592 7.821 -0.229 19547 769 1 3 . 1 1 54 54 GLY N N 54 105.866 105.866 104.228 1.638 19547 770 1 3 . 1 1 54 54 GLY CA C 54 45.622 45.622 45.044 0.578 19547 771 1 3 . 1 1 54 54 GLY H H 54 7.720 7.720 7.779 -0.059 19547 772 1 3 . 1 1 55 55 LEU N N 55 120.773 120.773 115.813 4.960 19547 773 1 3 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.983 -0.657 19547 774 1 3 . 1 1 55 55 LEU CA C 55 55.105 55.105 53.842 1.263 19547 775 1 3 . 1 1 55 55 LEU CB C 55 42.247 42.247 43.080 -0.833 19547 776 1 3 . 1 1 55 55 LEU H H 55 7.697 7.697 7.822 -0.125 19547 777 1 3 . 1 1 56 56 THR N N 56 113.079 113.079 112.325 0.754 19547 778 1 3 . 1 1 56 56 THR HA H 56 4.253 4.253 4.428 -0.175 19547 779 1 3 . 1 1 56 56 THR CA C 56 61.320 61.320 62.764 -1.444 19547 780 1 3 . 1 1 56 56 THR CB C 56 69.885 69.885 70.078 -0.193 19547 781 1 3 . 1 1 56 56 THR H H 56 7.743 7.743 8.333 -0.590 19547 782 1 3 . 1 1 57 57 ALA N N 57 127.233 127.233 124.753 2.480 19547 783 1 3 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.795 -0.292 19547 784 1 3 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.716 -0.147 19547 785 1 3 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.071 -0.777 19547 786 1 3 . 1 1 57 57 ALA H H 57 8.072 8.072 7.978 0.094 19547 787 1 3 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.401 -0.087 19547 788 1 3 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.621 0.743 19547 789 1 3 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.243 -0.387 19547 790 1 4 . 1 1 2 2 LEU N N 2 125.858 125.858 127.243 -1.385 19547 791 1 4 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.941 -0.353 19547 792 1 4 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.503 -0.326 19547 793 1 4 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.538 -1.155 19547 794 1 4 . 1 1 2 2 LEU H H 2 8.415 8.415 8.579 -0.164 19547 795 1 4 . 1 1 3 3 ILE N N 3 130.863 130.863 125.083 5.780 19547 796 1 4 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.532 0.321 19547 797 1 4 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.758 -0.439 19547 798 1 4 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.738 -1.687 19547 799 1 4 . 1 1 3 3 ILE H H 3 10.198 10.198 8.301 1.897 19547 800 1 4 . 1 1 4 4 LEU N N 4 123.561 123.561 125.459 -1.898 19547 801 1 4 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.704 -0.161 19547 802 1 4 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.979 -1.572 19547 803 1 4 . 1 1 4 4 LEU CB C 4 46.350 46.350 45.187 1.163 19547 804 1 4 . 1 1 4 4 LEU H H 4 8.846 8.846 8.263 0.583 19547 805 1 4 . 1 1 5 5 THR N N 5 123.256 123.256 114.765 8.491 19547 806 1 4 . 1 1 5 5 THR HA H 5 5.469 5.469 4.556 0.913 19547 807 1 4 . 1 1 5 5 THR CA C 5 60.415 60.415 61.414 -0.999 19547 808 1 4 . 1 1 5 5 THR CB C 5 69.449 69.449 69.573 -0.124 19547 809 1 4 . 1 1 5 5 THR H H 5 9.094 9.094 8.241 0.853 19547 810 1 4 . 1 1 6 6 ARG N N 6 123.316 123.316 122.145 1.171 19547 811 1 4 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.785 0.124 19547 812 1 4 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.673 0.383 19547 813 1 4 . 1 1 6 6 ARG CB C 6 38.720 38.720 32.980 5.739 19547 814 1 4 . 1 1 6 6 ARG H H 6 9.161 9.161 8.455 0.706 19547 815 1 4 . 1 1 7 7 LYS N N 7 122.466 122.466 122.730 -0.264 19547 816 1 4 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.440 0.773 19547 817 1 4 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.296 -1.272 19547 818 1 4 . 1 1 7 7 LYS CB C 7 33.909 33.909 33.596 0.313 19547 819 1 4 . 1 1 7 7 LYS H H 7 9.295 9.295 9.301 -0.006 19547 820 1 4 . 1 1 8 8 VAL N N 8 118.123 118.123 118.703 -0.580 19547 821 1 4 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.871 -0.593 19547 822 1 4 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.580 2.334 19547 823 1 4 . 1 1 8 8 VAL CB C 8 31.589 31.589 29.906 1.683 19547 824 1 4 . 1 1 8 8 VAL H H 8 7.576 7.576 8.274 -0.698 19547 825 1 4 . 1 1 9 9 GLY N N 9 116.005 116.005 116.782 -0.777 19547 826 1 4 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.798 -0.216 19547 827 1 4 . 1 1 9 9 GLY H H 9 9.255 9.255 9.030 0.225 19547 828 1 4 . 1 1 10 10 GLU N N 10 119.485 119.485 121.158 -1.673 19547 829 1 4 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.629 0.253 19547 830 1 4 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.718 -0.026 19547 831 1 4 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.487 1.096 19547 832 1 4 . 1 1 10 10 GLU H H 10 8.364 8.364 8.429 -0.065 19547 833 1 4 . 1 1 11 11 SER N N 11 112.365 112.365 112.722 -0.357 19547 834 1 4 . 1 1 11 11 SER HA H 11 5.866 5.866 5.348 0.518 19547 835 1 4 . 1 1 11 11 SER CA C 11 57.942 57.942 57.172 0.770 19547 836 1 4 . 1 1 11 11 SER CB C 11 67.035 67.035 66.177 0.858 19547 837 1 4 . 1 1 11 11 SER H H 11 8.620 8.620 8.317 0.303 19547 838 1 4 . 1 1 12 12 ILE N N 12 124.398 124.398 120.451 3.947 19547 839 1 4 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.509 -0.167 19547 840 1 4 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.244 0.655 19547 841 1 4 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.310 0.480 19547 842 1 4 . 1 1 12 12 ILE H H 12 9.260 9.260 8.926 0.334 19547 843 1 4 . 1 1 13 13 ASN N N 13 126.218 126.218 120.976 5.242 19547 844 1 4 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.259 -0.235 19547 845 1 4 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.436 0.883 19547 846 1 4 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.717 -0.255 19547 847 1 4 . 1 1 13 13 ASN H H 13 9.364 9.364 8.511 0.853 19547 848 1 4 . 1 1 14 14 ILE N N 14 123.971 123.971 121.791 2.180 19547 849 1 4 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.447 0.009 19547 850 1 4 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.700 -0.129 19547 851 1 4 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.229 -2.705 19547 852 1 4 . 1 1 14 14 ILE H H 14 8.451 8.451 8.563 -0.112 19547 853 1 4 . 1 1 15 15 GLY N N 15 115.306 115.306 114.118 1.188 19547 854 1 4 . 1 1 15 15 GLY CA C 15 46.060 46.060 45.969 0.091 19547 855 1 4 . 1 1 15 15 GLY H H 15 9.075 9.075 8.620 0.455 19547 856 1 4 . 1 1 16 16 ASP N N 16 120.409 120.409 122.747 -2.338 19547 857 1 4 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.754 0.155 19547 858 1 4 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.274 1.083 19547 859 1 4 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.291 0.979 19547 860 1 4 . 1 1 16 16 ASP H H 16 8.713 8.713 8.369 0.344 19547 861 1 4 . 1 1 17 17 ASP N N 17 115.565 115.565 119.907 -4.342 19547 862 1 4 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.905 -0.176 19547 863 1 4 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.580 -0.457 19547 864 1 4 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.741 -1.223 19547 865 1 4 . 1 1 17 17 ASP H H 17 8.149 8.149 7.833 0.316 19547 866 1 4 . 1 1 18 18 ILE N N 18 118.660 118.660 119.737 -1.077 19547 867 1 4 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.119 0.059 19547 868 1 4 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.365 -0.212 19547 869 1 4 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.377 -2.765 19547 870 1 4 . 1 1 18 18 ILE H H 18 7.181 7.181 7.753 -0.572 19547 871 1 4 . 1 1 19 19 THR N N 19 122.893 122.893 120.868 2.025 19547 872 1 4 . 1 1 19 19 THR HA H 19 5.104 5.104 5.075 0.029 19547 873 1 4 . 1 1 19 19 THR CA C 19 60.949 60.949 61.371 -0.422 19547 874 1 4 . 1 1 19 19 THR CB C 19 71.669 71.669 72.142 -0.473 19547 875 1 4 . 1 1 19 19 THR H H 19 8.922 8.922 8.460 0.462 19547 876 1 4 . 1 1 20 20 ILE N N 20 123.852 123.852 121.696 2.156 19547 877 1 4 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.981 -0.140 19547 878 1 4 . 1 1 20 20 ILE CA C 20 58.930 58.930 58.935 -0.005 19547 879 1 4 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.848 -1.548 19547 880 1 4 . 1 1 20 20 ILE H H 20 8.930 8.930 9.016 -0.086 19547 881 1 4 . 1 1 21 21 THR N N 21 123.855 123.855 120.019 3.836 19547 882 1 4 . 1 1 21 21 THR HA H 21 4.821 4.821 4.958 -0.137 19547 883 1 4 . 1 1 21 21 THR CA C 21 61.436 61.436 61.752 -0.316 19547 884 1 4 . 1 1 21 21 THR CB C 21 71.939 71.939 72.125 -0.186 19547 885 1 4 . 1 1 21 21 THR H H 21 9.372 9.372 8.841 0.531 19547 886 1 4 . 1 1 22 22 ILE N N 22 125.561 125.561 128.197 -2.636 19547 887 1 4 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.423 -0.331 19547 888 1 4 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.679 0.424 19547 889 1 4 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.909 -4.057 19547 890 1 4 . 1 1 22 22 ILE H H 22 8.107 8.107 8.430 -0.323 19547 891 1 4 . 1 1 23 23 LEU N N 23 129.208 129.208 130.132 -0.924 19547 892 1 4 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.209 0.058 19547 893 1 4 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.858 -0.368 19547 894 1 4 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.816 0.417 19547 895 1 4 . 1 1 23 23 LEU H H 23 8.910 8.910 8.389 0.521 19547 896 1 4 . 1 1 24 24 GLY N N 24 104.396 104.396 103.923 0.473 19547 897 1 4 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.800 1.169 19547 898 1 4 . 1 1 24 24 GLY H H 24 7.493 7.493 7.656 -0.163 19547 899 1 4 . 1 1 25 25 VAL N N 25 120.463 120.463 115.301 5.162 19547 900 1 4 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.566 0.055 19547 901 1 4 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.271 2.252 19547 902 1 4 . 1 1 25 25 VAL CB C 25 35.733 35.733 34.875 0.858 19547 903 1 4 . 1 1 25 25 VAL H H 25 8.406 8.406 8.187 0.219 19547 904 1 4 . 1 1 26 26 SER N N 26 121.835 121.835 117.554 4.281 19547 905 1 4 . 1 1 26 26 SER HA H 26 4.612 4.612 4.771 -0.159 19547 906 1 4 . 1 1 26 26 SER CA C 26 56.564 56.564 57.919 -1.355 19547 907 1 4 . 1 1 26 26 SER CB C 26 63.858 63.858 63.779 0.079 19547 908 1 4 . 1 1 26 26 SER H H 26 8.545 8.545 8.690 -0.145 19547 909 1 4 . 1 1 27 27 GLY N N 27 118.379 118.379 111.533 6.846 19547 910 1 4 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.546 1.881 19547 911 1 4 . 1 1 27 27 GLY H H 27 8.714 8.714 8.556 0.158 19547 912 1 4 . 1 1 28 28 GLN N N 28 124.776 124.776 122.883 1.893 19547 913 1 4 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.526 -0.237 19547 914 1 4 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.439 -0.440 19547 915 1 4 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.725 0.219 19547 916 1 4 . 1 1 28 28 GLN H H 28 9.208 9.208 8.577 0.631 19547 917 1 4 . 1 1 29 29 GLN N N 29 118.507 118.507 119.673 -1.166 19547 918 1 4 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.517 0.055 19547 919 1 4 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.744 0.642 19547 920 1 4 . 1 1 29 29 GLN H H 29 8.423 8.423 7.925 0.498 19547 921 1 4 . 1 1 30 30 VAL N N 30 126.854 126.854 119.140 7.714 19547 922 1 4 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.390 0.166 19547 923 1 4 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.084 -0.473 19547 924 1 4 . 1 1 30 30 VAL CB C 30 34.293 34.293 34.930 -0.637 19547 925 1 4 . 1 1 30 30 VAL H H 30 9.304 9.304 8.264 1.040 19547 926 1 4 . 1 1 31 31 ARG N N 31 127.878 127.878 125.904 1.974 19547 927 1 4 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.805 -0.196 19547 928 1 4 . 1 1 31 31 ARG CA C 31 55.568 55.568 55.040 0.528 19547 929 1 4 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.212 -1.681 19547 930 1 4 . 1 1 31 31 ARG H H 31 8.683 8.683 9.012 -0.329 19547 931 1 4 . 1 1 32 32 ILE N N 32 127.071 127.071 123.592 3.479 19547 932 1 4 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.416 -1.761 19547 933 1 4 . 1 1 32 32 ILE H H 32 8.958 8.958 8.550 0.408 19547 934 1 4 . 1 1 33 33 GLY N N 33 112.801 112.801 112.821 -0.020 19547 935 1 4 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.623 0.952 19547 936 1 4 . 1 1 33 33 GLY H H 33 9.114 9.114 9.025 0.089 19547 937 1 4 . 1 1 34 34 ILE N N 34 125.117 125.117 119.079 6.038 19547 938 1 4 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.758 0.045 19547 939 1 4 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.273 0.520 19547 940 1 4 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.338 -1.239 19547 941 1 4 . 1 1 34 34 ILE H H 34 9.566 9.566 8.117 1.449 19547 942 1 4 . 1 1 35 35 ASN N N 35 129.274 129.274 123.808 5.466 19547 943 1 4 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.949 0.130 19547 944 1 4 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.564 -0.378 19547 945 1 4 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.991 0.325 19547 946 1 4 . 1 1 35 35 ASN H H 35 8.908 8.908 8.716 0.192 19547 947 1 4 . 1 1 36 36 ALA N N 36 125.590 125.590 127.261 -1.671 19547 948 1 4 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.288 -0.226 19547 949 1 4 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.416 -0.067 19547 950 1 4 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.021 -1.120 19547 951 1 4 . 1 1 36 36 ALA H H 36 8.241 8.241 8.063 0.178 19547 952 1 4 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.587 -0.182 19547 953 1 4 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.099 0.797 19547 954 1 4 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.489 -0.087 19547 955 1 4 . 1 1 38 38 LYS N N 38 120.951 120.951 120.672 0.279 19547 956 1 4 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.146 -0.383 19547 957 1 4 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.661 1.171 19547 958 1 4 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.729 0.199 19547 959 1 4 . 1 1 38 38 LYS H H 38 8.549 8.549 8.555 -0.006 19547 960 1 4 . 1 1 39 39 ASP N N 39 113.835 113.835 118.908 -5.073 19547 961 1 4 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.480 -0.134 19547 962 1 4 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.252 -1.183 19547 963 1 4 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.978 -1.104 19547 964 1 4 . 1 1 39 39 ASP H H 39 8.126 8.126 8.413 -0.287 19547 965 1 4 . 1 1 40 40 VAL N N 40 122.591 122.591 114.476 8.115 19547 966 1 4 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.447 -0.485 19547 967 1 4 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.816 2.109 19547 968 1 4 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.317 -3.472 19547 969 1 4 . 1 1 40 40 VAL H H 40 8.002 8.002 7.438 0.564 19547 970 1 4 . 1 1 41 41 ALA N N 41 133.626 133.626 126.042 7.584 19547 971 1 4 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.988 -0.550 19547 972 1 4 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.469 0.722 19547 973 1 4 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.264 -1.214 19547 974 1 4 . 1 1 41 41 ALA H H 41 8.884 8.884 8.264 0.620 19547 975 1 4 . 1 1 42 42 VAL N N 42 124.906 124.906 118.285 6.621 19547 976 1 4 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.420 -0.018 19547 977 1 4 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.803 -1.242 19547 978 1 4 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.440 1.171 19547 979 1 4 . 1 1 42 42 VAL H H 42 7.812 7.812 7.795 0.017 19547 980 1 4 . 1 1 43 43 HIS N N 43 119.082 119.082 123.784 -4.702 19547 981 1 4 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.791 0.668 19547 982 1 4 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.127 -1.184 19547 983 1 4 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.121 5.259 19547 984 1 4 . 1 1 43 43 HIS H H 43 8.652 8.652 8.294 0.358 19547 985 1 4 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.353 -0.404 19547 986 1 4 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.239 2.135 19547 987 1 4 . 1 1 45 45 GLU N N 45 126.045 126.045 122.235 3.810 19547 988 1 4 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.962 0.382 19547 989 1 4 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.623 0.297 19547 990 1 4 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.583 0.497 19547 991 1 4 . 1 1 45 45 GLU H H 45 7.873 7.873 8.909 -1.036 19547 992 1 4 . 1 1 46 46 GLU N N 46 118.418 118.418 118.088 0.330 19547 993 1 4 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.145 0.103 19547 994 1 4 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.822 -0.055 19547 995 1 4 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.382 -2.157 19547 996 1 4 . 1 1 46 46 GLU H H 46 10.810 10.810 8.538 2.272 19547 997 1 4 . 1 1 47 47 ILE N N 47 122.170 122.170 118.485 3.685 19547 998 1 4 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.890 -0.074 19547 999 1 4 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.473 -1.195 19547 1000 1 4 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.177 -2.694 19547 1001 1 4 . 1 1 47 47 ILE H H 47 7.221 7.221 7.486 -0.265 19547 1002 1 4 . 1 1 48 48 TYR N N 48 122.213 122.213 122.178 0.035 19547 1003 1 4 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.925 -0.272 19547 1004 1 4 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.073 -0.053 19547 1005 1 4 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.267 0.783 19547 1006 1 4 . 1 1 48 48 TYR H H 48 8.115 8.115 8.687 -0.572 19547 1007 1 4 . 1 1 49 49 GLN N N 49 115.426 115.426 116.578 -1.152 19547 1008 1 4 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.974 -0.128 19547 1009 1 4 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.037 0.408 19547 1010 1 4 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.538 -0.346 19547 1011 1 4 . 1 1 49 49 GLN H H 49 8.602 8.602 7.867 0.735 19547 1012 1 4 . 1 1 50 50 ARG N N 50 120.058 120.058 116.548 3.510 19547 1013 1 4 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.174 -0.184 19547 1014 1 4 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.277 1.736 19547 1015 1 4 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.237 0.056 19547 1016 1 4 . 1 1 50 50 ARG H H 50 7.171 7.171 7.588 -0.417 19547 1017 1 4 . 1 1 51 51 ILE N N 51 120.766 120.766 119.006 1.760 19547 1018 1 4 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.749 -0.120 19547 1019 1 4 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.630 0.675 19547 1020 1 4 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.994 -0.051 19547 1021 1 4 . 1 1 51 51 ILE H H 51 7.893 7.893 7.013 0.880 19547 1022 1 4 . 1 1 52 52 GLN N N 52 119.013 119.013 117.539 1.474 19547 1023 1 4 . 1 1 52 52 GLN HA H 52 3.822 3.822 3.982 -0.160 19547 1024 1 4 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.477 0.951 19547 1025 1 4 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.405 0.875 19547 1026 1 4 . 1 1 52 52 GLN H H 52 7.907 7.907 7.434 0.473 19547 1027 1 4 . 1 1 53 53 ALA N N 53 120.605 120.605 120.689 -0.084 19547 1028 1 4 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.155 0.031 19547 1029 1 4 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.081 0.076 19547 1030 1 4 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.898 -0.254 19547 1031 1 4 . 1 1 53 53 ALA H H 53 7.592 7.592 7.832 -0.240 19547 1032 1 4 . 1 1 54 54 GLY N N 54 105.866 105.866 104.258 1.608 19547 1033 1 4 . 1 1 54 54 GLY CA C 54 45.622 45.622 45.004 0.619 19547 1034 1 4 . 1 1 54 54 GLY H H 54 7.720 7.720 7.715 0.005 19547 1035 1 4 . 1 1 55 55 LEU N N 55 120.773 120.773 116.523 4.250 19547 1036 1 4 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.986 -0.660 19547 1037 1 4 . 1 1 55 55 LEU CA C 55 55.105 55.105 53.917 1.188 19547 1038 1 4 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.677 -0.430 19547 1039 1 4 . 1 1 55 55 LEU H H 55 7.697 7.697 7.753 -0.056 19547 1040 1 4 . 1 1 56 56 THR N N 56 113.079 113.079 112.415 0.664 19547 1041 1 4 . 1 1 56 56 THR HA H 56 4.253 4.253 4.428 -0.175 19547 1042 1 4 . 1 1 56 56 THR CA C 56 61.320 61.320 61.846 -0.526 19547 1043 1 4 . 1 1 56 56 THR CB C 56 69.885 69.885 69.732 0.153 19547 1044 1 4 . 1 1 56 56 THR H H 56 7.743 7.743 8.285 -0.542 19547 1045 1 4 . 1 1 57 57 ALA N N 57 127.233 127.233 124.167 3.066 19547 1046 1 4 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.729 -0.226 19547 1047 1 4 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.510 0.059 19547 1048 1 4 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.130 -0.836 19547 1049 1 4 . 1 1 57 57 ALA H H 57 8.072 8.072 7.882 0.190 19547 1050 1 4 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.406 -0.092 19547 1051 1 4 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.339 1.025 19547 1052 1 4 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.376 -0.520 19547 1053 1 5 . 1 1 2 2 LEU N N 2 125.858 125.858 127.110 -1.252 19547 1054 1 5 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.941 -0.353 19547 1055 1 5 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.485 -0.308 19547 1056 1 5 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.465 -1.082 19547 1057 1 5 . 1 1 2 2 LEU H H 2 8.415 8.415 8.578 -0.163 19547 1058 1 5 . 1 1 3 3 ILE N N 3 130.863 130.863 125.020 5.843 19547 1059 1 5 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.533 0.320 19547 1060 1 5 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.703 -0.384 19547 1061 1 5 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.790 -1.739 19547 1062 1 5 . 1 1 3 3 ILE H H 3 10.198 10.198 8.298 1.900 19547 1063 1 5 . 1 1 4 4 LEU N N 4 123.561 123.561 125.370 -1.809 19547 1064 1 5 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.692 -0.149 19547 1065 1 5 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.871 -1.464 19547 1066 1 5 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.903 1.447 19547 1067 1 5 . 1 1 4 4 LEU H H 4 8.846 8.846 8.361 0.485 19547 1068 1 5 . 1 1 5 5 THR N N 5 123.256 123.256 117.584 5.672 19547 1069 1 5 . 1 1 5 5 THR HA H 5 5.469 5.469 4.765 0.704 19547 1070 1 5 . 1 1 5 5 THR CA C 5 60.415 60.415 61.533 -1.118 19547 1071 1 5 . 1 1 5 5 THR CB C 5 69.449 69.449 69.585 -0.136 19547 1072 1 5 . 1 1 5 5 THR H H 5 9.094 9.094 8.273 0.821 19547 1073 1 5 . 1 1 6 6 ARG N N 6 123.316 123.316 122.333 0.983 19547 1074 1 5 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.060 -0.151 19547 1075 1 5 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.739 0.317 19547 1076 1 5 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.588 5.132 19547 1077 1 5 . 1 1 6 6 ARG H H 6 9.161 9.161 8.451 0.710 19547 1078 1 5 . 1 1 7 7 LYS N N 7 122.466 122.466 120.125 2.341 19547 1079 1 5 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.662 0.551 19547 1080 1 5 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.151 -1.127 19547 1081 1 5 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.810 -1.901 19547 1082 1 5 . 1 1 7 7 LYS H H 7 9.295 9.295 8.617 0.678 19547 1083 1 5 . 1 1 8 8 VAL N N 8 118.123 118.123 119.035 -0.912 19547 1084 1 5 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.805 -0.527 19547 1085 1 5 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.667 2.247 19547 1086 1 5 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.573 1.016 19547 1087 1 5 . 1 1 8 8 VAL H H 8 7.576 7.576 8.500 -0.924 19547 1088 1 5 . 1 1 9 9 GLY N N 9 116.005 116.005 115.363 0.642 19547 1089 1 5 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.630 -0.048 19547 1090 1 5 . 1 1 9 9 GLY H H 9 9.255 9.255 9.107 0.148 19547 1091 1 5 . 1 1 10 10 GLU N N 10 119.485 119.485 120.864 -1.379 19547 1092 1 5 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.528 0.354 19547 1093 1 5 . 1 1 10 10 GLU CA C 10 55.692 55.692 56.108 -0.416 19547 1094 1 5 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.117 1.466 19547 1095 1 5 . 1 1 10 10 GLU H H 10 8.364 8.364 8.216 0.148 19547 1096 1 5 . 1 1 11 11 SER N N 11 112.365 112.365 113.530 -1.165 19547 1097 1 5 . 1 1 11 11 SER HA H 11 5.866 5.866 5.377 0.489 19547 1098 1 5 . 1 1 11 11 SER CA C 11 57.942 57.942 56.874 1.068 19547 1099 1 5 . 1 1 11 11 SER CB C 11 67.035 67.035 66.236 0.799 19547 1100 1 5 . 1 1 11 11 SER H H 11 8.620 8.620 8.382 0.238 19547 1101 1 5 . 1 1 12 12 ILE N N 12 124.398 124.398 121.312 3.086 19547 1102 1 5 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.431 -0.089 19547 1103 1 5 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.424 0.475 19547 1104 1 5 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.484 0.307 19547 1105 1 5 . 1 1 12 12 ILE H H 12 9.260 9.260 9.037 0.223 19547 1106 1 5 . 1 1 13 13 ASN N N 13 126.218 126.218 121.010 5.208 19547 1107 1 5 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.131 -0.107 19547 1108 1 5 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.428 0.891 19547 1109 1 5 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.448 0.014 19547 1110 1 5 . 1 1 13 13 ASN H H 13 9.364 9.364 8.513 0.851 19547 1111 1 5 . 1 1 14 14 ILE N N 14 123.971 123.971 121.956 2.015 19547 1112 1 5 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.439 0.017 19547 1113 1 5 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.718 -0.146 19547 1114 1 5 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.055 -2.531 19547 1115 1 5 . 1 1 14 14 ILE H H 14 8.451 8.451 8.498 -0.047 19547 1116 1 5 . 1 1 15 15 GLY N N 15 115.306 115.306 114.427 0.879 19547 1117 1 5 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.061 -0.001 19547 1118 1 5 . 1 1 15 15 GLY H H 15 9.075 9.075 8.582 0.493 19547 1119 1 5 . 1 1 16 16 ASP N N 16 120.409 120.409 121.019 -0.610 19547 1120 1 5 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.704 0.205 19547 1121 1 5 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.060 1.296 19547 1122 1 5 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.315 0.955 19547 1123 1 5 . 1 1 16 16 ASP H H 16 8.713 8.713 8.340 0.373 19547 1124 1 5 . 1 1 17 17 ASP N N 17 115.565 115.565 120.019 -4.454 19547 1125 1 5 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.900 -0.171 19547 1126 1 5 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.681 -0.558 19547 1127 1 5 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.727 -1.209 19547 1128 1 5 . 1 1 17 17 ASP H H 17 8.149 8.149 7.846 0.303 19547 1129 1 5 . 1 1 18 18 ILE N N 18 118.660 118.660 119.497 -0.837 19547 1130 1 5 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.089 0.089 19547 1131 1 5 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.432 -0.279 19547 1132 1 5 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.437 -2.825 19547 1133 1 5 . 1 1 18 18 ILE H H 18 7.181 7.181 7.664 -0.483 19547 1134 1 5 . 1 1 19 19 THR N N 19 122.893 122.893 120.803 2.090 19547 1135 1 5 . 1 1 19 19 THR HA H 19 5.104 5.104 5.068 0.036 19547 1136 1 5 . 1 1 19 19 THR CA C 19 60.949 60.949 61.670 -0.721 19547 1137 1 5 . 1 1 19 19 THR CB C 19 71.669 71.669 72.341 -0.672 19547 1138 1 5 . 1 1 19 19 THR H H 19 8.922 8.922 8.318 0.604 19547 1139 1 5 . 1 1 20 20 ILE N N 20 123.852 123.852 122.195 1.657 19547 1140 1 5 . 1 1 20 20 ILE HA H 20 4.841 4.841 5.031 -0.190 19547 1141 1 5 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.167 -0.237 19547 1142 1 5 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.045 -1.745 19547 1143 1 5 . 1 1 20 20 ILE H H 20 8.930 8.930 9.062 -0.132 19547 1144 1 5 . 1 1 21 21 THR N N 21 123.855 123.855 119.828 4.027 19547 1145 1 5 . 1 1 21 21 THR HA H 21 4.821 4.821 4.946 -0.125 19547 1146 1 5 . 1 1 21 21 THR CA C 21 61.436 61.436 61.629 -0.193 19547 1147 1 5 . 1 1 21 21 THR CB C 21 71.939 71.939 72.040 -0.101 19547 1148 1 5 . 1 1 21 21 THR H H 21 9.372 9.372 8.689 0.683 19547 1149 1 5 . 1 1 22 22 ILE N N 22 125.561 125.561 127.987 -2.426 19547 1150 1 5 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.335 -0.243 19547 1151 1 5 . 1 1 22 22 ILE CA C 22 59.103 59.103 59.126 -0.023 19547 1152 1 5 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.859 -4.007 19547 1153 1 5 . 1 1 22 22 ILE H H 22 8.107 8.107 8.477 -0.370 19547 1154 1 5 . 1 1 23 23 LEU N N 23 129.208 129.208 129.809 -0.601 19547 1155 1 5 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.210 0.057 19547 1156 1 5 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.759 -0.269 19547 1157 1 5 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.854 0.379 19547 1158 1 5 . 1 1 23 23 LEU H H 23 8.910 8.910 8.218 0.692 19547 1159 1 5 . 1 1 24 24 GLY N N 24 104.396 104.396 104.513 -0.117 19547 1160 1 5 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.804 1.164 19547 1161 1 5 . 1 1 24 24 GLY H H 24 7.493 7.493 7.628 -0.135 19547 1162 1 5 . 1 1 25 25 VAL N N 25 120.463 120.463 116.547 3.916 19547 1163 1 5 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.623 -0.002 19547 1164 1 5 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.242 2.281 19547 1165 1 5 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.257 0.476 19547 1166 1 5 . 1 1 25 25 VAL H H 25 8.406 8.406 8.148 0.258 19547 1167 1 5 . 1 1 26 26 SER N N 26 121.835 121.835 116.194 5.641 19547 1168 1 5 . 1 1 26 26 SER HA H 26 4.612 4.612 4.648 -0.036 19547 1169 1 5 . 1 1 26 26 SER CA C 26 56.564 56.564 58.405 -1.841 19547 1170 1 5 . 1 1 26 26 SER CB C 26 63.858 63.858 64.609 -0.751 19547 1171 1 5 . 1 1 26 26 SER H H 26 8.545 8.545 8.673 -0.128 19547 1172 1 5 . 1 1 27 27 GLY N N 27 118.379 118.379 110.759 7.620 19547 1173 1 5 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.820 2.607 19547 1174 1 5 . 1 1 27 27 GLY H H 27 8.714 8.714 7.769 0.945 19547 1175 1 5 . 1 1 28 28 GLN N N 28 124.776 124.776 121.640 3.136 19547 1176 1 5 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.360 -0.071 19547 1177 1 5 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.385 -1.386 19547 1178 1 5 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.781 1.163 19547 1179 1 5 . 1 1 28 28 GLN H H 28 9.208 9.208 8.469 0.739 19547 1180 1 5 . 1 1 29 29 GLN N N 29 118.507 118.507 118.381 0.126 19547 1181 1 5 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.441 0.131 19547 1182 1 5 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.291 1.095 19547 1183 1 5 . 1 1 29 29 GLN H H 29 8.423 8.423 8.067 0.356 19547 1184 1 5 . 1 1 30 30 VAL N N 30 126.854 126.854 119.499 7.355 19547 1185 1 5 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.337 0.219 19547 1186 1 5 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.304 -0.693 19547 1187 1 5 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.111 -0.818 19547 1188 1 5 . 1 1 30 30 VAL H H 30 9.304 9.304 8.264 1.040 19547 1189 1 5 . 1 1 31 31 ARG N N 31 127.878 127.878 125.403 2.475 19547 1190 1 5 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.807 -0.198 19547 1191 1 5 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.949 0.619 19547 1192 1 5 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.345 -1.814 19547 1193 1 5 . 1 1 31 31 ARG H H 31 8.683 8.683 8.980 -0.297 19547 1194 1 5 . 1 1 32 32 ILE N N 32 127.071 127.071 123.186 3.885 19547 1195 1 5 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.322 -1.667 19547 1196 1 5 . 1 1 32 32 ILE H H 32 8.958 8.958 8.542 0.416 19547 1197 1 5 . 1 1 33 33 GLY N N 33 112.801 112.801 112.110 0.691 19547 1198 1 5 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.666 0.909 19547 1199 1 5 . 1 1 33 33 GLY H H 33 9.114 9.114 8.974 0.140 19547 1200 1 5 . 1 1 34 34 ILE N N 34 125.117 125.117 119.262 5.855 19547 1201 1 5 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.822 -0.019 19547 1202 1 5 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.182 0.611 19547 1203 1 5 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.409 -1.310 19547 1204 1 5 . 1 1 34 34 ILE H H 34 9.566 9.566 8.125 1.441 19547 1205 1 5 . 1 1 35 35 ASN N N 35 129.274 129.274 123.858 5.416 19547 1206 1 5 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.947 0.132 19547 1207 1 5 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.470 -0.284 19547 1208 1 5 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.834 0.482 19547 1209 1 5 . 1 1 35 35 ASN H H 35 8.908 8.908 8.639 0.269 19547 1210 1 5 . 1 1 36 36 ALA N N 36 125.590 125.590 127.291 -1.701 19547 1211 1 5 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.275 -0.213 19547 1212 1 5 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.393 -0.044 19547 1213 1 5 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.972 -1.071 19547 1214 1 5 . 1 1 36 36 ALA H H 36 8.241 8.241 8.046 0.195 19547 1215 1 5 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.586 -0.181 19547 1216 1 5 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.078 0.818 19547 1217 1 5 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.492 -0.090 19547 1218 1 5 . 1 1 38 38 LYS N N 38 120.951 120.951 120.516 0.435 19547 1219 1 5 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.143 -0.380 19547 1220 1 5 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.652 1.180 19547 1221 1 5 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.725 0.203 19547 1222 1 5 . 1 1 38 38 LYS H H 38 8.549 8.549 8.547 0.002 19547 1223 1 5 . 1 1 39 39 ASP N N 39 113.835 113.835 118.938 -5.103 19547 1224 1 5 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.478 -0.132 19547 1225 1 5 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.220 -1.151 19547 1226 1 5 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.959 -1.085 19547 1227 1 5 . 1 1 39 39 ASP H H 39 8.126 8.126 8.423 -0.297 19547 1228 1 5 . 1 1 40 40 VAL N N 40 122.591 122.591 114.525 8.066 19547 1229 1 5 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.429 -0.467 19547 1230 1 5 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.809 2.116 19547 1231 1 5 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.250 -3.405 19547 1232 1 5 . 1 1 40 40 VAL H H 40 8.002 8.002 7.404 0.598 19547 1233 1 5 . 1 1 41 41 ALA N N 41 133.626 133.626 125.083 8.543 19547 1234 1 5 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.987 -0.549 19547 1235 1 5 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.367 0.824 19547 1236 1 5 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.985 -0.935 19547 1237 1 5 . 1 1 41 41 ALA H H 41 8.884 8.884 8.272 0.612 19547 1238 1 5 . 1 1 42 42 VAL N N 42 124.906 124.906 117.661 7.245 19547 1239 1 5 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.444 -0.042 19547 1240 1 5 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.553 -0.992 19547 1241 1 5 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.034 0.577 19547 1242 1 5 . 1 1 42 42 VAL H H 42 7.812 7.812 7.761 0.051 19547 1243 1 5 . 1 1 43 43 HIS N N 43 119.082 119.082 123.962 -4.880 19547 1244 1 5 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.816 0.643 19547 1245 1 5 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.209 -1.266 19547 1246 1 5 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.532 4.848 19547 1247 1 5 . 1 1 43 43 HIS H H 43 8.652 8.652 8.406 0.246 19547 1248 1 5 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.501 -0.552 19547 1249 1 5 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.654 2.720 19547 1250 1 5 . 1 1 45 45 GLU N N 45 126.045 126.045 121.235 4.810 19547 1251 1 5 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.056 0.288 19547 1252 1 5 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.884 0.036 19547 1253 1 5 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.207 0.873 19547 1254 1 5 . 1 1 45 45 GLU H H 45 7.873 7.873 9.048 -1.175 19547 1255 1 5 . 1 1 46 46 GLU N N 46 118.418 118.418 116.441 1.977 19547 1256 1 5 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.160 0.088 19547 1257 1 5 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.555 0.212 19547 1258 1 5 . 1 1 46 46 GLU CB C 46 27.225 27.225 28.906 -1.681 19547 1259 1 5 . 1 1 46 46 GLU H H 46 10.810 10.810 8.659 2.151 19547 1260 1 5 . 1 1 47 47 ILE N N 47 122.170 122.170 117.631 4.539 19547 1261 1 5 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.974 -0.158 19547 1262 1 5 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.104 -0.826 19547 1263 1 5 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.472 -2.989 19547 1264 1 5 . 1 1 47 47 ILE H H 47 7.221 7.221 7.671 -0.450 19547 1265 1 5 . 1 1 48 48 TYR N N 48 122.213 122.213 122.334 -0.121 19547 1266 1 5 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.904 -0.251 19547 1267 1 5 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.038 -0.017 19547 1268 1 5 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.366 0.684 19547 1269 1 5 . 1 1 48 48 TYR H H 48 8.115 8.115 8.688 -0.573 19547 1270 1 5 . 1 1 49 49 GLN N N 49 115.426 115.426 116.640 -1.214 19547 1271 1 5 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.958 -0.112 19547 1272 1 5 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.239 0.206 19547 1273 1 5 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.549 -0.357 19547 1274 1 5 . 1 1 49 49 GLN H H 49 8.602 8.602 7.845 0.757 19547 1275 1 5 . 1 1 50 50 ARG N N 50 120.058 120.058 116.377 3.681 19547 1276 1 5 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.209 -0.219 19547 1277 1 5 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.056 1.957 19547 1278 1 5 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.292 0.001 19547 1279 1 5 . 1 1 50 50 ARG H H 50 7.171 7.171 7.679 -0.508 19547 1280 1 5 . 1 1 51 51 ILE N N 51 120.766 120.766 119.213 1.553 19547 1281 1 5 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.786 -0.157 19547 1282 1 5 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.529 0.776 19547 1283 1 5 . 1 1 51 51 ILE CB C 51 37.943 37.943 38.147 -0.204 19547 1284 1 5 . 1 1 51 51 ILE H H 51 7.893 7.893 7.192 0.701 19547 1285 1 5 . 1 1 52 52 GLN N N 52 119.013 119.013 117.400 1.613 19547 1286 1 5 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.108 -0.286 19547 1287 1 5 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.649 1.779 19547 1288 1 5 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.637 0.643 19547 1289 1 5 . 1 1 52 52 GLN H H 52 7.907 7.907 7.479 0.428 19547 1290 1 5 . 1 1 53 53 ALA N N 53 120.605 120.605 121.026 -0.421 19547 1291 1 5 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.152 0.034 19547 1292 1 5 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.912 0.245 19547 1293 1 5 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.095 -0.451 19547 1294 1 5 . 1 1 53 53 ALA H H 53 7.592 7.592 7.070 0.522 19547 1295 1 5 . 1 1 54 54 GLY N N 54 105.866 105.866 104.286 1.580 19547 1296 1 5 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.993 0.629 19547 1297 1 5 . 1 1 54 54 GLY H H 54 7.720 7.720 7.810 -0.090 19547 1298 1 5 . 1 1 55 55 LEU N N 55 120.773 120.773 115.383 5.390 19547 1299 1 5 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.833 -0.507 19547 1300 1 5 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.404 -0.299 19547 1301 1 5 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.950 -0.702 19547 1302 1 5 . 1 1 55 55 LEU H H 55 7.697 7.697 7.547 0.150 19547 1303 1 5 . 1 1 56 56 THR N N 56 113.079 113.079 114.516 -1.437 19547 1304 1 5 . 1 1 56 56 THR HA H 56 4.253 4.253 3.787 0.466 19547 1305 1 5 . 1 1 56 56 THR CA C 56 61.320 61.320 63.748 -2.428 19547 1306 1 5 . 1 1 56 56 THR CB C 56 69.885 69.885 67.179 2.706 19547 1307 1 5 . 1 1 56 56 THR H H 56 7.743 7.743 8.145 -0.402 19547 1308 1 5 . 1 1 57 57 ALA N N 57 127.233 127.233 121.359 5.874 19547 1309 1 5 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.589 -0.086 19547 1310 1 5 . 1 1 57 57 ALA CA C 57 50.569 50.569 49.877 0.692 19547 1311 1 5 . 1 1 57 57 ALA CB C 57 18.294 18.294 20.674 -2.380 19547 1312 1 5 . 1 1 57 57 ALA H H 57 8.072 8.072 7.295 0.777 19547 1313 1 5 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.215 0.099 19547 1314 1 5 . 1 1 58 58 PRO CA C 58 63.364 63.364 65.052 -1.688 19547 1315 1 5 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.196 -0.340 19547 1316 1 6 . 1 1 2 2 LEU N N 2 125.858 125.858 126.130 -0.272 19547 1317 1 6 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.820 -0.232 19547 1318 1 6 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.080 -0.903 19547 1319 1 6 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.947 -0.564 19547 1320 1 6 . 1 1 2 2 LEU H H 2 8.415 8.415 8.472 -0.057 19547 1321 1 6 . 1 1 3 3 ILE N N 3 130.863 130.863 124.137 6.726 19547 1322 1 6 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.404 0.449 19547 1323 1 6 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.980 -0.661 19547 1324 1 6 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.075 -1.024 19547 1325 1 6 . 1 1 3 3 ILE H H 3 10.198 10.198 8.304 1.894 19547 1326 1 6 . 1 1 4 4 LEU N N 4 123.561 123.561 126.247 -2.686 19547 1327 1 6 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.687 -0.144 19547 1328 1 6 . 1 1 4 4 LEU CA C 4 52.407 52.407 54.035 -1.628 19547 1329 1 6 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.949 1.401 19547 1330 1 6 . 1 1 4 4 LEU H H 4 8.846 8.846 8.289 0.557 19547 1331 1 6 . 1 1 5 5 THR N N 5 123.256 123.256 117.257 5.999 19547 1332 1 6 . 1 1 5 5 THR HA H 5 5.469 5.469 4.699 0.770 19547 1333 1 6 . 1 1 5 5 THR CA C 5 60.415 60.415 61.413 -0.998 19547 1334 1 6 . 1 1 5 5 THR CB C 5 69.449 69.449 69.587 -0.138 19547 1335 1 6 . 1 1 5 5 THR H H 5 9.094 9.094 8.340 0.754 19547 1336 1 6 . 1 1 6 6 ARG N N 6 123.316 123.316 122.514 0.802 19547 1337 1 6 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.044 -0.135 19547 1338 1 6 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.496 0.560 19547 1339 1 6 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.513 5.207 19547 1340 1 6 . 1 1 6 6 ARG H H 6 9.161 9.161 8.416 0.745 19547 1341 1 6 . 1 1 7 7 LYS N N 7 122.466 122.466 120.513 1.953 19547 1342 1 6 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.604 0.609 19547 1343 1 6 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.112 -1.088 19547 1344 1 6 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.700 -1.791 19547 1345 1 6 . 1 1 7 7 LYS H H 7 9.295 9.295 8.609 0.686 19547 1346 1 6 . 1 1 8 8 VAL N N 8 118.123 118.123 118.925 -0.802 19547 1347 1 6 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.880 -0.602 19547 1348 1 6 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.240 2.674 19547 1349 1 6 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.373 1.216 19547 1350 1 6 . 1 1 8 8 VAL H H 8 7.576 7.576 8.342 -0.766 19547 1351 1 6 . 1 1 9 9 GLY N N 9 116.005 116.005 116.151 -0.146 19547 1352 1 6 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.860 -0.278 19547 1353 1 6 . 1 1 9 9 GLY H H 9 9.255 9.255 9.332 -0.077 19547 1354 1 6 . 1 1 10 10 GLU N N 10 119.485 119.485 118.565 0.920 19547 1355 1 6 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.771 0.111 19547 1356 1 6 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.591 1.101 19547 1357 1 6 . 1 1 10 10 GLU CB C 10 32.583 32.583 33.019 -0.436 19547 1358 1 6 . 1 1 10 10 GLU H H 10 8.364 8.364 7.994 0.370 19547 1359 1 6 . 1 1 11 11 SER N N 11 112.365 112.365 113.295 -0.930 19547 1360 1 6 . 1 1 11 11 SER HA H 11 5.866 5.866 5.359 0.507 19547 1361 1 6 . 1 1 11 11 SER CA C 11 57.942 57.942 57.438 0.504 19547 1362 1 6 . 1 1 11 11 SER CB C 11 67.035 67.035 66.423 0.612 19547 1363 1 6 . 1 1 11 11 SER H H 11 8.620 8.620 8.460 0.160 19547 1364 1 6 . 1 1 12 12 ILE N N 12 124.398 124.398 120.169 4.229 19547 1365 1 6 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.539 -0.197 19547 1366 1 6 . 1 1 12 12 ILE CA C 12 59.899 59.899 60.140 -0.241 19547 1367 1 6 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.897 -0.106 19547 1368 1 6 . 1 1 12 12 ILE H H 12 9.260 9.260 8.814 0.446 19547 1369 1 6 . 1 1 13 13 ASN N N 13 126.218 126.218 121.462 4.756 19547 1370 1 6 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.154 -0.130 19547 1371 1 6 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.075 1.244 19547 1372 1 6 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.354 0.108 19547 1373 1 6 . 1 1 13 13 ASN H H 13 9.364 9.364 8.415 0.949 19547 1374 1 6 . 1 1 14 14 ILE N N 14 123.971 123.971 122.542 1.429 19547 1375 1 6 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.399 0.057 19547 1376 1 6 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.878 -0.307 19547 1377 1 6 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.268 -2.744 19547 1378 1 6 . 1 1 14 14 ILE H H 14 8.451 8.451 8.460 -0.009 19547 1379 1 6 . 1 1 15 15 GLY N N 15 115.306 115.306 114.433 0.873 19547 1380 1 6 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.004 0.056 19547 1381 1 6 . 1 1 15 15 GLY H H 15 9.075 9.075 8.563 0.512 19547 1382 1 6 . 1 1 16 16 ASP N N 16 120.409 120.409 120.474 -0.065 19547 1383 1 6 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.660 0.249 19547 1384 1 6 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.017 1.340 19547 1385 1 6 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.582 0.688 19547 1386 1 6 . 1 1 16 16 ASP H H 16 8.713 8.713 8.390 0.323 19547 1387 1 6 . 1 1 17 17 ASP N N 17 115.565 115.565 119.921 -4.356 19547 1388 1 6 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.898 -0.169 19547 1389 1 6 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.700 -0.577 19547 1390 1 6 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.765 -1.247 19547 1391 1 6 . 1 1 17 17 ASP H H 17 8.149 8.149 7.843 0.306 19547 1392 1 6 . 1 1 18 18 ILE N N 18 118.660 118.660 119.765 -1.105 19547 1393 1 6 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.058 0.120 19547 1394 1 6 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.119 0.035 19547 1395 1 6 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.357 -2.745 19547 1396 1 6 . 1 1 18 18 ILE H H 18 7.181 7.181 7.755 -0.574 19547 1397 1 6 . 1 1 19 19 THR N N 19 122.893 122.893 120.375 2.518 19547 1398 1 6 . 1 1 19 19 THR HA H 19 5.104 5.104 5.036 0.068 19547 1399 1 6 . 1 1 19 19 THR CA C 19 60.949 60.949 61.330 -0.380 19547 1400 1 6 . 1 1 19 19 THR CB C 19 71.669 71.669 72.408 -0.739 19547 1401 1 6 . 1 1 19 19 THR H H 19 8.922 8.922 8.472 0.450 19547 1402 1 6 . 1 1 20 20 ILE N N 20 123.852 123.852 121.926 1.926 19547 1403 1 6 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.842 -0.001 19547 1404 1 6 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.090 -0.160 19547 1405 1 6 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.848 -1.548 19547 1406 1 6 . 1 1 20 20 ILE H H 20 8.930 8.930 9.045 -0.115 19547 1407 1 6 . 1 1 21 21 THR N N 21 123.855 123.855 120.708 3.147 19547 1408 1 6 . 1 1 21 21 THR HA H 21 4.821 4.821 4.965 -0.144 19547 1409 1 6 . 1 1 21 21 THR CA C 21 61.436 61.436 61.799 -0.363 19547 1410 1 6 . 1 1 21 21 THR CB C 21 71.939 71.939 71.791 0.148 19547 1411 1 6 . 1 1 21 21 THR H H 21 9.372 9.372 8.740 0.632 19547 1412 1 6 . 1 1 22 22 ILE N N 22 125.561 125.561 128.804 -3.243 19547 1413 1 6 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.345 -0.253 19547 1414 1 6 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.979 0.124 19547 1415 1 6 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.892 -4.040 19547 1416 1 6 . 1 1 22 22 ILE H H 22 8.107 8.107 8.489 -0.382 19547 1417 1 6 . 1 1 23 23 LEU N N 23 129.208 129.208 130.684 -1.476 19547 1418 1 6 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.205 0.062 19547 1419 1 6 . 1 1 23 23 LEU CA C 23 55.490 55.490 56.003 -0.513 19547 1420 1 6 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.867 0.366 19547 1421 1 6 . 1 1 23 23 LEU H H 23 8.910 8.910 8.350 0.560 19547 1422 1 6 . 1 1 24 24 GLY N N 24 104.396 104.396 103.532 0.864 19547 1423 1 6 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.915 1.053 19547 1424 1 6 . 1 1 24 24 GLY H H 24 7.493 7.493 7.714 -0.221 19547 1425 1 6 . 1 1 25 25 VAL N N 25 120.463 120.463 116.265 4.198 19547 1426 1 6 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.650 -0.029 19547 1427 1 6 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.392 2.131 19547 1428 1 6 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.240 0.493 19547 1429 1 6 . 1 1 25 25 VAL H H 25 8.406 8.406 8.144 0.262 19547 1430 1 6 . 1 1 26 26 SER N N 26 121.835 121.835 117.052 4.783 19547 1431 1 6 . 1 1 26 26 SER HA H 26 4.612 4.612 4.698 -0.086 19547 1432 1 6 . 1 1 26 26 SER CA C 26 56.564 56.564 58.275 -1.711 19547 1433 1 6 . 1 1 26 26 SER CB C 26 63.858 63.858 64.044 -0.186 19547 1434 1 6 . 1 1 26 26 SER H H 26 8.545 8.545 8.997 -0.452 19547 1435 1 6 . 1 1 27 27 GLY N N 27 118.379 118.379 109.618 8.761 19547 1436 1 6 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.795 2.632 19547 1437 1 6 . 1 1 27 27 GLY H H 27 8.714 8.714 8.083 0.631 19547 1438 1 6 . 1 1 28 28 GLN N N 28 124.776 124.776 121.253 3.523 19547 1439 1 6 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.341 -0.052 19547 1440 1 6 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.360 -1.361 19547 1441 1 6 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.695 1.249 19547 1442 1 6 . 1 1 28 28 GLN H H 28 9.208 9.208 8.518 0.690 19547 1443 1 6 . 1 1 29 29 GLN N N 29 118.507 118.507 117.413 1.094 19547 1444 1 6 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.644 -0.072 19547 1445 1 6 . 1 1 29 29 GLN CB C 29 31.386 31.386 31.879 -0.493 19547 1446 1 6 . 1 1 29 29 GLN H H 29 8.423 8.423 7.804 0.619 19547 1447 1 6 . 1 1 30 30 VAL N N 30 126.854 126.854 120.456 6.398 19547 1448 1 6 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.339 0.217 19547 1449 1 6 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.071 -0.460 19547 1450 1 6 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.015 -0.722 19547 1451 1 6 . 1 1 30 30 VAL H H 30 9.304 9.304 8.347 0.957 19547 1452 1 6 . 1 1 31 31 ARG N N 31 127.878 127.878 125.671 2.207 19547 1453 1 6 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.801 -0.192 19547 1454 1 6 . 1 1 31 31 ARG CA C 31 55.568 55.568 55.062 0.506 19547 1455 1 6 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.203 -1.672 19547 1456 1 6 . 1 1 31 31 ARG H H 31 8.683 8.683 8.920 -0.237 19547 1457 1 6 . 1 1 32 32 ILE N N 32 127.071 127.071 123.476 3.595 19547 1458 1 6 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.417 -1.762 19547 1459 1 6 . 1 1 32 32 ILE H H 32 8.958 8.958 8.550 0.408 19547 1460 1 6 . 1 1 33 33 GLY N N 33 112.801 112.801 112.697 0.104 19547 1461 1 6 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.632 0.944 19547 1462 1 6 . 1 1 33 33 GLY H H 33 9.114 9.114 9.028 0.086 19547 1463 1 6 . 1 1 34 34 ILE N N 34 125.117 125.117 118.905 6.212 19547 1464 1 6 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.734 0.069 19547 1465 1 6 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.309 0.484 19547 1466 1 6 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.280 -1.181 19547 1467 1 6 . 1 1 34 34 ILE H H 34 9.566 9.566 8.109 1.457 19547 1468 1 6 . 1 1 35 35 ASN N N 35 129.274 129.274 123.761 5.513 19547 1469 1 6 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.940 0.139 19547 1470 1 6 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.593 -0.407 19547 1471 1 6 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.895 0.421 19547 1472 1 6 . 1 1 35 35 ASN H H 35 8.908 8.908 8.653 0.255 19547 1473 1 6 . 1 1 36 36 ALA N N 36 125.590 125.590 127.038 -1.448 19547 1474 1 6 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.298 -0.236 19547 1475 1 6 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.306 0.043 19547 1476 1 6 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.960 -1.059 19547 1477 1 6 . 1 1 36 36 ALA H H 36 8.241 8.241 8.040 0.202 19547 1478 1 6 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.550 -0.145 19547 1479 1 6 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.178 0.718 19547 1480 1 6 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.449 -0.047 19547 1481 1 6 . 1 1 38 38 LYS N N 38 120.951 120.951 120.732 0.219 19547 1482 1 6 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.115 -0.352 19547 1483 1 6 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.603 1.229 19547 1484 1 6 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.710 0.217 19547 1485 1 6 . 1 1 38 38 LYS H H 38 8.549 8.549 8.503 0.046 19547 1486 1 6 . 1 1 39 39 ASP N N 39 113.835 113.835 118.600 -4.765 19547 1487 1 6 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.494 -0.148 19547 1488 1 6 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.906 -0.836 19547 1489 1 6 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.119 -1.245 19547 1490 1 6 . 1 1 39 39 ASP H H 39 8.126 8.126 8.255 -0.129 19547 1491 1 6 . 1 1 40 40 VAL N N 40 122.591 122.591 113.424 9.167 19547 1492 1 6 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.448 -0.486 19547 1493 1 6 . 1 1 40 40 VAL CA C 40 61.925 61.925 60.037 1.888 19547 1494 1 6 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.659 -3.814 19547 1495 1 6 . 1 1 40 40 VAL H H 40 8.002 8.002 7.429 0.573 19547 1496 1 6 . 1 1 41 41 ALA N N 41 133.626 133.626 125.849 7.777 19547 1497 1 6 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.943 -0.505 19547 1498 1 6 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.284 0.907 19547 1499 1 6 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.927 -0.877 19547 1500 1 6 . 1 1 41 41 ALA H H 41 8.884 8.884 8.315 0.569 19547 1501 1 6 . 1 1 42 42 VAL N N 42 124.906 124.906 119.175 5.731 19547 1502 1 6 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.401 0.001 19547 1503 1 6 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.391 -0.829 19547 1504 1 6 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.577 0.035 19547 1505 1 6 . 1 1 42 42 VAL H H 42 7.812 7.812 7.851 -0.039 19547 1506 1 6 . 1 1 43 43 HIS N N 43 119.082 119.082 122.663 -3.581 19547 1507 1 6 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.886 0.573 19547 1508 1 6 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.399 -1.456 19547 1509 1 6 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.210 5.170 19547 1510 1 6 . 1 1 43 43 HIS H H 43 8.652 8.652 8.366 0.286 19547 1511 1 6 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.361 -0.412 19547 1512 1 6 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.359 2.015 19547 1513 1 6 . 1 1 45 45 GLU N N 45 126.045 126.045 123.021 3.024 19547 1514 1 6 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.969 0.375 19547 1515 1 6 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.754 0.166 19547 1516 1 6 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.532 0.548 19547 1517 1 6 . 1 1 45 45 GLU H H 45 7.873 7.873 8.992 -1.119 19547 1518 1 6 . 1 1 46 46 GLU N N 46 118.418 118.418 119.019 -0.601 19547 1519 1 6 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.165 0.083 19547 1520 1 6 . 1 1 46 46 GLU CA C 46 58.767 58.767 59.027 -0.260 19547 1521 1 6 . 1 1 46 46 GLU CB C 46 27.225 27.225 28.828 -1.603 19547 1522 1 6 . 1 1 46 46 GLU H H 46 10.810 10.810 8.570 2.240 19547 1523 1 6 . 1 1 47 47 ILE N N 47 122.170 122.170 119.593 2.577 19547 1524 1 6 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.843 -0.027 19547 1525 1 6 . 1 1 47 47 ILE CA C 47 61.278 61.278 63.365 -2.087 19547 1526 1 6 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.033 -2.550 19547 1527 1 6 . 1 1 47 47 ILE H H 47 7.221 7.221 7.582 -0.361 19547 1528 1 6 . 1 1 48 48 TYR N N 48 122.213 122.213 122.244 -0.031 19547 1529 1 6 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.948 -0.295 19547 1530 1 6 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.863 0.157 19547 1531 1 6 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.300 0.750 19547 1532 1 6 . 1 1 48 48 TYR H H 48 8.115 8.115 8.721 -0.606 19547 1533 1 6 . 1 1 49 49 GLN N N 49 115.426 115.426 116.400 -0.974 19547 1534 1 6 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.948 -0.102 19547 1535 1 6 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.148 0.297 19547 1536 1 6 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.557 -0.365 19547 1537 1 6 . 1 1 49 49 GLN H H 49 8.602 8.602 7.797 0.805 19547 1538 1 6 . 1 1 50 50 ARG N N 50 120.058 120.058 116.509 3.549 19547 1539 1 6 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.183 -0.193 19547 1540 1 6 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.280 1.733 19547 1541 1 6 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.132 0.161 19547 1542 1 6 . 1 1 50 50 ARG H H 50 7.171 7.171 7.550 -0.379 19547 1543 1 6 . 1 1 51 51 ILE N N 51 120.766 120.766 118.665 2.101 19547 1544 1 6 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.721 -0.092 19547 1545 1 6 . 1 1 51 51 ILE CA C 51 64.305 64.305 62.844 1.461 19547 1546 1 6 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.177 0.766 19547 1547 1 6 . 1 1 51 51 ILE H H 51 7.893 7.893 7.162 0.731 19547 1548 1 6 . 1 1 52 52 GLN N N 52 119.013 119.013 116.795 2.218 19547 1549 1 6 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.173 -0.351 19547 1550 1 6 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.648 1.780 19547 1551 1 6 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.558 0.722 19547 1552 1 6 . 1 1 52 52 GLN H H 52 7.907 7.907 7.375 0.532 19547 1553 1 6 . 1 1 53 53 ALA N N 53 120.605 120.605 121.157 -0.552 19547 1554 1 6 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.173 0.013 19547 1555 1 6 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.844 0.313 19547 1556 1 6 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.137 -0.494 19547 1557 1 6 . 1 1 53 53 ALA H H 53 7.592 7.592 7.026 0.566 19547 1558 1 6 . 1 1 54 54 GLY N N 54 105.866 105.866 105.109 0.757 19547 1559 1 6 . 1 1 54 54 GLY CA C 54 45.622 45.622 45.020 0.603 19547 1560 1 6 . 1 1 54 54 GLY H H 54 7.720 7.720 7.525 0.195 19547 1561 1 6 . 1 1 55 55 LEU N N 55 120.773 120.773 114.234 6.539 19547 1562 1 6 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.832 -0.506 19547 1563 1 6 . 1 1 55 55 LEU CA C 55 55.105 55.105 54.939 0.166 19547 1564 1 6 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.432 -0.185 19547 1565 1 6 . 1 1 55 55 LEU H H 55 7.697 7.697 7.553 0.144 19547 1566 1 6 . 1 1 56 56 THR N N 56 113.079 113.079 117.234 -4.155 19547 1567 1 6 . 1 1 56 56 THR HA H 56 4.253 4.253 4.145 0.108 19547 1568 1 6 . 1 1 56 56 THR CA C 56 61.320 61.320 64.114 -2.794 19547 1569 1 6 . 1 1 56 56 THR CB C 56 69.885 69.885 68.994 0.891 19547 1570 1 6 . 1 1 56 56 THR H H 56 7.743 7.743 7.959 -0.216 19547 1571 1 6 . 1 1 57 57 ALA N N 57 127.233 127.233 123.541 3.692 19547 1572 1 6 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.769 -0.266 19547 1573 1 6 . 1 1 57 57 ALA CA C 57 50.569 50.569 49.893 0.676 19547 1574 1 6 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.642 -1.348 19547 1575 1 6 . 1 1 57 57 ALA H H 57 8.072 8.072 7.677 0.395 19547 1576 1 6 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.393 -0.079 19547 1577 1 6 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.294 1.071 19547 1578 1 6 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.426 -0.570 19547 1579 1 7 . 1 1 2 2 LEU N N 2 125.858 125.858 126.967 -1.109 19547 1580 1 7 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.817 -0.229 19547 1581 1 7 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.946 -0.769 19547 1582 1 7 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.924 -0.541 19547 1583 1 7 . 1 1 2 2 LEU H H 2 8.415 8.415 8.421 -0.006 19547 1584 1 7 . 1 1 3 3 ILE N N 3 130.863 130.863 122.750 8.113 19547 1585 1 7 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.518 0.335 19547 1586 1 7 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.276 0.043 19547 1587 1 7 . 1 1 3 3 ILE CB C 3 38.051 38.051 38.369 -0.318 19547 1588 1 7 . 1 1 3 3 ILE H H 3 10.198 10.198 8.301 1.897 19547 1589 1 7 . 1 1 4 4 LEU N N 4 123.561 123.561 124.096 -0.535 19547 1590 1 7 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.643 -0.100 19547 1591 1 7 . 1 1 4 4 LEU CA C 4 52.407 52.407 54.007 -1.600 19547 1592 1 7 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.825 1.526 19547 1593 1 7 . 1 1 4 4 LEU H H 4 8.846 8.846 8.106 0.740 19547 1594 1 7 . 1 1 5 5 THR N N 5 123.256 123.256 117.440 5.816 19547 1595 1 7 . 1 1 5 5 THR HA H 5 5.469 5.469 4.737 0.732 19547 1596 1 7 . 1 1 5 5 THR CA C 5 60.415 60.415 61.588 -1.173 19547 1597 1 7 . 1 1 5 5 THR CB C 5 69.449 69.449 69.723 -0.274 19547 1598 1 7 . 1 1 5 5 THR H H 5 9.094 9.094 8.333 0.761 19547 1599 1 7 . 1 1 6 6 ARG N N 6 123.316 123.316 122.961 0.355 19547 1600 1 7 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.972 -0.063 19547 1601 1 7 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.656 0.400 19547 1602 1 7 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.445 5.275 19547 1603 1 7 . 1 1 6 6 ARG H H 6 9.161 9.161 8.558 0.603 19547 1604 1 7 . 1 1 7 7 LYS N N 7 122.466 122.466 119.857 2.609 19547 1605 1 7 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.598 0.615 19547 1606 1 7 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.085 -1.061 19547 1607 1 7 . 1 1 7 7 LYS CB C 7 33.909 33.909 34.640 -0.731 19547 1608 1 7 . 1 1 7 7 LYS H H 7 9.295 9.295 8.604 0.691 19547 1609 1 7 . 1 1 8 8 VAL N N 8 118.123 118.123 119.694 -1.571 19547 1610 1 7 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.935 -0.657 19547 1611 1 7 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.629 2.285 19547 1612 1 7 . 1 1 8 8 VAL CB C 8 31.589 31.589 29.735 1.854 19547 1613 1 7 . 1 1 8 8 VAL H H 8 7.576 7.576 8.504 -0.928 19547 1614 1 7 . 1 1 9 9 GLY N N 9 116.005 116.005 116.611 -0.606 19547 1615 1 7 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.701 -0.119 19547 1616 1 7 . 1 1 9 9 GLY H H 9 9.255 9.255 9.159 0.096 19547 1617 1 7 . 1 1 10 10 GLU N N 10 119.485 119.485 120.850 -1.365 19547 1618 1 7 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.528 0.354 19547 1619 1 7 . 1 1 10 10 GLU CA C 10 55.692 55.692 56.120 -0.428 19547 1620 1 7 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.108 1.475 19547 1621 1 7 . 1 1 10 10 GLU H H 10 8.364 8.364 8.254 0.110 19547 1622 1 7 . 1 1 11 11 SER N N 11 112.365 112.365 113.643 -1.278 19547 1623 1 7 . 1 1 11 11 SER HA H 11 5.866 5.866 5.397 0.469 19547 1624 1 7 . 1 1 11 11 SER CA C 11 57.942 57.942 56.863 1.079 19547 1625 1 7 . 1 1 11 11 SER CB C 11 67.035 67.035 66.221 0.815 19547 1626 1 7 . 1 1 11 11 SER H H 11 8.620 8.620 8.390 0.230 19547 1627 1 7 . 1 1 12 12 ILE N N 12 124.398 124.398 120.644 3.754 19547 1628 1 7 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.392 -0.050 19547 1629 1 7 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.565 0.334 19547 1630 1 7 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.324 0.467 19547 1631 1 7 . 1 1 12 12 ILE H H 12 9.260 9.260 8.957 0.303 19547 1632 1 7 . 1 1 13 13 ASN N N 13 126.218 126.218 121.345 4.873 19547 1633 1 7 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.166 -0.142 19547 1634 1 7 . 1 1 13 13 ASN CA C 13 53.319 53.319 51.926 1.393 19547 1635 1 7 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.530 -0.068 19547 1636 1 7 . 1 1 13 13 ASN H H 13 9.364 9.364 8.396 0.968 19547 1637 1 7 . 1 1 14 14 ILE N N 14 123.971 123.971 122.606 1.365 19547 1638 1 7 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.402 0.054 19547 1639 1 7 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.837 -0.266 19547 1640 1 7 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.254 -2.730 19547 1641 1 7 . 1 1 14 14 ILE H H 14 8.451 8.451 8.474 -0.023 19547 1642 1 7 . 1 1 15 15 GLY N N 15 115.306 115.306 114.248 1.058 19547 1643 1 7 . 1 1 15 15 GLY CA C 15 46.060 46.060 45.950 0.110 19547 1644 1 7 . 1 1 15 15 GLY H H 15 9.075 9.075 8.603 0.472 19547 1645 1 7 . 1 1 16 16 ASP N N 16 120.409 120.409 122.609 -2.200 19547 1646 1 7 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.745 0.164 19547 1647 1 7 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.327 1.030 19547 1648 1 7 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.551 0.719 19547 1649 1 7 . 1 1 16 16 ASP H H 16 8.713 8.713 8.415 0.298 19547 1650 1 7 . 1 1 17 17 ASP N N 17 115.565 115.565 119.906 -4.341 19547 1651 1 7 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.907 -0.178 19547 1652 1 7 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.591 -0.468 19547 1653 1 7 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.720 -1.202 19547 1654 1 7 . 1 1 17 17 ASP H H 17 8.149 8.149 7.817 0.332 19547 1655 1 7 . 1 1 18 18 ILE N N 18 118.660 118.660 119.572 -0.912 19547 1656 1 7 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.093 0.085 19547 1657 1 7 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.372 -0.218 19547 1658 1 7 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.385 -2.773 19547 1659 1 7 . 1 1 18 18 ILE H H 18 7.181 7.181 7.688 -0.507 19547 1660 1 7 . 1 1 19 19 THR N N 19 122.893 122.893 120.835 2.058 19547 1661 1 7 . 1 1 19 19 THR HA H 19 5.104 5.104 5.081 0.023 19547 1662 1 7 . 1 1 19 19 THR CA C 19 60.949 60.949 61.564 -0.615 19547 1663 1 7 . 1 1 19 19 THR CB C 19 71.669 71.669 72.292 -0.623 19547 1664 1 7 . 1 1 19 19 THR H H 19 8.922 8.922 8.379 0.543 19547 1665 1 7 . 1 1 20 20 ILE N N 20 123.852 123.852 122.277 1.575 19547 1666 1 7 . 1 1 20 20 ILE HA H 20 4.841 4.841 5.060 -0.219 19547 1667 1 7 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.122 -0.192 19547 1668 1 7 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.772 -1.472 19547 1669 1 7 . 1 1 20 20 ILE H H 20 8.930 8.930 9.155 -0.225 19547 1670 1 7 . 1 1 21 21 THR N N 21 123.855 123.855 120.122 3.733 19547 1671 1 7 . 1 1 21 21 THR HA H 21 4.821 4.821 4.943 -0.122 19547 1672 1 7 . 1 1 21 21 THR CA C 21 61.436 61.436 62.078 -0.642 19547 1673 1 7 . 1 1 21 21 THR CB C 21 71.939 71.939 72.083 -0.144 19547 1674 1 7 . 1 1 21 21 THR H H 21 9.372 9.372 8.750 0.622 19547 1675 1 7 . 1 1 22 22 ILE N N 22 125.561 125.561 127.730 -2.169 19547 1676 1 7 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.442 -0.350 19547 1677 1 7 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.700 0.403 19547 1678 1 7 . 1 1 22 22 ILE CB C 22 33.852 33.852 38.007 -4.155 19547 1679 1 7 . 1 1 22 22 ILE H H 22 8.107 8.107 8.369 -0.262 19547 1680 1 7 . 1 1 23 23 LEU N N 23 129.208 129.208 129.691 -0.483 19547 1681 1 7 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.209 0.058 19547 1682 1 7 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.778 -0.288 19547 1683 1 7 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.822 0.411 19547 1684 1 7 . 1 1 23 23 LEU H H 23 8.910 8.910 8.219 0.691 19547 1685 1 7 . 1 1 24 24 GLY N N 24 104.396 104.396 104.901 -0.505 19547 1686 1 7 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.805 1.163 19547 1687 1 7 . 1 1 24 24 GLY H H 24 7.493 7.493 7.578 -0.085 19547 1688 1 7 . 1 1 25 25 VAL N N 25 120.463 120.463 116.082 4.381 19547 1689 1 7 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.931 -0.310 19547 1690 1 7 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.110 2.413 19547 1691 1 7 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.280 0.453 19547 1692 1 7 . 1 1 25 25 VAL H H 25 8.406 8.406 8.120 0.286 19547 1693 1 7 . 1 1 26 26 SER N N 26 121.835 121.835 118.366 3.469 19547 1694 1 7 . 1 1 26 26 SER HA H 26 4.612 4.612 4.703 -0.091 19547 1695 1 7 . 1 1 26 26 SER CA C 26 56.564 56.564 58.347 -1.783 19547 1696 1 7 . 1 1 26 26 SER CB C 26 63.858 63.858 63.660 0.198 19547 1697 1 7 . 1 1 26 26 SER H H 26 8.545 8.545 8.609 -0.064 19547 1698 1 7 . 1 1 27 27 GLY N N 27 118.379 118.379 111.735 6.644 19547 1699 1 7 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.136 2.291 19547 1700 1 7 . 1 1 27 27 GLY H H 27 8.714 8.714 8.418 0.296 19547 1701 1 7 . 1 1 28 28 GLN N N 28 124.776 124.776 123.668 1.108 19547 1702 1 7 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.449 -0.160 19547 1703 1 7 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.736 -0.737 19547 1704 1 7 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.158 0.786 19547 1705 1 7 . 1 1 28 28 GLN H H 28 9.208 9.208 8.529 0.679 19547 1706 1 7 . 1 1 29 29 GLN N N 29 118.507 118.507 119.644 -1.137 19547 1707 1 7 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.427 0.145 19547 1708 1 7 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.138 1.248 19547 1709 1 7 . 1 1 29 29 GLN H H 29 8.423 8.423 8.124 0.299 19547 1710 1 7 . 1 1 30 30 VAL N N 30 126.854 126.854 118.905 7.949 19547 1711 1 7 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.384 0.172 19547 1712 1 7 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.249 -0.638 19547 1713 1 7 . 1 1 30 30 VAL CB C 30 34.293 34.293 34.816 -0.523 19547 1714 1 7 . 1 1 30 30 VAL H H 30 9.304 9.304 8.232 1.072 19547 1715 1 7 . 1 1 31 31 ARG N N 31 127.878 127.878 125.379 2.499 19547 1716 1 7 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.812 -0.203 19547 1717 1 7 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.910 0.658 19547 1718 1 7 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.330 -1.799 19547 1719 1 7 . 1 1 31 31 ARG H H 31 8.683 8.683 9.037 -0.354 19547 1720 1 7 . 1 1 32 32 ILE N N 32 127.071 127.071 123.209 3.862 19547 1721 1 7 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.233 -1.578 19547 1722 1 7 . 1 1 32 32 ILE H H 32 8.958 8.958 8.549 0.409 19547 1723 1 7 . 1 1 33 33 GLY N N 33 112.801 112.801 112.205 0.596 19547 1724 1 7 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.706 0.869 19547 1725 1 7 . 1 1 33 33 GLY H H 33 9.114 9.114 8.982 0.132 19547 1726 1 7 . 1 1 34 34 ILE N N 34 125.117 125.117 119.473 5.644 19547 1727 1 7 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.859 -0.056 19547 1728 1 7 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.141 0.652 19547 1729 1 7 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.448 -1.349 19547 1730 1 7 . 1 1 34 34 ILE H H 34 9.566 9.566 8.129 1.438 19547 1731 1 7 . 1 1 35 35 ASN N N 35 129.274 129.274 123.794 5.480 19547 1732 1 7 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.951 0.128 19547 1733 1 7 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.447 -0.261 19547 1734 1 7 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.895 0.421 19547 1735 1 7 . 1 1 35 35 ASN H H 35 8.908 8.908 8.663 0.245 19547 1736 1 7 . 1 1 36 36 ALA N N 36 125.590 125.590 127.453 -1.863 19547 1737 1 7 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.283 -0.221 19547 1738 1 7 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.356 -0.007 19547 1739 1 7 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.967 -1.066 19547 1740 1 7 . 1 1 36 36 ALA H H 36 8.241 8.241 8.070 0.171 19547 1741 1 7 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.587 -0.182 19547 1742 1 7 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.084 0.812 19547 1743 1 7 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.497 -0.095 19547 1744 1 7 . 1 1 38 38 LYS N N 38 120.951 120.951 120.655 0.296 19547 1745 1 7 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.140 -0.377 19547 1746 1 7 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.658 1.174 19547 1747 1 7 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.721 0.207 19547 1748 1 7 . 1 1 38 38 LYS H H 38 8.549 8.549 8.552 -0.003 19547 1749 1 7 . 1 1 39 39 ASP N N 39 113.835 113.835 118.894 -5.059 19547 1750 1 7 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.474 -0.128 19547 1751 1 7 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.268 -1.199 19547 1752 1 7 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.970 -1.096 19547 1753 1 7 . 1 1 39 39 ASP H H 39 8.126 8.126 8.416 -0.290 19547 1754 1 7 . 1 1 40 40 VAL N N 40 122.591 122.591 114.428 8.163 19547 1755 1 7 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.440 -0.478 19547 1756 1 7 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.816 2.109 19547 1757 1 7 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.303 -3.458 19547 1758 1 7 . 1 1 40 40 VAL H H 40 8.002 8.002 7.430 0.572 19547 1759 1 7 . 1 1 41 41 ALA N N 41 133.626 133.626 124.916 8.710 19547 1760 1 7 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.974 -0.536 19547 1761 1 7 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.312 0.879 19547 1762 1 7 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.124 -1.074 19547 1763 1 7 . 1 1 41 41 ALA H H 41 8.884 8.884 8.266 0.618 19547 1764 1 7 . 1 1 42 42 VAL N N 42 124.906 124.906 117.336 7.570 19547 1765 1 7 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.451 -0.049 19547 1766 1 7 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.516 -0.955 19547 1767 1 7 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.111 0.500 19547 1768 1 7 . 1 1 42 42 VAL H H 42 7.812 7.812 7.727 0.085 19547 1769 1 7 . 1 1 43 43 HIS N N 43 119.082 119.082 123.524 -4.442 19547 1770 1 7 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.804 0.655 19547 1771 1 7 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.159 -1.216 19547 1772 1 7 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.356 5.024 19547 1773 1 7 . 1 1 43 43 HIS H H 43 8.652 8.652 8.419 0.233 19547 1774 1 7 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.402 -0.453 19547 1775 1 7 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.957 2.417 19547 1776 1 7 . 1 1 45 45 GLU N N 45 126.045 126.045 121.638 4.407 19547 1777 1 7 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.001 0.343 19547 1778 1 7 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.364 0.556 19547 1779 1 7 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.649 0.430 19547 1780 1 7 . 1 1 45 45 GLU H H 45 7.873 7.873 8.984 -1.111 19547 1781 1 7 . 1 1 46 46 GLU N N 46 118.418 118.418 119.149 -0.731 19547 1782 1 7 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.152 0.096 19547 1783 1 7 . 1 1 46 46 GLU CA C 46 58.767 58.767 59.089 -0.322 19547 1784 1 7 . 1 1 46 46 GLU CB C 46 27.225 27.225 28.987 -1.762 19547 1785 1 7 . 1 1 46 46 GLU H H 46 10.810 10.810 8.551 2.259 19547 1786 1 7 . 1 1 47 47 ILE N N 47 122.170 122.170 120.535 1.635 19547 1787 1 7 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.807 0.009 19547 1788 1 7 . 1 1 47 47 ILE CA C 47 61.278 61.278 63.480 -2.202 19547 1789 1 7 . 1 1 47 47 ILE CB C 47 35.483 35.483 37.865 -2.382 19547 1790 1 7 . 1 1 47 47 ILE H H 47 7.221 7.221 7.570 -0.349 19547 1791 1 7 . 1 1 48 48 TYR N N 48 122.213 122.213 121.210 1.003 19547 1792 1 7 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.952 -0.299 19547 1793 1 7 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.810 0.210 19547 1794 1 7 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.184 0.866 19547 1795 1 7 . 1 1 48 48 TYR H H 48 8.115 8.115 8.422 -0.307 19547 1796 1 7 . 1 1 49 49 GLN N N 49 115.426 115.426 116.270 -0.844 19547 1797 1 7 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.935 -0.089 19547 1798 1 7 . 1 1 49 49 GLN CA C 49 58.445 58.445 57.909 0.536 19547 1799 1 7 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.565 -0.373 19547 1800 1 7 . 1 1 49 49 GLN H H 49 8.602 8.602 7.737 0.865 19547 1801 1 7 . 1 1 50 50 ARG N N 50 120.058 120.058 116.584 3.474 19547 1802 1 7 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.162 -0.172 19547 1803 1 7 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.371 1.642 19547 1804 1 7 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.122 0.171 19547 1805 1 7 . 1 1 50 50 ARG H H 50 7.171 7.171 7.660 -0.489 19547 1806 1 7 . 1 1 51 51 ILE N N 51 120.766 120.766 118.427 2.339 19547 1807 1 7 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.752 -0.123 19547 1808 1 7 . 1 1 51 51 ILE CA C 51 64.305 64.305 62.611 1.694 19547 1809 1 7 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.312 0.631 19547 1810 1 7 . 1 1 51 51 ILE H H 51 7.893 7.893 7.288 0.605 19547 1811 1 7 . 1 1 52 52 GLN N N 52 119.013 119.013 116.266 2.747 19547 1812 1 7 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.081 -0.259 19547 1813 1 7 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.435 1.993 19547 1814 1 7 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.479 0.801 19547 1815 1 7 . 1 1 52 52 GLN H H 52 7.907 7.907 7.369 0.538 19547 1816 1 7 . 1 1 53 53 ALA N N 53 120.605 120.605 121.283 -0.678 19547 1817 1 7 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.168 0.018 19547 1818 1 7 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.870 0.288 19547 1819 1 7 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.159 -0.515 19547 1820 1 7 . 1 1 53 53 ALA H H 53 7.592 7.592 7.110 0.482 19547 1821 1 7 . 1 1 54 54 GLY N N 54 105.866 105.866 105.193 0.673 19547 1822 1 7 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.936 0.686 19547 1823 1 7 . 1 1 54 54 GLY H H 54 7.720 7.720 7.579 0.141 19547 1824 1 7 . 1 1 55 55 LEU N N 55 120.773 120.773 114.265 6.508 19547 1825 1 7 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.847 -0.521 19547 1826 1 7 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.015 0.090 19547 1827 1 7 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.262 -0.015 19547 1828 1 7 . 1 1 55 55 LEU H H 55 7.697 7.697 7.413 0.284 19547 1829 1 7 . 1 1 56 56 THR N N 56 113.079 113.079 110.919 2.160 19547 1830 1 7 . 1 1 56 56 THR HA H 56 4.253 4.253 4.129 0.124 19547 1831 1 7 . 1 1 56 56 THR CA C 56 61.320 61.320 63.596 -2.276 19547 1832 1 7 . 1 1 56 56 THR CB C 56 69.885 69.885 68.859 1.026 19547 1833 1 7 . 1 1 56 56 THR H H 56 7.743 7.743 8.084 -0.341 19547 1834 1 7 . 1 1 57 57 ALA N N 57 127.233 127.233 123.234 3.999 19547 1835 1 7 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.620 -0.117 19547 1836 1 7 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.146 0.423 19547 1837 1 7 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.218 -0.924 19547 1838 1 7 . 1 1 57 57 ALA H H 57 8.072 8.072 7.647 0.425 19547 1839 1 7 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.374 -0.060 19547 1840 1 7 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.283 1.081 19547 1841 1 7 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.412 -0.556 19547 1842 1 8 . 1 1 2 2 LEU N N 2 125.858 125.858 126.223 -0.365 19547 1843 1 8 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.828 -0.240 19547 1844 1 8 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.034 -0.857 19547 1845 1 8 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.893 -0.510 19547 1846 1 8 . 1 1 2 2 LEU H H 2 8.415 8.415 8.469 -0.054 19547 1847 1 8 . 1 1 3 3 ILE N N 3 130.863 130.863 124.123 6.740 19547 1848 1 8 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.415 0.438 19547 1849 1 8 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.944 -0.625 19547 1850 1 8 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.146 -1.095 19547 1851 1 8 . 1 1 3 3 ILE H H 3 10.198 10.198 8.315 1.883 19547 1852 1 8 . 1 1 4 4 LEU N N 4 123.561 123.561 126.037 -2.476 19547 1853 1 8 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.686 -0.143 19547 1854 1 8 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.831 -1.424 19547 1855 1 8 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.973 1.377 19547 1856 1 8 . 1 1 4 4 LEU H H 4 8.846 8.846 8.283 0.563 19547 1857 1 8 . 1 1 5 5 THR N N 5 123.256 123.256 117.433 5.823 19547 1858 1 8 . 1 1 5 5 THR HA H 5 5.469 5.469 4.729 0.740 19547 1859 1 8 . 1 1 5 5 THR CA C 5 60.415 60.415 61.517 -1.102 19547 1860 1 8 . 1 1 5 5 THR CB C 5 69.449 69.449 69.596 -0.147 19547 1861 1 8 . 1 1 5 5 THR H H 5 9.094 9.094 8.259 0.835 19547 1862 1 8 . 1 1 6 6 ARG N N 6 123.316 123.316 122.300 1.016 19547 1863 1 8 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.155 -0.246 19547 1864 1 8 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.506 0.550 19547 1865 1 8 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.286 5.434 19547 1866 1 8 . 1 1 6 6 ARG H H 6 9.161 9.161 8.363 0.798 19547 1867 1 8 . 1 1 7 7 LYS N N 7 122.466 122.466 120.624 1.842 19547 1868 1 8 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.568 0.645 19547 1869 1 8 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.274 -1.250 19547 1870 1 8 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.533 -1.624 19547 1871 1 8 . 1 1 7 7 LYS H H 7 9.295 9.295 8.580 0.715 19547 1872 1 8 . 1 1 8 8 VAL N N 8 118.123 118.123 121.192 -3.069 19547 1873 1 8 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.931 -0.653 19547 1874 1 8 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.577 2.337 19547 1875 1 8 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.642 0.947 19547 1876 1 8 . 1 1 8 8 VAL H H 8 7.576 7.576 8.474 -0.898 19547 1877 1 8 . 1 1 9 9 GLY N N 9 116.005 116.005 115.474 0.531 19547 1878 1 8 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.779 -0.197 19547 1879 1 8 . 1 1 9 9 GLY H H 9 9.255 9.255 9.186 0.069 19547 1880 1 8 . 1 1 10 10 GLU N N 10 119.485 119.485 121.201 -1.716 19547 1881 1 8 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.603 0.279 19547 1882 1 8 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.732 -0.040 19547 1883 1 8 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.415 1.168 19547 1884 1 8 . 1 1 10 10 GLU H H 10 8.364 8.364 8.365 -0.001 19547 1885 1 8 . 1 1 11 11 SER N N 11 112.365 112.365 112.891 -0.526 19547 1886 1 8 . 1 1 11 11 SER HA H 11 5.866 5.866 5.345 0.521 19547 1887 1 8 . 1 1 11 11 SER CA C 11 57.942 57.942 57.126 0.816 19547 1888 1 8 . 1 1 11 11 SER CB C 11 67.035 67.035 66.088 0.947 19547 1889 1 8 . 1 1 11 11 SER H H 11 8.620 8.620 8.328 0.292 19547 1890 1 8 . 1 1 12 12 ILE N N 12 124.398 124.398 120.557 3.841 19547 1891 1 8 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.478 -0.136 19547 1892 1 8 . 1 1 12 12 ILE CA C 12 59.899 59.899 60.060 -0.161 19547 1893 1 8 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.932 -0.141 19547 1894 1 8 . 1 1 12 12 ILE H H 12 9.260 9.260 8.849 0.411 19547 1895 1 8 . 1 1 13 13 ASN N N 13 126.218 126.218 120.968 5.250 19547 1896 1 8 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.052 -0.028 19547 1897 1 8 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.561 0.758 19547 1898 1 8 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.632 -0.170 19547 1899 1 8 . 1 1 13 13 ASN H H 13 9.364 9.364 8.483 0.881 19547 1900 1 8 . 1 1 14 14 ILE N N 14 123.971 123.971 121.280 2.691 19547 1901 1 8 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.463 -0.007 19547 1902 1 8 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.765 -0.194 19547 1903 1 8 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.354 -2.830 19547 1904 1 8 . 1 1 14 14 ILE H H 14 8.451 8.451 8.416 0.035 19547 1905 1 8 . 1 1 15 15 GLY N N 15 115.306 115.306 113.957 1.349 19547 1906 1 8 . 1 1 15 15 GLY CA C 15 46.060 46.060 45.907 0.153 19547 1907 1 8 . 1 1 15 15 GLY H H 15 9.075 9.075 8.614 0.461 19547 1908 1 8 . 1 1 16 16 ASP N N 16 120.409 120.409 122.636 -2.227 19547 1909 1 8 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.748 0.161 19547 1910 1 8 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.277 1.080 19547 1911 1 8 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.300 0.970 19547 1912 1 8 . 1 1 16 16 ASP H H 16 8.713 8.713 8.381 0.332 19547 1913 1 8 . 1 1 17 17 ASP N N 17 115.565 115.565 119.941 -4.376 19547 1914 1 8 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.908 -0.179 19547 1915 1 8 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.562 -0.439 19547 1916 1 8 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.671 -1.153 19547 1917 1 8 . 1 1 17 17 ASP H H 17 8.149 8.149 7.877 0.272 19547 1918 1 8 . 1 1 18 18 ILE N N 18 118.660 118.660 119.561 -0.901 19547 1919 1 8 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.121 0.057 19547 1920 1 8 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.391 -0.237 19547 1921 1 8 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.424 -2.812 19547 1922 1 8 . 1 1 18 18 ILE H H 18 7.181 7.181 7.680 -0.499 19547 1923 1 8 . 1 1 19 19 THR N N 19 122.893 122.893 120.760 2.133 19547 1924 1 8 . 1 1 19 19 THR HA H 19 5.104 5.104 4.972 0.132 19547 1925 1 8 . 1 1 19 19 THR CA C 19 60.949 60.949 61.679 -0.730 19547 1926 1 8 . 1 1 19 19 THR CB C 19 71.669 71.669 72.410 -0.741 19547 1927 1 8 . 1 1 19 19 THR H H 19 8.922 8.922 8.492 0.430 19547 1928 1 8 . 1 1 20 20 ILE N N 20 123.852 123.852 121.916 1.936 19547 1929 1 8 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.949 -0.108 19547 1930 1 8 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.138 -0.208 19547 1931 1 8 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.068 -1.768 19547 1932 1 8 . 1 1 20 20 ILE H H 20 8.930 8.930 9.152 -0.222 19547 1933 1 8 . 1 1 21 21 THR N N 21 123.855 123.855 120.435 3.420 19547 1934 1 8 . 1 1 21 21 THR HA H 21 4.821 4.821 4.912 -0.091 19547 1935 1 8 . 1 1 21 21 THR CA C 21 61.436 61.436 61.713 -0.277 19547 1936 1 8 . 1 1 21 21 THR CB C 21 71.939 71.939 71.854 0.085 19547 1937 1 8 . 1 1 21 21 THR H H 21 9.372 9.372 8.711 0.661 19547 1938 1 8 . 1 1 22 22 ILE N N 22 125.561 125.561 128.826 -3.265 19547 1939 1 8 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.343 -0.251 19547 1940 1 8 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.893 0.210 19547 1941 1 8 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.618 -3.766 19547 1942 1 8 . 1 1 22 22 ILE H H 22 8.107 8.107 8.311 -0.204 19547 1943 1 8 . 1 1 23 23 LEU N N 23 129.208 129.208 128.377 0.831 19547 1944 1 8 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.351 -0.084 19547 1945 1 8 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.805 -0.315 19547 1946 1 8 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.688 0.546 19547 1947 1 8 . 1 1 23 23 LEU H H 23 8.910 8.910 8.269 0.641 19547 1948 1 8 . 1 1 24 24 GLY N N 24 104.396 104.396 104.925 -0.529 19547 1949 1 8 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.902 1.066 19547 1950 1 8 . 1 1 24 24 GLY H H 24 7.493 7.493 7.607 -0.114 19547 1951 1 8 . 1 1 25 25 VAL N N 25 120.463 120.463 116.249 4.214 19547 1952 1 8 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.619 0.002 19547 1953 1 8 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.893 2.630 19547 1954 1 8 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.437 0.296 19547 1955 1 8 . 1 1 25 25 VAL H H 25 8.406 8.406 8.133 0.273 19547 1956 1 8 . 1 1 26 26 SER N N 26 121.835 121.835 117.731 4.104 19547 1957 1 8 . 1 1 26 26 SER HA H 26 4.612 4.612 4.656 -0.044 19547 1958 1 8 . 1 1 26 26 SER CA C 26 56.564 56.564 58.063 -1.499 19547 1959 1 8 . 1 1 26 26 SER CB C 26 63.858 63.858 63.214 0.645 19547 1960 1 8 . 1 1 26 26 SER H H 26 8.545 8.545 8.959 -0.414 19547 1961 1 8 . 1 1 27 27 GLY N N 27 118.379 118.379 109.991 8.388 19547 1962 1 8 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.943 2.484 19547 1963 1 8 . 1 1 27 27 GLY H H 27 8.714 8.714 8.309 0.405 19547 1964 1 8 . 1 1 28 28 GLN N N 28 124.776 124.776 122.152 2.624 19547 1965 1 8 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.354 -0.065 19547 1966 1 8 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.508 -1.509 19547 1967 1 8 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.544 1.400 19547 1968 1 8 . 1 1 28 28 GLN H H 28 9.208 9.208 8.554 0.654 19547 1969 1 8 . 1 1 29 29 GLN N N 29 118.507 118.507 117.288 1.219 19547 1970 1 8 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.630 -0.058 19547 1971 1 8 . 1 1 29 29 GLN CB C 29 31.386 31.386 31.533 -0.147 19547 1972 1 8 . 1 1 29 29 GLN H H 29 8.423 8.423 7.635 0.788 19547 1973 1 8 . 1 1 30 30 VAL N N 30 126.854 126.854 119.745 7.109 19547 1974 1 8 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.332 0.224 19547 1975 1 8 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.297 -0.686 19547 1976 1 8 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.289 -0.996 19547 1977 1 8 . 1 1 30 30 VAL H H 30 9.304 9.304 8.338 0.966 19547 1978 1 8 . 1 1 31 31 ARG N N 31 127.878 127.878 125.454 2.424 19547 1979 1 8 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.797 -0.188 19547 1980 1 8 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.881 0.687 19547 1981 1 8 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.008 -1.477 19547 1982 1 8 . 1 1 31 31 ARG H H 31 8.683 8.683 9.003 -0.320 19547 1983 1 8 . 1 1 32 32 ILE N N 32 127.071 127.071 123.522 3.549 19547 1984 1 8 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.563 -1.908 19547 1985 1 8 . 1 1 32 32 ILE H H 32 8.958 8.958 8.541 0.417 19547 1986 1 8 . 1 1 33 33 GLY N N 33 112.801 112.801 112.495 0.306 19547 1987 1 8 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.647 0.928 19547 1988 1 8 . 1 1 33 33 GLY H H 33 9.114 9.114 8.975 0.139 19547 1989 1 8 . 1 1 34 34 ILE N N 34 125.117 125.117 119.163 5.954 19547 1990 1 8 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.746 0.057 19547 1991 1 8 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.274 0.519 19547 1992 1 8 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.342 -1.242 19547 1993 1 8 . 1 1 34 34 ILE H H 34 9.566 9.566 8.119 1.447 19547 1994 1 8 . 1 1 35 35 ASN N N 35 129.274 129.274 123.754 5.520 19547 1995 1 8 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.943 0.136 19547 1996 1 8 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.655 -0.469 19547 1997 1 8 . 1 1 35 35 ASN CB C 35 40.316 40.316 40.028 0.289 19547 1998 1 8 . 1 1 35 35 ASN H H 35 8.908 8.908 8.671 0.237 19547 1999 1 8 . 1 1 36 36 ALA N N 36 125.590 125.590 126.728 -1.138 19547 2000 1 8 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.390 -0.328 19547 2001 1 8 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.346 0.003 19547 2002 1 8 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.695 -0.794 19547 2003 1 8 . 1 1 36 36 ALA H H 36 8.241 8.241 8.182 0.059 19547 2004 1 8 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.676 -0.271 19547 2005 1 8 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.022 0.874 19547 2006 1 8 . 1 1 37 37 PRO CB C 37 32.402 32.402 33.232 -0.830 19547 2007 1 8 . 1 1 38 38 LYS N N 38 120.951 120.951 120.610 0.341 19547 2008 1 8 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.148 -0.385 19547 2009 1 8 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.666 1.166 19547 2010 1 8 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.760 0.168 19547 2011 1 8 . 1 1 38 38 LYS H H 38 8.549 8.549 8.546 0.003 19547 2012 1 8 . 1 1 39 39 ASP N N 39 113.835 113.835 118.944 -5.109 19547 2013 1 8 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.478 -0.132 19547 2014 1 8 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.239 -1.170 19547 2015 1 8 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.955 -1.081 19547 2016 1 8 . 1 1 39 39 ASP H H 39 8.126 8.126 8.421 -0.295 19547 2017 1 8 . 1 1 40 40 VAL N N 40 122.591 122.591 114.337 8.254 19547 2018 1 8 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.452 -0.490 19547 2019 1 8 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.763 2.162 19547 2020 1 8 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.344 -3.499 19547 2021 1 8 . 1 1 40 40 VAL H H 40 8.002 8.002 7.422 0.580 19547 2022 1 8 . 1 1 41 41 ALA N N 41 133.626 133.626 124.777 8.849 19547 2023 1 8 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.969 -0.531 19547 2024 1 8 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.529 0.662 19547 2025 1 8 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.208 -1.158 19547 2026 1 8 . 1 1 41 41 ALA H H 41 8.884 8.884 8.227 0.657 19547 2027 1 8 . 1 1 42 42 VAL N N 42 124.906 124.906 117.818 7.088 19547 2028 1 8 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.406 -0.004 19547 2029 1 8 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.826 -1.265 19547 2030 1 8 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.288 0.323 19547 2031 1 8 . 1 1 42 42 VAL H H 42 7.812 7.812 7.708 0.104 19547 2032 1 8 . 1 1 43 43 HIS N N 43 119.082 119.082 123.532 -4.450 19547 2033 1 8 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.772 0.687 19547 2034 1 8 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.318 -1.375 19547 2035 1 8 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.222 5.158 19547 2036 1 8 . 1 1 43 43 HIS H H 43 8.652 8.652 8.342 0.310 19547 2037 1 8 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.379 -0.430 19547 2038 1 8 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.249 2.125 19547 2039 1 8 . 1 1 45 45 GLU N N 45 126.045 126.045 123.020 3.025 19547 2040 1 8 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.985 0.359 19547 2041 1 8 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.802 0.118 19547 2042 1 8 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.545 0.535 19547 2043 1 8 . 1 1 45 45 GLU H H 45 7.873 7.873 8.969 -1.096 19547 2044 1 8 . 1 1 46 46 GLU N N 46 118.418 118.418 118.050 0.368 19547 2045 1 8 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.127 0.121 19547 2046 1 8 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.788 -0.021 19547 2047 1 8 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.318 -2.093 19547 2048 1 8 . 1 1 46 46 GLU H H 46 10.810 10.810 8.499 2.311 19547 2049 1 8 . 1 1 47 47 ILE N N 47 122.170 122.170 117.319 4.851 19547 2050 1 8 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.947 -0.131 19547 2051 1 8 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.174 -0.896 19547 2052 1 8 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.452 -2.969 19547 2053 1 8 . 1 1 47 47 ILE H H 47 7.221 7.221 7.634 -0.413 19547 2054 1 8 . 1 1 48 48 TYR N N 48 122.213 122.213 122.613 -0.400 19547 2055 1 8 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.941 -0.288 19547 2056 1 8 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.054 -0.034 19547 2057 1 8 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.281 0.769 19547 2058 1 8 . 1 1 48 48 TYR H H 48 8.115 8.115 8.744 -0.629 19547 2059 1 8 . 1 1 49 49 GLN N N 49 115.426 115.426 116.391 -0.965 19547 2060 1 8 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.945 -0.099 19547 2061 1 8 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.072 0.373 19547 2062 1 8 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.542 -0.350 19547 2063 1 8 . 1 1 49 49 GLN H H 49 8.602 8.602 7.788 0.814 19547 2064 1 8 . 1 1 50 50 ARG N N 50 120.058 120.058 116.861 3.197 19547 2065 1 8 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.189 -0.199 19547 2066 1 8 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.319 1.694 19547 2067 1 8 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.063 0.230 19547 2068 1 8 . 1 1 50 50 ARG H H 50 7.171 7.171 7.632 -0.461 19547 2069 1 8 . 1 1 51 51 ILE N N 51 120.766 120.766 120.124 0.642 19547 2070 1 8 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.751 -0.122 19547 2071 1 8 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.286 1.019 19547 2072 1 8 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.099 0.844 19547 2073 1 8 . 1 1 51 51 ILE H H 51 7.893 7.893 7.121 0.772 19547 2074 1 8 . 1 1 52 52 GLN N N 52 119.013 119.013 116.783 2.230 19547 2075 1 8 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.020 -0.198 19547 2076 1 8 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.203 1.225 19547 2077 1 8 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.423 0.857 19547 2078 1 8 . 1 1 52 52 GLN H H 52 7.907 7.907 7.376 0.531 19547 2079 1 8 . 1 1 53 53 ALA N N 53 120.605 120.605 120.882 -0.277 19547 2080 1 8 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.185 0.001 19547 2081 1 8 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.793 0.364 19547 2082 1 8 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.155 -0.511 19547 2083 1 8 . 1 1 53 53 ALA H H 53 7.592 7.592 7.056 0.536 19547 2084 1 8 . 1 1 54 54 GLY N N 54 105.866 105.866 104.578 1.288 19547 2085 1 8 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.982 0.640 19547 2086 1 8 . 1 1 54 54 GLY H H 54 7.720 7.720 7.726 -0.006 19547 2087 1 8 . 1 1 55 55 LEU N N 55 120.773 120.773 116.612 4.161 19547 2088 1 8 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.980 -0.654 19547 2089 1 8 . 1 1 55 55 LEU CA C 55 55.105 55.105 54.128 0.977 19547 2090 1 8 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.764 -0.517 19547 2091 1 8 . 1 1 55 55 LEU H H 55 7.697 7.697 7.794 -0.097 19547 2092 1 8 . 1 1 56 56 THR N N 56 113.079 113.079 112.345 0.734 19547 2093 1 8 . 1 1 56 56 THR HA H 56 4.253 4.253 4.398 -0.145 19547 2094 1 8 . 1 1 56 56 THR CA C 56 61.320 61.320 61.883 -0.563 19547 2095 1 8 . 1 1 56 56 THR CB C 56 69.885 69.885 69.394 0.491 19547 2096 1 8 . 1 1 56 56 THR H H 56 7.743 7.743 8.158 -0.415 19547 2097 1 8 . 1 1 57 57 ALA N N 57 127.233 127.233 124.333 2.900 19547 2098 1 8 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.789 -0.286 19547 2099 1 8 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.262 0.307 19547 2100 1 8 . 1 1 57 57 ALA CB C 57 18.294 18.294 20.325 -2.031 19547 2101 1 8 . 1 1 57 57 ALA H H 57 8.072 8.072 7.582 0.490 19547 2102 1 8 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.385 -0.071 19547 2103 1 8 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.307 1.057 19547 2104 1 8 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.391 -0.535 19547 2105 1 9 . 1 1 2 2 LEU N N 2 125.858 125.858 127.367 -1.509 19547 2106 1 9 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.941 -0.353 19547 2107 1 9 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.474 -0.297 19547 2108 1 9 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.539 -1.156 19547 2109 1 9 . 1 1 2 2 LEU H H 2 8.415 8.415 8.583 -0.168 19547 2110 1 9 . 1 1 3 3 ILE N N 3 130.863 130.863 125.178 5.685 19547 2111 1 9 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.526 0.327 19547 2112 1 9 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.699 -0.380 19547 2113 1 9 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.648 -1.597 19547 2114 1 9 . 1 1 3 3 ILE H H 3 10.198 10.198 8.307 1.891 19547 2115 1 9 . 1 1 4 4 LEU N N 4 123.561 123.561 125.984 -2.423 19547 2116 1 9 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.683 -0.140 19547 2117 1 9 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.877 -1.470 19547 2118 1 9 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.983 1.367 19547 2119 1 9 . 1 1 4 4 LEU H H 4 8.846 8.846 8.279 0.567 19547 2120 1 9 . 1 1 5 5 THR N N 5 123.256 123.256 117.123 6.133 19547 2121 1 9 . 1 1 5 5 THR HA H 5 5.469 5.469 4.712 0.757 19547 2122 1 9 . 1 1 5 5 THR CA C 5 60.415 60.415 61.526 -1.111 19547 2123 1 9 . 1 1 5 5 THR CB C 5 69.449 69.449 69.748 -0.298 19547 2124 1 9 . 1 1 5 5 THR H H 5 9.094 9.094 8.292 0.802 19547 2125 1 9 . 1 1 6 6 ARG N N 6 123.316 123.316 122.692 0.624 19547 2126 1 9 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.007 -0.098 19547 2127 1 9 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.583 0.473 19547 2128 1 9 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.194 5.526 19547 2129 1 9 . 1 1 6 6 ARG H H 6 9.161 9.161 8.459 0.702 19547 2130 1 9 . 1 1 7 7 LYS N N 7 122.466 122.466 120.798 1.668 19547 2131 1 9 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.576 0.637 19547 2132 1 9 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.169 -1.145 19547 2133 1 9 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.526 -1.617 19547 2134 1 9 . 1 1 7 7 LYS H H 7 9.295 9.295 8.761 0.534 19547 2135 1 9 . 1 1 8 8 VAL N N 8 118.123 118.123 120.473 -2.350 19547 2136 1 9 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.949 -0.671 19547 2137 1 9 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.389 2.525 19547 2138 1 9 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.938 0.651 19547 2139 1 9 . 1 1 8 8 VAL H H 8 7.576 7.576 8.357 -0.781 19547 2140 1 9 . 1 1 9 9 GLY N N 9 116.005 116.005 114.923 1.082 19547 2141 1 9 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.824 -0.242 19547 2142 1 9 . 1 1 9 9 GLY H H 9 9.255 9.255 9.265 -0.010 19547 2143 1 9 . 1 1 10 10 GLU N N 10 119.485 119.485 119.809 -0.324 19547 2144 1 9 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.785 0.097 19547 2145 1 9 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.326 1.366 19547 2146 1 9 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.893 -0.310 19547 2147 1 9 . 1 1 10 10 GLU H H 10 8.364 8.364 7.943 0.421 19547 2148 1 9 . 1 1 11 11 SER N N 11 112.365 112.365 113.283 -0.918 19547 2149 1 9 . 1 1 11 11 SER HA H 11 5.866 5.866 5.327 0.539 19547 2150 1 9 . 1 1 11 11 SER CA C 11 57.942 57.942 57.164 0.778 19547 2151 1 9 . 1 1 11 11 SER CB C 11 67.035 67.035 66.101 0.934 19547 2152 1 9 . 1 1 11 11 SER H H 11 8.620 8.620 8.367 0.253 19547 2153 1 9 . 1 1 12 12 ILE N N 12 124.398 124.398 120.366 4.032 19547 2154 1 9 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.504 -0.162 19547 2155 1 9 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.376 0.523 19547 2156 1 9 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.397 0.395 19547 2157 1 9 . 1 1 12 12 ILE H H 12 9.260 9.260 8.948 0.312 19547 2158 1 9 . 1 1 13 13 ASN N N 13 126.218 126.218 120.889 5.329 19547 2159 1 9 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.124 -0.100 19547 2160 1 9 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.473 0.846 19547 2161 1 9 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.795 -0.333 19547 2162 1 9 . 1 1 13 13 ASN H H 13 9.364 9.364 8.505 0.859 19547 2163 1 9 . 1 1 14 14 ILE N N 14 123.971 123.971 121.563 2.408 19547 2164 1 9 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.449 0.007 19547 2165 1 9 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.719 -0.148 19547 2166 1 9 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.233 -2.709 19547 2167 1 9 . 1 1 14 14 ILE H H 14 8.451 8.451 8.566 -0.115 19547 2168 1 9 . 1 1 15 15 GLY N N 15 115.306 115.306 114.231 1.075 19547 2169 1 9 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.092 -0.032 19547 2170 1 9 . 1 1 15 15 GLY H H 15 9.075 9.075 8.586 0.489 19547 2171 1 9 . 1 1 16 16 ASP N N 16 120.409 120.409 120.981 -0.572 19547 2172 1 9 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.703 0.206 19547 2173 1 9 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.062 1.295 19547 2174 1 9 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.310 0.960 19547 2175 1 9 . 1 1 16 16 ASP H H 16 8.713 8.713 8.333 0.380 19547 2176 1 9 . 1 1 17 17 ASP N N 17 115.565 115.565 120.028 -4.463 19547 2177 1 9 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.901 -0.172 19547 2178 1 9 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.666 -0.543 19547 2179 1 9 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.711 -1.192 19547 2180 1 9 . 1 1 17 17 ASP H H 17 8.149 8.149 7.854 0.295 19547 2181 1 9 . 1 1 18 18 ILE N N 18 118.660 118.660 119.575 -0.915 19547 2182 1 9 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.109 0.069 19547 2183 1 9 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.448 -0.294 19547 2184 1 9 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.385 -2.772 19547 2185 1 9 . 1 1 18 18 ILE H H 18 7.181 7.181 7.689 -0.508 19547 2186 1 9 . 1 1 19 19 THR N N 19 122.893 122.893 120.910 1.983 19547 2187 1 9 . 1 1 19 19 THR HA H 19 5.104 5.104 5.028 0.076 19547 2188 1 9 . 1 1 19 19 THR CA C 19 60.949 60.949 61.648 -0.699 19547 2189 1 9 . 1 1 19 19 THR CB C 19 71.669 71.669 72.441 -0.771 19547 2190 1 9 . 1 1 19 19 THR H H 19 8.922 8.922 8.412 0.510 19547 2191 1 9 . 1 1 20 20 ILE N N 20 123.852 123.852 121.667 2.185 19547 2192 1 9 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.963 -0.122 19547 2193 1 9 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.210 -0.280 19547 2194 1 9 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.097 -1.797 19547 2195 1 9 . 1 1 20 20 ILE H H 20 8.930 8.930 9.073 -0.143 19547 2196 1 9 . 1 1 21 21 THR N N 21 123.855 123.855 120.230 3.625 19547 2197 1 9 . 1 1 21 21 THR HA H 21 4.821 4.821 4.916 -0.095 19547 2198 1 9 . 1 1 21 21 THR CA C 21 61.436 61.436 61.672 -0.236 19547 2199 1 9 . 1 1 21 21 THR CB C 21 71.939 71.939 71.846 0.093 19547 2200 1 9 . 1 1 21 21 THR H H 21 9.372 9.372 8.740 0.632 19547 2201 1 9 . 1 1 22 22 ILE N N 22 125.561 125.561 128.466 -2.905 19547 2202 1 9 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.358 -0.266 19547 2203 1 9 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.855 0.248 19547 2204 1 9 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.673 -3.821 19547 2205 1 9 . 1 1 22 22 ILE H H 22 8.107 8.107 8.723 -0.616 19547 2206 1 9 . 1 1 23 23 LEU N N 23 129.208 129.208 129.655 -0.447 19547 2207 1 9 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.226 0.041 19547 2208 1 9 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.731 -0.241 19547 2209 1 9 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.805 0.428 19547 2210 1 9 . 1 1 23 23 LEU H H 23 8.910 8.910 8.223 0.687 19547 2211 1 9 . 1 1 24 24 GLY N N 24 104.396 104.396 104.493 -0.097 19547 2212 1 9 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.853 1.115 19547 2213 1 9 . 1 1 24 24 GLY H H 24 7.493 7.493 7.619 -0.126 19547 2214 1 9 . 1 1 25 25 VAL N N 25 120.463 120.463 116.094 4.369 19547 2215 1 9 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.617 0.004 19547 2216 1 9 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.349 2.174 19547 2217 1 9 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.365 0.368 19547 2218 1 9 . 1 1 25 25 VAL H H 25 8.406 8.406 8.116 0.290 19547 2219 1 9 . 1 1 26 26 SER N N 26 121.835 121.835 117.014 4.821 19547 2220 1 9 . 1 1 26 26 SER HA H 26 4.612 4.612 4.729 -0.117 19547 2221 1 9 . 1 1 26 26 SER CA C 26 56.564 56.564 58.267 -1.703 19547 2222 1 9 . 1 1 26 26 SER CB C 26 63.858 63.858 63.562 0.296 19547 2223 1 9 . 1 1 26 26 SER H H 26 8.545 8.545 8.657 -0.112 19547 2224 1 9 . 1 1 27 27 GLY N N 27 118.379 118.379 111.895 6.484 19547 2225 1 9 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.562 1.865 19547 2226 1 9 . 1 1 27 27 GLY H H 27 8.714 8.714 8.594 0.120 19547 2227 1 9 . 1 1 28 28 GLN N N 28 124.776 124.776 123.110 1.666 19547 2228 1 9 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.515 -0.226 19547 2229 1 9 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.334 -0.335 19547 2230 1 9 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.746 0.198 19547 2231 1 9 . 1 1 28 28 GLN H H 28 9.208 9.208 8.594 0.614 19547 2232 1 9 . 1 1 29 29 GLN N N 29 118.507 118.507 119.914 -1.407 19547 2233 1 9 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.447 0.125 19547 2234 1 9 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.211 1.175 19547 2235 1 9 . 1 1 29 29 GLN H H 29 8.423 8.423 7.917 0.506 19547 2236 1 9 . 1 1 30 30 VAL N N 30 126.854 126.854 119.311 7.543 19547 2237 1 9 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.341 0.215 19547 2238 1 9 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.434 -0.823 19547 2239 1 9 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.209 -0.916 19547 2240 1 9 . 1 1 30 30 VAL H H 30 9.304 9.304 8.327 0.977 19547 2241 1 9 . 1 1 31 31 ARG N N 31 127.878 127.878 125.200 2.678 19547 2242 1 9 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.706 -0.097 19547 2243 1 9 . 1 1 31 31 ARG CA C 31 55.568 55.568 55.021 0.547 19547 2244 1 9 . 1 1 31 31 ARG CB C 31 31.531 31.531 32.853 -1.322 19547 2245 1 9 . 1 1 31 31 ARG H H 31 8.683 8.683 9.033 -0.350 19547 2246 1 9 . 1 1 32 32 ILE N N 32 127.071 127.071 123.542 3.529 19547 2247 1 9 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.427 -1.772 19547 2248 1 9 . 1 1 32 32 ILE H H 32 8.958 8.958 8.537 0.421 19547 2249 1 9 . 1 1 33 33 GLY N N 33 112.801 112.801 112.899 -0.098 19547 2250 1 9 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.604 0.971 19547 2251 1 9 . 1 1 33 33 GLY H H 33 9.114 9.114 8.990 0.124 19547 2252 1 9 . 1 1 34 34 ILE N N 34 125.117 125.117 118.932 6.185 19547 2253 1 9 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.766 0.037 19547 2254 1 9 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.268 0.525 19547 2255 1 9 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.299 -1.200 19547 2256 1 9 . 1 1 34 34 ILE H H 34 9.566 9.566 8.116 1.450 19547 2257 1 9 . 1 1 35 35 ASN N N 35 129.274 129.274 123.825 5.449 19547 2258 1 9 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.939 0.140 19547 2259 1 9 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.608 -0.422 19547 2260 1 9 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.908 0.408 19547 2261 1 9 . 1 1 35 35 ASN H H 35 8.908 8.908 8.628 0.280 19547 2262 1 9 . 1 1 36 36 ALA N N 36 125.590 125.590 127.121 -1.531 19547 2263 1 9 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.310 -0.248 19547 2264 1 9 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.381 -0.032 19547 2265 1 9 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.022 -1.121 19547 2266 1 9 . 1 1 36 36 ALA H H 36 8.241 8.241 8.046 0.195 19547 2267 1 9 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.588 -0.183 19547 2268 1 9 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.085 0.811 19547 2269 1 9 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.495 -0.093 19547 2270 1 9 . 1 1 38 38 LYS N N 38 120.951 120.951 120.745 0.206 19547 2271 1 9 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.136 -0.373 19547 2272 1 9 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.675 1.157 19547 2273 1 9 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.723 0.205 19547 2274 1 9 . 1 1 38 38 LYS H H 38 8.549 8.549 8.557 -0.008 19547 2275 1 9 . 1 1 39 39 ASP N N 39 113.835 113.835 118.864 -5.029 19547 2276 1 9 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.474 -0.128 19547 2277 1 9 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.254 -1.185 19547 2278 1 9 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.966 -1.092 19547 2279 1 9 . 1 1 39 39 ASP H H 39 8.126 8.126 8.413 -0.287 19547 2280 1 9 . 1 1 40 40 VAL N N 40 122.591 122.591 114.399 8.192 19547 2281 1 9 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.443 -0.481 19547 2282 1 9 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.844 2.081 19547 2283 1 9 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.319 -3.474 19547 2284 1 9 . 1 1 40 40 VAL H H 40 8.002 8.002 7.438 0.564 19547 2285 1 9 . 1 1 41 41 ALA N N 41 133.626 133.626 125.948 7.678 19547 2286 1 9 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.929 -0.491 19547 2287 1 9 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.417 0.774 19547 2288 1 9 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.309 -1.259 19547 2289 1 9 . 1 1 41 41 ALA H H 41 8.884 8.884 8.231 0.653 19547 2290 1 9 . 1 1 42 42 VAL N N 42 124.906 124.906 117.884 7.022 19547 2291 1 9 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.385 0.017 19547 2292 1 9 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.717 -1.156 19547 2293 1 9 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.714 0.897 19547 2294 1 9 . 1 1 42 42 VAL H H 42 7.812 7.812 7.763 0.049 19547 2295 1 9 . 1 1 43 43 HIS N N 43 119.082 119.082 123.674 -4.592 19547 2296 1 9 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.771 0.688 19547 2297 1 9 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.374 -1.431 19547 2298 1 9 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.096 5.284 19547 2299 1 9 . 1 1 43 43 HIS H H 43 8.652 8.652 8.308 0.344 19547 2300 1 9 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.346 -0.397 19547 2301 1 9 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.371 2.003 19547 2302 1 9 . 1 1 45 45 GLU N N 45 126.045 126.045 123.208 2.837 19547 2303 1 9 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.005 0.339 19547 2304 1 9 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.869 0.051 19547 2305 1 9 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.508 0.572 19547 2306 1 9 . 1 1 45 45 GLU H H 45 7.873 7.873 9.034 -1.161 19547 2307 1 9 . 1 1 46 46 GLU N N 46 118.418 118.418 118.055 0.363 19547 2308 1 9 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.186 0.062 19547 2309 1 9 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.569 0.198 19547 2310 1 9 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.130 -1.905 19547 2311 1 9 . 1 1 46 46 GLU H H 46 10.810 10.810 8.738 2.072 19547 2312 1 9 . 1 1 47 47 ILE N N 47 122.170 122.170 119.488 2.682 19547 2313 1 9 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.988 -0.172 19547 2314 1 9 . 1 1 47 47 ILE CA C 47 61.278 61.278 61.786 -0.508 19547 2315 1 9 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.446 -2.963 19547 2316 1 9 . 1 1 47 47 ILE H H 47 7.221 7.221 7.670 -0.449 19547 2317 1 9 . 1 1 48 48 TYR N N 48 122.213 122.213 122.581 -0.368 19547 2318 1 9 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.939 -0.286 19547 2319 1 9 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.897 0.123 19547 2320 1 9 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.314 0.736 19547 2321 1 9 . 1 1 48 48 TYR H H 48 8.115 8.115 8.783 -0.668 19547 2322 1 9 . 1 1 49 49 GLN N N 49 115.426 115.426 116.516 -1.090 19547 2323 1 9 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.925 -0.079 19547 2324 1 9 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.160 0.285 19547 2325 1 9 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.512 -0.320 19547 2326 1 9 . 1 1 49 49 GLN H H 49 8.602 8.602 7.784 0.818 19547 2327 1 9 . 1 1 50 50 ARG N N 50 120.058 120.058 116.695 3.363 19547 2328 1 9 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.189 -0.199 19547 2329 1 9 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.369 1.644 19547 2330 1 9 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.057 0.236 19547 2331 1 9 . 1 1 50 50 ARG H H 50 7.171 7.171 7.637 -0.466 19547 2332 1 9 . 1 1 51 51 ILE N N 51 120.766 120.766 119.721 1.045 19547 2333 1 9 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.752 -0.123 19547 2334 1 9 . 1 1 51 51 ILE CA C 51 64.305 64.305 62.990 1.315 19547 2335 1 9 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.167 0.776 19547 2336 1 9 . 1 1 51 51 ILE H H 51 7.893 7.893 7.349 0.544 19547 2337 1 9 . 1 1 52 52 GLN N N 52 119.013 119.013 116.194 2.819 19547 2338 1 9 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.081 -0.259 19547 2339 1 9 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.425 2.003 19547 2340 1 9 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.465 0.815 19547 2341 1 9 . 1 1 52 52 GLN H H 52 7.907 7.907 7.384 0.523 19547 2342 1 9 . 1 1 53 53 ALA N N 53 120.605 120.605 121.261 -0.656 19547 2343 1 9 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.167 0.019 19547 2344 1 9 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.856 0.301 19547 2345 1 9 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.157 -0.513 19547 2346 1 9 . 1 1 53 53 ALA H H 53 7.592 7.592 7.057 0.535 19547 2347 1 9 . 1 1 54 54 GLY N N 54 105.866 105.866 105.059 0.807 19547 2348 1 9 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.885 0.737 19547 2349 1 9 . 1 1 54 54 GLY H H 54 7.720 7.720 7.574 0.146 19547 2350 1 9 . 1 1 55 55 LEU N N 55 120.773 120.773 114.843 5.930 19547 2351 1 9 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.780 -0.454 19547 2352 1 9 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.291 -0.186 19547 2353 1 9 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.120 0.127 19547 2354 1 9 . 1 1 55 55 LEU H H 55 7.697 7.697 7.441 0.256 19547 2355 1 9 . 1 1 56 56 THR N N 56 113.079 113.079 111.549 1.530 19547 2356 1 9 . 1 1 56 56 THR HA H 56 4.253 4.253 4.137 0.116 19547 2357 1 9 . 1 1 56 56 THR CA C 56 61.320 61.320 63.909 -2.589 19547 2358 1 9 . 1 1 56 56 THR CB C 56 69.885 69.885 68.838 1.047 19547 2359 1 9 . 1 1 56 56 THR H H 56 7.743 7.743 8.051 -0.308 19547 2360 1 9 . 1 1 57 57 ALA N N 57 127.233 127.233 122.533 4.700 19547 2361 1 9 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.560 -0.057 19547 2362 1 9 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.273 0.296 19547 2363 1 9 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.236 -0.942 19547 2364 1 9 . 1 1 57 57 ALA H H 57 8.072 8.072 7.632 0.440 19547 2365 1 9 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.361 -0.047 19547 2366 1 9 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.262 1.102 19547 2367 1 9 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.389 -0.533 19547 2368 1 10 . 1 1 2 2 LEU N N 2 125.858 125.858 127.012 -1.154 19547 2369 1 10 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.940 -0.352 19547 2370 1 10 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.502 -0.325 19547 2371 1 10 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.525 -1.142 19547 2372 1 10 . 1 1 2 2 LEU H H 2 8.415 8.415 8.574 -0.159 19547 2373 1 10 . 1 1 3 3 ILE N N 3 130.863 130.863 124.874 5.989 19547 2374 1 10 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.535 0.318 19547 2375 1 10 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.662 -0.343 19547 2376 1 10 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.806 -1.755 19547 2377 1 10 . 1 1 3 3 ILE H H 3 10.198 10.198 8.296 1.902 19547 2378 1 10 . 1 1 4 4 LEU N N 4 123.561 123.561 124.761 -1.200 19547 2379 1 10 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.682 -0.139 19547 2380 1 10 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.991 -1.584 19547 2381 1 10 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.822 1.528 19547 2382 1 10 . 1 1 4 4 LEU H H 4 8.846 8.846 8.371 0.475 19547 2383 1 10 . 1 1 5 5 THR N N 5 123.256 123.256 117.911 5.345 19547 2384 1 10 . 1 1 5 5 THR HA H 5 5.469 5.469 4.752 0.717 19547 2385 1 10 . 1 1 5 5 THR CA C 5 60.415 60.415 61.708 -1.293 19547 2386 1 10 . 1 1 5 5 THR CB C 5 69.449 69.449 69.430 0.019 19547 2387 1 10 . 1 1 5 5 THR H H 5 9.094 9.094 8.294 0.800 19547 2388 1 10 . 1 1 6 6 ARG N N 6 123.316 123.316 123.006 0.310 19547 2389 1 10 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.877 0.032 19547 2390 1 10 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.885 0.171 19547 2391 1 10 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.412 5.308 19547 2392 1 10 . 1 1 6 6 ARG H H 6 9.161 9.161 8.482 0.679 19547 2393 1 10 . 1 1 7 7 LYS N N 7 122.466 122.466 119.567 2.899 19547 2394 1 10 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.639 0.574 19547 2395 1 10 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.154 -1.130 19547 2396 1 10 . 1 1 7 7 LYS CB C 7 33.909 33.909 34.893 -0.984 19547 2397 1 10 . 1 1 7 7 LYS H H 7 9.295 9.295 8.646 0.649 19547 2398 1 10 . 1 1 8 8 VAL N N 8 118.123 118.123 118.974 -0.851 19547 2399 1 10 . 1 1 8 8 VAL HA H 8 3.278 3.278 4.073 -0.795 19547 2400 1 10 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.380 2.534 19547 2401 1 10 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.781 0.808 19547 2402 1 10 . 1 1 8 8 VAL H H 8 7.576 7.576 8.411 -0.835 19547 2403 1 10 . 1 1 9 9 GLY N N 9 116.005 116.005 115.327 0.678 19547 2404 1 10 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.806 -0.224 19547 2405 1 10 . 1 1 9 9 GLY H H 9 9.255 9.255 9.140 0.115 19547 2406 1 10 . 1 1 10 10 GLU N N 10 119.485 119.485 121.023 -1.538 19547 2407 1 10 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.640 0.242 19547 2408 1 10 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.639 0.053 19547 2409 1 10 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.197 1.386 19547 2410 1 10 . 1 1 10 10 GLU H H 10 8.364 8.364 8.203 0.161 19547 2411 1 10 . 1 1 11 11 SER N N 11 112.365 112.365 113.264 -0.899 19547 2412 1 10 . 1 1 11 11 SER HA H 11 5.866 5.866 5.428 0.438 19547 2413 1 10 . 1 1 11 11 SER CA C 11 57.942 57.942 57.190 0.752 19547 2414 1 10 . 1 1 11 11 SER CB C 11 67.035 67.035 66.428 0.607 19547 2415 1 10 . 1 1 11 11 SER H H 11 8.620 8.620 8.366 0.254 19547 2416 1 10 . 1 1 12 12 ILE N N 12 124.398 124.398 119.912 4.486 19547 2417 1 10 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.490 -0.148 19547 2418 1 10 . 1 1 12 12 ILE CA C 12 59.899 59.899 60.094 -0.195 19547 2419 1 10 . 1 1 12 12 ILE CB C 12 42.791 42.791 43.007 -0.216 19547 2420 1 10 . 1 1 12 12 ILE H H 12 9.260 9.260 8.935 0.325 19547 2421 1 10 . 1 1 13 13 ASN N N 13 126.218 126.218 120.456 5.762 19547 2422 1 10 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.054 -0.030 19547 2423 1 10 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.509 0.810 19547 2424 1 10 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.582 -0.120 19547 2425 1 10 . 1 1 13 13 ASN H H 13 9.364 9.364 8.485 0.879 19547 2426 1 10 . 1 1 14 14 ILE N N 14 123.971 123.971 120.983 2.988 19547 2427 1 10 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.450 0.006 19547 2428 1 10 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.742 -0.171 19547 2429 1 10 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.423 -2.899 19547 2430 1 10 . 1 1 14 14 ILE H H 14 8.451 8.451 8.497 -0.046 19547 2431 1 10 . 1 1 15 15 GLY N N 15 115.306 115.306 113.956 1.350 19547 2432 1 10 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.050 0.010 19547 2433 1 10 . 1 1 15 15 GLY H H 15 9.075 9.075 8.582 0.493 19547 2434 1 10 . 1 1 16 16 ASP N N 16 120.409 120.409 120.963 -0.554 19547 2435 1 10 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.702 0.207 19547 2436 1 10 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.080 1.277 19547 2437 1 10 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.314 0.956 19547 2438 1 10 . 1 1 16 16 ASP H H 16 8.713 8.713 8.350 0.363 19547 2439 1 10 . 1 1 17 17 ASP N N 17 115.565 115.565 119.978 -4.413 19547 2440 1 10 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.896 -0.167 19547 2441 1 10 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.655 -0.532 19547 2442 1 10 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.699 -1.181 19547 2443 1 10 . 1 1 17 17 ASP H H 17 8.149 8.149 7.895 0.254 19547 2444 1 10 . 1 1 18 18 ILE N N 18 118.660 118.660 119.572 -0.912 19547 2445 1 10 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.041 0.137 19547 2446 1 10 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.449 -0.295 19547 2447 1 10 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.384 -2.772 19547 2448 1 10 . 1 1 18 18 ILE H H 18 7.181 7.181 7.683 -0.502 19547 2449 1 10 . 1 1 19 19 THR N N 19 122.893 122.893 120.931 1.962 19547 2450 1 10 . 1 1 19 19 THR HA H 19 5.104 5.104 5.016 0.088 19547 2451 1 10 . 1 1 19 19 THR CA C 19 60.949 60.949 61.654 -0.705 19547 2452 1 10 . 1 1 19 19 THR CB C 19 71.669 71.669 72.435 -0.766 19547 2453 1 10 . 1 1 19 19 THR H H 19 8.922 8.922 8.654 0.268 19547 2454 1 10 . 1 1 20 20 ILE N N 20 123.852 123.852 121.963 1.889 19547 2455 1 10 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.882 -0.041 19547 2456 1 10 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.151 -0.221 19547 2457 1 10 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.012 -1.712 19547 2458 1 10 . 1 1 20 20 ILE H H 20 8.930 8.930 9.167 -0.237 19547 2459 1 10 . 1 1 21 21 THR N N 21 123.855 123.855 119.565 4.290 19547 2460 1 10 . 1 1 21 21 THR HA H 21 4.821 4.821 4.991 -0.170 19547 2461 1 10 . 1 1 21 21 THR CA C 21 61.436 61.436 61.451 -0.015 19547 2462 1 10 . 1 1 21 21 THR CB C 21 71.939 71.939 72.460 -0.521 19547 2463 1 10 . 1 1 21 21 THR H H 21 9.372 9.372 9.015 0.357 19547 2464 1 10 . 1 1 22 22 ILE N N 22 125.561 125.561 127.184 -1.623 19547 2465 1 10 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.585 -0.493 19547 2466 1 10 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.184 0.919 19547 2467 1 10 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.674 -3.822 19547 2468 1 10 . 1 1 22 22 ILE H H 22 8.107 8.107 8.315 -0.208 19547 2469 1 10 . 1 1 23 23 LEU N N 23 129.208 129.208 129.215 -0.007 19547 2470 1 10 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.174 0.093 19547 2471 1 10 . 1 1 23 23 LEU CA C 23 55.490 55.490 56.058 -0.568 19547 2472 1 10 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.797 0.437 19547 2473 1 10 . 1 1 23 23 LEU H H 23 8.910 8.910 8.221 0.689 19547 2474 1 10 . 1 1 24 24 GLY N N 24 104.396 104.396 104.467 -0.071 19547 2475 1 10 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.711 1.257 19547 2476 1 10 . 1 1 24 24 GLY H H 24 7.493 7.493 7.562 -0.069 19547 2477 1 10 . 1 1 25 25 VAL N N 25 120.463 120.463 115.752 4.711 19547 2478 1 10 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.751 -0.130 19547 2479 1 10 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.688 2.835 19547 2480 1 10 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.193 0.540 19547 2481 1 10 . 1 1 25 25 VAL H H 25 8.406 8.406 8.302 0.104 19547 2482 1 10 . 1 1 26 26 SER N N 26 121.835 121.835 117.501 4.334 19547 2483 1 10 . 1 1 26 26 SER HA H 26 4.612 4.612 4.664 -0.052 19547 2484 1 10 . 1 1 26 26 SER CA C 26 56.564 56.564 58.076 -1.512 19547 2485 1 10 . 1 1 26 26 SER CB C 26 63.858 63.858 63.398 0.460 19547 2486 1 10 . 1 1 26 26 SER H H 26 8.545 8.545 8.924 -0.379 19547 2487 1 10 . 1 1 27 27 GLY N N 27 118.379 118.379 110.749 7.630 19547 2488 1 10 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.973 2.454 19547 2489 1 10 . 1 1 27 27 GLY H H 27 8.714 8.714 8.350 0.364 19547 2490 1 10 . 1 1 28 28 GLN N N 28 124.776 124.776 122.243 2.533 19547 2491 1 10 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.398 -0.109 19547 2492 1 10 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.053 -1.054 19547 2493 1 10 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.900 1.044 19547 2494 1 10 . 1 1 28 28 GLN H H 28 9.208 9.208 8.450 0.758 19547 2495 1 10 . 1 1 29 29 GLN N N 29 118.507 118.507 119.592 -1.085 19547 2496 1 10 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.375 0.197 19547 2497 1 10 . 1 1 29 29 GLN CB C 29 31.386 31.386 29.788 1.598 19547 2498 1 10 . 1 1 29 29 GLN H H 29 8.423 8.423 8.003 0.420 19547 2499 1 10 . 1 1 30 30 VAL N N 30 126.854 126.854 122.371 4.483 19547 2500 1 10 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.363 0.193 19547 2501 1 10 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.571 -0.960 19547 2502 1 10 . 1 1 30 30 VAL CB C 30 34.293 34.293 34.846 -0.553 19547 2503 1 10 . 1 1 30 30 VAL H H 30 9.304 9.304 8.497 0.807 19547 2504 1 10 . 1 1 31 31 ARG N N 31 127.878 127.878 127.093 0.785 19547 2505 1 10 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.618 -0.009 19547 2506 1 10 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.624 0.944 19547 2507 1 10 . 1 1 31 31 ARG CB C 31 31.531 31.531 30.386 1.145 19547 2508 1 10 . 1 1 31 31 ARG H H 31 8.683 8.683 8.712 -0.029 19547 2509 1 10 . 1 1 32 32 ILE N N 32 127.071 127.071 123.862 3.209 19547 2510 1 10 . 1 1 32 32 ILE CB C 32 40.655 40.655 41.863 -1.208 19547 2511 1 10 . 1 1 32 32 ILE H H 32 8.958 8.958 8.540 0.418 19547 2512 1 10 . 1 1 33 33 GLY N N 33 112.801 112.801 113.681 -0.880 19547 2513 1 10 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.655 0.920 19547 2514 1 10 . 1 1 33 33 GLY H H 33 9.114 9.114 8.940 0.174 19547 2515 1 10 . 1 1 34 34 ILE N N 34 125.117 125.117 119.361 5.756 19547 2516 1 10 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.679 0.124 19547 2517 1 10 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.331 0.462 19547 2518 1 10 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.419 -1.320 19547 2519 1 10 . 1 1 34 34 ILE H H 34 9.566 9.566 8.147 1.419 19547 2520 1 10 . 1 1 35 35 ASN N N 35 129.274 129.274 123.778 5.496 19547 2521 1 10 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.950 0.129 19547 2522 1 10 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.521 -0.335 19547 2523 1 10 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.890 0.426 19547 2524 1 10 . 1 1 35 35 ASN H H 35 8.908 8.908 8.832 0.076 19547 2525 1 10 . 1 1 36 36 ALA N N 36 125.590 125.590 127.039 -1.449 19547 2526 1 10 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.269 -0.207 19547 2527 1 10 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.368 -0.019 19547 2528 1 10 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.997 -1.096 19547 2529 1 10 . 1 1 36 36 ALA H H 36 8.241 8.241 8.033 0.208 19547 2530 1 10 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.516 -0.111 19547 2531 1 10 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.422 0.474 19547 2532 1 10 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.721 -0.319 19547 2533 1 10 . 1 1 38 38 LYS N N 38 120.951 120.951 119.595 1.356 19547 2534 1 10 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.065 -0.302 19547 2535 1 10 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.741 1.091 19547 2536 1 10 . 1 1 38 38 LYS CB C 38 31.928 31.928 32.129 -0.201 19547 2537 1 10 . 1 1 38 38 LYS H H 38 8.549 8.549 8.441 0.108 19547 2538 1 10 . 1 1 39 39 ASP N N 39 113.835 113.835 118.813 -4.978 19547 2539 1 10 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.546 -0.200 19547 2540 1 10 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.354 -1.285 19547 2541 1 10 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.978 -1.104 19547 2542 1 10 . 1 1 39 39 ASP H H 39 8.126 8.126 8.178 -0.052 19547 2543 1 10 . 1 1 40 40 VAL N N 40 122.591 122.591 114.229 8.362 19547 2544 1 10 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.475 -0.513 19547 2545 1 10 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.677 2.248 19547 2546 1 10 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.614 -3.769 19547 2547 1 10 . 1 1 40 40 VAL H H 40 8.002 8.002 7.394 0.608 19547 2548 1 10 . 1 1 41 41 ALA N N 41 133.626 133.626 125.562 8.064 19547 2549 1 10 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.737 -0.299 19547 2550 1 10 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.415 0.776 19547 2551 1 10 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.876 -0.826 19547 2552 1 10 . 1 1 41 41 ALA H H 41 8.884 8.884 8.223 0.661 19547 2553 1 10 . 1 1 42 42 VAL N N 42 124.906 124.906 118.871 6.035 19547 2554 1 10 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.425 -0.023 19547 2555 1 10 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.832 -1.271 19547 2556 1 10 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.629 0.982 19547 2557 1 10 . 1 1 42 42 VAL H H 42 7.812 7.812 7.823 -0.011 19547 2558 1 10 . 1 1 43 43 HIS N N 43 119.082 119.082 124.425 -5.343 19547 2559 1 10 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.859 0.600 19547 2560 1 10 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.223 -1.280 19547 2561 1 10 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.540 4.840 19547 2562 1 10 . 1 1 43 43 HIS H H 43 8.652 8.652 8.316 0.336 19547 2563 1 10 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.502 -0.553 19547 2564 1 10 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.893 2.481 19547 2565 1 10 . 1 1 45 45 GLU N N 45 126.045 126.045 120.991 5.054 19547 2566 1 10 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.932 0.412 19547 2567 1 10 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.783 0.136 19547 2568 1 10 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.447 0.633 19547 2569 1 10 . 1 1 45 45 GLU H H 45 7.873 7.873 8.969 -1.096 19547 2570 1 10 . 1 1 46 46 GLU N N 46 118.418 118.418 118.961 -0.543 19547 2571 1 10 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.143 0.105 19547 2572 1 10 . 1 1 46 46 GLU CA C 46 58.767 58.767 59.100 -0.333 19547 2573 1 10 . 1 1 46 46 GLU CB C 46 27.225 27.225 28.833 -1.608 19547 2574 1 10 . 1 1 46 46 GLU H H 46 10.810 10.810 8.555 2.255 19547 2575 1 10 . 1 1 47 47 ILE N N 47 122.170 122.170 119.204 2.966 19547 2576 1 10 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.850 -0.034 19547 2577 1 10 . 1 1 47 47 ILE CA C 47 61.278 61.278 63.321 -2.043 19547 2578 1 10 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.039 -2.556 19547 2579 1 10 . 1 1 47 47 ILE H H 47 7.221 7.221 7.529 -0.308 19547 2580 1 10 . 1 1 48 48 TYR N N 48 122.213 122.213 122.275 -0.062 19547 2581 1 10 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.909 -0.256 19547 2582 1 10 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.009 0.011 19547 2583 1 10 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.264 0.786 19547 2584 1 10 . 1 1 48 48 TYR H H 48 8.115 8.115 8.376 -0.261 19547 2585 1 10 . 1 1 49 49 GLN N N 49 115.426 115.426 116.592 -1.166 19547 2586 1 10 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.946 -0.100 19547 2587 1 10 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.265 0.180 19547 2588 1 10 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.516 -0.324 19547 2589 1 10 . 1 1 49 49 GLN H H 49 8.602 8.602 7.860 0.742 19547 2590 1 10 . 1 1 50 50 ARG N N 50 120.058 120.058 116.348 3.710 19547 2591 1 10 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.204 -0.214 19547 2592 1 10 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.088 1.925 19547 2593 1 10 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.267 0.026 19547 2594 1 10 . 1 1 50 50 ARG H H 50 7.171 7.171 7.546 -0.375 19547 2595 1 10 . 1 1 51 51 ILE N N 51 120.766 120.766 119.166 1.600 19547 2596 1 10 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.800 -0.171 19547 2597 1 10 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.524 0.781 19547 2598 1 10 . 1 1 51 51 ILE CB C 51 37.943 37.943 38.147 -0.204 19547 2599 1 10 . 1 1 51 51 ILE H H 51 7.893 7.893 7.187 0.706 19547 2600 1 10 . 1 1 52 52 GLN N N 52 119.013 119.013 117.805 1.208 19547 2601 1 10 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.094 -0.272 19547 2602 1 10 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.907 1.520 19547 2603 1 10 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.434 0.846 19547 2604 1 10 . 1 1 52 52 GLN H H 52 7.907 7.907 7.417 0.490 19547 2605 1 10 . 1 1 53 53 ALA N N 53 120.605 120.605 120.953 -0.348 19547 2606 1 10 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.131 0.055 19547 2607 1 10 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.125 0.032 19547 2608 1 10 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.901 -0.257 19547 2609 1 10 . 1 1 53 53 ALA H H 53 7.592 7.592 7.837 -0.245 19547 2610 1 10 . 1 1 54 54 GLY N N 54 105.866 105.866 104.159 1.707 19547 2611 1 10 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.982 0.640 19547 2612 1 10 . 1 1 54 54 GLY H H 54 7.720 7.720 7.810 -0.090 19547 2613 1 10 . 1 1 55 55 LEU N N 55 120.773 120.773 115.899 4.874 19547 2614 1 10 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.752 -0.426 19547 2615 1 10 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.140 -0.035 19547 2616 1 10 . 1 1 55 55 LEU CB C 55 42.247 42.247 43.235 -0.988 19547 2617 1 10 . 1 1 55 55 LEU H H 55 7.697 7.697 7.541 0.156 19547 2618 1 10 . 1 1 56 56 THR N N 56 113.079 113.079 115.622 -2.543 19547 2619 1 10 . 1 1 56 56 THR HA H 56 4.253 4.253 3.807 0.446 19547 2620 1 10 . 1 1 56 56 THR CA C 56 61.320 61.320 63.411 -2.091 19547 2621 1 10 . 1 1 56 56 THR CB C 56 69.885 69.885 67.586 2.299 19547 2622 1 10 . 1 1 56 56 THR H H 56 7.743 7.743 8.233 -0.490 19547 2623 1 10 . 1 1 57 57 ALA N N 57 127.233 127.233 121.531 5.702 19547 2624 1 10 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.600 -0.097 19547 2625 1 10 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.926 -0.357 19547 2626 1 10 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.555 -1.261 19547 2627 1 10 . 1 1 57 57 ALA H H 57 8.072 8.072 8.018 0.054 19547 2628 1 10 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.353 -0.039 19547 2629 1 10 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.883 0.480 19547 2630 1 10 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.480 -0.624 19547 2631 1 11 . 1 1 2 2 LEU N N 2 125.858 125.858 126.128 -0.270 19547 2632 1 11 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.821 -0.233 19547 2633 1 11 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.134 -0.957 19547 2634 1 11 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.903 -0.520 19547 2635 1 11 . 1 1 2 2 LEU H H 2 8.415 8.415 8.465 -0.050 19547 2636 1 11 . 1 1 3 3 ILE N N 3 130.863 130.863 123.804 7.059 19547 2637 1 11 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.442 0.411 19547 2638 1 11 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.897 -0.578 19547 2639 1 11 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.238 -1.187 19547 2640 1 11 . 1 1 3 3 ILE H H 3 10.198 10.198 8.293 1.905 19547 2641 1 11 . 1 1 4 4 LEU N N 4 123.561 123.561 125.910 -2.349 19547 2642 1 11 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.651 -0.108 19547 2643 1 11 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.879 -1.472 19547 2644 1 11 . 1 1 4 4 LEU CB C 4 46.350 46.350 45.001 1.349 19547 2645 1 11 . 1 1 4 4 LEU H H 4 8.846 8.846 8.197 0.649 19547 2646 1 11 . 1 1 5 5 THR N N 5 123.256 123.256 117.333 5.923 19547 2647 1 11 . 1 1 5 5 THR HA H 5 5.469 5.469 4.737 0.732 19547 2648 1 11 . 1 1 5 5 THR CA C 5 60.415 60.415 61.558 -1.143 19547 2649 1 11 . 1 1 5 5 THR CB C 5 69.449 69.449 69.746 -0.297 19547 2650 1 11 . 1 1 5 5 THR H H 5 9.094 9.094 8.331 0.763 19547 2651 1 11 . 1 1 6 6 ARG N N 6 123.316 123.316 123.335 -0.019 19547 2652 1 11 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.784 0.125 19547 2653 1 11 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.923 0.133 19547 2654 1 11 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.193 5.527 19547 2655 1 11 . 1 1 6 6 ARG H H 6 9.161 9.161 8.541 0.620 19547 2656 1 11 . 1 1 7 7 LYS N N 7 122.466 122.466 120.812 1.654 19547 2657 1 11 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.598 0.615 19547 2658 1 11 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.113 -1.089 19547 2659 1 11 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.672 -1.763 19547 2660 1 11 . 1 1 7 7 LYS H H 7 9.295 9.295 8.743 0.552 19547 2661 1 11 . 1 1 8 8 VAL N N 8 118.123 118.123 120.747 -2.624 19547 2662 1 11 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.741 -0.463 19547 2663 1 11 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.629 2.285 19547 2664 1 11 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.730 0.859 19547 2665 1 11 . 1 1 8 8 VAL H H 8 7.576 7.576 8.466 -0.890 19547 2666 1 11 . 1 1 9 9 GLY N N 9 116.005 116.005 115.409 0.596 19547 2667 1 11 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.768 -0.186 19547 2668 1 11 . 1 1 9 9 GLY H H 9 9.255 9.255 9.056 0.199 19547 2669 1 11 . 1 1 10 10 GLU N N 10 119.485 119.485 121.458 -1.973 19547 2670 1 11 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.533 0.349 19547 2671 1 11 . 1 1 10 10 GLU CA C 10 55.692 55.692 56.394 -0.702 19547 2672 1 11 . 1 1 10 10 GLU CB C 10 32.583 32.583 30.919 1.664 19547 2673 1 11 . 1 1 10 10 GLU H H 10 8.364 8.364 8.092 0.272 19547 2674 1 11 . 1 1 11 11 SER N N 11 112.365 112.365 113.443 -1.078 19547 2675 1 11 . 1 1 11 11 SER HA H 11 5.866 5.866 5.444 0.422 19547 2676 1 11 . 1 1 11 11 SER CA C 11 57.942 57.942 56.887 1.055 19547 2677 1 11 . 1 1 11 11 SER CB C 11 67.035 67.035 66.655 0.380 19547 2678 1 11 . 1 1 11 11 SER H H 11 8.620 8.620 8.386 0.234 19547 2679 1 11 . 1 1 12 12 ILE N N 12 124.398 124.398 120.915 3.483 19547 2680 1 11 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.407 -0.065 19547 2681 1 11 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.655 0.244 19547 2682 1 11 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.581 0.210 19547 2683 1 11 . 1 1 12 12 ILE H H 12 9.260 9.260 8.966 0.294 19547 2684 1 11 . 1 1 13 13 ASN N N 13 126.218 126.218 121.148 5.070 19547 2685 1 11 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.137 -0.113 19547 2686 1 11 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.434 0.885 19547 2687 1 11 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.338 0.124 19547 2688 1 11 . 1 1 13 13 ASN H H 13 9.364 9.364 8.515 0.849 19547 2689 1 11 . 1 1 14 14 ILE N N 14 123.971 123.971 122.254 1.717 19547 2690 1 11 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.430 0.026 19547 2691 1 11 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.696 -0.125 19547 2692 1 11 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.045 -2.521 19547 2693 1 11 . 1 1 14 14 ILE H H 14 8.451 8.451 8.488 -0.037 19547 2694 1 11 . 1 1 15 15 GLY N N 15 115.306 115.306 114.426 0.880 19547 2695 1 11 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.032 0.028 19547 2696 1 11 . 1 1 15 15 GLY H H 15 9.075 9.075 8.574 0.501 19547 2697 1 11 . 1 1 16 16 ASP N N 16 120.409 120.409 120.978 -0.569 19547 2698 1 11 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.701 0.208 19547 2699 1 11 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.073 1.284 19547 2700 1 11 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.319 0.951 19547 2701 1 11 . 1 1 16 16 ASP H H 16 8.713 8.713 8.341 0.372 19547 2702 1 11 . 1 1 17 17 ASP N N 17 115.565 115.565 120.016 -4.451 19547 2703 1 11 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.898 -0.169 19547 2704 1 11 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.643 -0.520 19547 2705 1 11 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.694 -1.176 19547 2706 1 11 . 1 1 17 17 ASP H H 17 8.149 8.149 7.861 0.288 19547 2707 1 11 . 1 1 18 18 ILE N N 18 118.660 118.660 119.515 -0.855 19547 2708 1 11 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.103 0.075 19547 2709 1 11 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.391 -0.237 19547 2710 1 11 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.433 -2.821 19547 2711 1 11 . 1 1 18 18 ILE H H 18 7.181 7.181 7.663 -0.482 19547 2712 1 11 . 1 1 19 19 THR N N 19 122.893 122.893 120.806 2.087 19547 2713 1 11 . 1 1 19 19 THR HA H 19 5.104 5.104 5.133 -0.029 19547 2714 1 11 . 1 1 19 19 THR CA C 19 60.949 60.949 61.651 -0.702 19547 2715 1 11 . 1 1 19 19 THR CB C 19 71.669 71.669 72.400 -0.731 19547 2716 1 11 . 1 1 19 19 THR H H 19 8.922 8.922 8.362 0.560 19547 2717 1 11 . 1 1 20 20 ILE N N 20 123.852 123.852 122.394 1.458 19547 2718 1 11 . 1 1 20 20 ILE HA H 20 4.841 4.841 5.009 -0.168 19547 2719 1 11 . 1 1 20 20 ILE CA C 20 58.930 58.930 58.976 -0.046 19547 2720 1 11 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.834 -1.534 19547 2721 1 11 . 1 1 20 20 ILE H H 20 8.930 8.930 9.086 -0.156 19547 2722 1 11 . 1 1 21 21 THR N N 21 123.855 123.855 119.859 3.996 19547 2723 1 11 . 1 1 21 21 THR HA H 21 4.821 4.821 4.958 -0.138 19547 2724 1 11 . 1 1 21 21 THR CA C 21 61.436 61.436 61.633 -0.197 19547 2725 1 11 . 1 1 21 21 THR CB C 21 71.939 71.939 72.154 -0.215 19547 2726 1 11 . 1 1 21 21 THR H H 21 9.372 9.372 8.817 0.555 19547 2727 1 11 . 1 1 22 22 ILE N N 22 125.561 125.561 128.362 -2.801 19547 2728 1 11 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.391 -0.299 19547 2729 1 11 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.896 0.207 19547 2730 1 11 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.764 -3.912 19547 2731 1 11 . 1 1 22 22 ILE H H 22 8.107 8.107 8.420 -0.313 19547 2732 1 11 . 1 1 23 23 LEU N N 23 129.208 129.208 129.712 -0.504 19547 2733 1 11 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.218 0.049 19547 2734 1 11 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.693 -0.203 19547 2735 1 11 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.827 0.406 19547 2736 1 11 . 1 1 23 23 LEU H H 23 8.910 8.910 8.220 0.690 19547 2737 1 11 . 1 1 24 24 GLY N N 24 104.396 104.396 104.997 -0.601 19547 2738 1 11 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.824 1.144 19547 2739 1 11 . 1 1 24 24 GLY H H 24 7.493 7.493 7.587 -0.094 19547 2740 1 11 . 1 1 25 25 VAL N N 25 120.463 120.463 116.208 4.255 19547 2741 1 11 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.966 -0.345 19547 2742 1 11 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.377 3.146 19547 2743 1 11 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.511 0.222 19547 2744 1 11 . 1 1 25 25 VAL H H 25 8.406 8.406 8.147 0.259 19547 2745 1 11 . 1 1 26 26 SER N N 26 121.835 121.835 117.860 3.975 19547 2746 1 11 . 1 1 26 26 SER HA H 26 4.612 4.612 4.651 -0.039 19547 2747 1 11 . 1 1 26 26 SER CA C 26 56.564 56.564 58.084 -1.520 19547 2748 1 11 . 1 1 26 26 SER CB C 26 63.858 63.858 63.330 0.528 19547 2749 1 11 . 1 1 26 26 SER H H 26 8.545 8.545 8.576 -0.031 19547 2750 1 11 . 1 1 27 27 GLY N N 27 118.379 118.379 111.488 6.891 19547 2751 1 11 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.167 2.260 19547 2752 1 11 . 1 1 27 27 GLY H H 27 8.714 8.714 8.441 0.273 19547 2753 1 11 . 1 1 28 28 GLN N N 28 124.776 124.776 123.636 1.140 19547 2754 1 11 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.429 -0.140 19547 2755 1 11 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.781 -0.782 19547 2756 1 11 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.114 0.830 19547 2757 1 11 . 1 1 28 28 GLN H H 28 9.208 9.208 8.536 0.672 19547 2758 1 11 . 1 1 29 29 GLN N N 29 118.507 118.507 119.565 -1.058 19547 2759 1 11 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.340 0.232 19547 2760 1 11 . 1 1 29 29 GLN CB C 29 31.386 31.386 29.821 1.565 19547 2761 1 11 . 1 1 29 29 GLN H H 29 8.423 8.423 8.067 0.356 19547 2762 1 11 . 1 1 30 30 VAL N N 30 126.854 126.854 119.150 7.704 19547 2763 1 11 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.261 0.295 19547 2764 1 11 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.582 -0.971 19547 2765 1 11 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.167 -0.874 19547 2766 1 11 . 1 1 30 30 VAL H H 30 9.304 9.304 8.289 1.015 19547 2767 1 11 . 1 1 31 31 ARG N N 31 127.878 127.878 125.968 1.910 19547 2768 1 11 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.836 -0.227 19547 2769 1 11 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.792 0.776 19547 2770 1 11 . 1 1 31 31 ARG CB C 31 31.531 31.531 32.929 -1.398 19547 2771 1 11 . 1 1 31 31 ARG H H 31 8.683 8.683 9.053 -0.370 19547 2772 1 11 . 1 1 32 32 ILE N N 32 127.071 127.071 123.285 3.786 19547 2773 1 11 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.373 -1.718 19547 2774 1 11 . 1 1 32 32 ILE H H 32 8.958 8.958 8.539 0.419 19547 2775 1 11 . 1 1 33 33 GLY N N 33 112.801 112.801 112.051 0.750 19547 2776 1 11 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.730 0.845 19547 2777 1 11 . 1 1 33 33 GLY H H 33 9.114 9.114 8.965 0.149 19547 2778 1 11 . 1 1 34 34 ILE N N 34 125.117 125.117 119.316 5.801 19547 2779 1 11 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.792 0.011 19547 2780 1 11 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.227 0.566 19547 2781 1 11 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.463 -1.364 19547 2782 1 11 . 1 1 34 34 ILE H H 34 9.566 9.566 8.136 1.430 19547 2783 1 11 . 1 1 35 35 ASN N N 35 129.274 129.274 123.782 5.492 19547 2784 1 11 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.952 0.127 19547 2785 1 11 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.441 -0.255 19547 2786 1 11 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.822 0.494 19547 2787 1 11 . 1 1 35 35 ASN H H 35 8.908 8.908 8.724 0.184 19547 2788 1 11 . 1 1 36 36 ALA N N 36 125.590 125.590 127.244 -1.654 19547 2789 1 11 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.272 -0.210 19547 2790 1 11 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.389 -0.040 19547 2791 1 11 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.961 -1.060 19547 2792 1 11 . 1 1 36 36 ALA H H 36 8.241 8.241 8.038 0.203 19547 2793 1 11 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.513 -0.108 19547 2794 1 11 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.061 0.835 19547 2795 1 11 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.658 -0.257 19547 2796 1 11 . 1 1 38 38 LYS N N 38 120.951 120.951 120.928 0.023 19547 2797 1 11 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.052 -0.289 19547 2798 1 11 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.574 1.258 19547 2799 1 11 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.595 0.333 19547 2800 1 11 . 1 1 38 38 LYS H H 38 8.549 8.549 8.451 0.098 19547 2801 1 11 . 1 1 39 39 ASP N N 39 113.835 113.835 118.516 -4.681 19547 2802 1 11 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.488 -0.142 19547 2803 1 11 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.952 -0.883 19547 2804 1 11 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.154 -1.280 19547 2805 1 11 . 1 1 39 39 ASP H H 39 8.126 8.126 8.186 -0.060 19547 2806 1 11 . 1 1 40 40 VAL N N 40 122.591 122.591 114.572 8.019 19547 2807 1 11 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.488 -0.526 19547 2808 1 11 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.653 2.272 19547 2809 1 11 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.478 -3.633 19547 2810 1 11 . 1 1 40 40 VAL H H 40 8.002 8.002 7.548 0.454 19547 2811 1 11 . 1 1 41 41 ALA N N 41 133.626 133.626 125.337 8.289 19547 2812 1 11 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.943 -0.505 19547 2813 1 11 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.296 0.895 19547 2814 1 11 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.834 -0.784 19547 2815 1 11 . 1 1 41 41 ALA H H 41 8.884 8.884 8.280 0.604 19547 2816 1 11 . 1 1 42 42 VAL N N 42 124.906 124.906 117.809 7.097 19547 2817 1 11 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.444 -0.042 19547 2818 1 11 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.556 -0.994 19547 2819 1 11 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.089 0.522 19547 2820 1 11 . 1 1 42 42 VAL H H 42 7.812 7.812 7.758 0.054 19547 2821 1 11 . 1 1 43 43 HIS N N 43 119.082 119.082 123.870 -4.788 19547 2822 1 11 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.826 0.633 19547 2823 1 11 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.194 -1.251 19547 2824 1 11 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.388 4.992 19547 2825 1 11 . 1 1 43 43 HIS H H 43 8.652 8.652 8.409 0.243 19547 2826 1 11 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.532 -0.583 19547 2827 1 11 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.596 2.778 19547 2828 1 11 . 1 1 45 45 GLU N N 45 126.045 126.045 121.726 4.319 19547 2829 1 11 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.012 0.332 19547 2830 1 11 . 1 1 45 45 GLU CA C 45 59.920 59.920 60.059 -0.139 19547 2831 1 11 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.354 0.727 19547 2832 1 11 . 1 1 45 45 GLU H H 45 7.873 7.873 8.987 -1.114 19547 2833 1 11 . 1 1 46 46 GLU N N 46 118.418 118.418 116.983 1.435 19547 2834 1 11 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.111 0.137 19547 2835 1 11 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.975 -0.208 19547 2836 1 11 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.270 -2.045 19547 2837 1 11 . 1 1 46 46 GLU H H 46 10.810 10.810 8.541 2.269 19547 2838 1 11 . 1 1 47 47 ILE N N 47 122.170 122.170 117.050 5.120 19547 2839 1 11 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.933 -0.117 19547 2840 1 11 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.376 -1.098 19547 2841 1 11 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.528 -3.045 19547 2842 1 11 . 1 1 47 47 ILE H H 47 7.221 7.221 7.615 -0.394 19547 2843 1 11 . 1 1 48 48 TYR N N 48 122.213 122.213 122.669 -0.456 19547 2844 1 11 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.929 -0.276 19547 2845 1 11 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.977 0.042 19547 2846 1 11 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.384 0.666 19547 2847 1 11 . 1 1 48 48 TYR H H 48 8.115 8.115 8.718 -0.603 19547 2848 1 11 . 1 1 49 49 GLN N N 49 115.426 115.426 117.699 -2.273 19547 2849 1 11 . 1 1 49 49 GLN HA H 49 3.846 3.846 4.033 -0.187 19547 2850 1 11 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.328 0.117 19547 2851 1 11 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.497 -0.305 19547 2852 1 11 . 1 1 49 49 GLN H H 49 8.602 8.602 8.066 0.536 19547 2853 1 11 . 1 1 50 50 ARG N N 50 120.058 120.058 118.914 1.144 19547 2854 1 11 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.134 -0.144 19547 2855 1 11 . 1 1 50 50 ARG CA C 50 59.013 59.013 58.538 0.475 19547 2856 1 11 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.066 0.227 19547 2857 1 11 . 1 1 50 50 ARG H H 50 7.171 7.171 7.852 -0.681 19547 2858 1 11 . 1 1 51 51 ILE N N 51 120.766 120.766 121.048 -0.282 19547 2859 1 11 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.660 -0.031 19547 2860 1 11 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.885 0.420 19547 2861 1 11 . 1 1 51 51 ILE CB C 51 37.943 37.943 36.353 1.590 19547 2862 1 11 . 1 1 51 51 ILE H H 51 7.893 7.893 6.982 0.911 19547 2863 1 11 . 1 1 52 52 GLN N N 52 119.013 119.013 115.083 3.930 19547 2864 1 11 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.145 -0.323 19547 2865 1 11 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.283 2.145 19547 2866 1 11 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.237 1.043 19547 2867 1 11 . 1 1 52 52 GLN H H 52 7.907 7.907 7.530 0.377 19547 2868 1 11 . 1 1 53 53 ALA N N 53 120.605 120.605 120.640 -0.035 19547 2869 1 11 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.326 -0.140 19547 2870 1 11 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.560 0.597 19547 2871 1 11 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.702 -1.058 19547 2872 1 11 . 1 1 53 53 ALA H H 53 7.592 7.592 7.317 0.275 19547 2873 1 11 . 1 1 54 54 GLY N N 54 105.866 105.866 105.392 0.474 19547 2874 1 11 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.953 0.669 19547 2875 1 11 . 1 1 54 54 GLY H H 54 7.720 7.720 7.425 0.295 19547 2876 1 11 . 1 1 55 55 LEU N N 55 120.773 120.773 117.682 3.091 19547 2877 1 11 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.716 -0.390 19547 2878 1 11 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.156 -0.051 19547 2879 1 11 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.978 -0.731 19547 2880 1 11 . 1 1 55 55 LEU H H 55 7.697 7.697 8.192 -0.495 19547 2881 1 11 . 1 1 56 56 THR N N 56 113.079 113.079 113.056 0.023 19547 2882 1 11 . 1 1 56 56 THR HA H 56 4.253 4.253 4.153 0.100 19547 2883 1 11 . 1 1 56 56 THR CA C 56 61.320 61.320 63.475 -2.155 19547 2884 1 11 . 1 1 56 56 THR CB C 56 69.885 69.885 68.903 0.982 19547 2885 1 11 . 1 1 56 56 THR H H 56 7.743 7.743 7.910 -0.167 19547 2886 1 11 . 1 1 57 57 ALA N N 57 127.233 127.233 122.713 4.520 19547 2887 1 11 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.558 -0.055 19547 2888 1 11 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.390 0.179 19547 2889 1 11 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.100 -0.806 19547 2890 1 11 . 1 1 57 57 ALA H H 57 8.072 8.072 7.665 0.407 19547 2891 1 11 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.429 -0.115 19547 2892 1 11 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.296 1.068 19547 2893 1 11 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.393 -0.537 19547 2894 1 12 . 1 1 2 2 LEU N N 2 125.858 125.858 126.096 -0.238 19547 2895 1 12 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.821 -0.233 19547 2896 1 12 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.099 -0.922 19547 2897 1 12 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.974 -0.591 19547 2898 1 12 . 1 1 2 2 LEU H H 2 8.415 8.415 8.472 -0.057 19547 2899 1 12 . 1 1 3 3 ILE N N 3 130.863 130.863 124.059 6.804 19547 2900 1 12 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.415 0.438 19547 2901 1 12 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.999 -0.680 19547 2902 1 12 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.091 -1.040 19547 2903 1 12 . 1 1 3 3 ILE H H 3 10.198 10.198 8.306 1.892 19547 2904 1 12 . 1 1 4 4 LEU N N 4 123.561 123.561 126.583 -3.022 19547 2905 1 12 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.697 -0.154 19547 2906 1 12 . 1 1 4 4 LEU CA C 4 52.407 52.407 54.050 -1.643 19547 2907 1 12 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.957 1.393 19547 2908 1 12 . 1 1 4 4 LEU H H 4 8.846 8.846 8.304 0.542 19547 2909 1 12 . 1 1 5 5 THR N N 5 123.256 123.256 116.934 6.322 19547 2910 1 12 . 1 1 5 5 THR HA H 5 5.469 5.469 4.690 0.779 19547 2911 1 12 . 1 1 5 5 THR CA C 5 60.415 60.415 61.378 -0.963 19547 2912 1 12 . 1 1 5 5 THR CB C 5 69.449 69.449 69.693 -0.244 19547 2913 1 12 . 1 1 5 5 THR H H 5 9.094 9.094 8.330 0.764 19547 2914 1 12 . 1 1 6 6 ARG N N 6 123.316 123.316 122.264 1.052 19547 2915 1 12 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.065 -0.156 19547 2916 1 12 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.504 0.552 19547 2917 1 12 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.242 5.478 19547 2918 1 12 . 1 1 6 6 ARG H H 6 9.161 9.161 8.409 0.752 19547 2919 1 12 . 1 1 7 7 LYS N N 7 122.466 122.466 120.607 1.859 19547 2920 1 12 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.567 0.646 19547 2921 1 12 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.232 -1.208 19547 2922 1 12 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.582 -1.673 19547 2923 1 12 . 1 1 7 7 LYS H H 7 9.295 9.295 8.636 0.659 19547 2924 1 12 . 1 1 8 8 VAL N N 8 118.123 118.123 120.392 -2.269 19547 2925 1 12 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.997 -0.719 19547 2926 1 12 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.275 2.639 19547 2927 1 12 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.950 0.639 19547 2928 1 12 . 1 1 8 8 VAL H H 8 7.576 7.576 8.366 -0.790 19547 2929 1 12 . 1 1 9 9 GLY N N 9 116.005 116.005 114.984 1.021 19547 2930 1 12 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.826 -0.244 19547 2931 1 12 . 1 1 9 9 GLY H H 9 9.255 9.255 9.104 0.151 19547 2932 1 12 . 1 1 10 10 GLU N N 10 119.485 119.485 119.900 -0.415 19547 2933 1 12 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.788 0.094 19547 2934 1 12 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.404 1.288 19547 2935 1 12 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.781 -0.198 19547 2936 1 12 . 1 1 10 10 GLU H H 10 8.364 8.364 7.949 0.415 19547 2937 1 12 . 1 1 11 11 SER N N 11 112.365 112.365 113.184 -0.819 19547 2938 1 12 . 1 1 11 11 SER HA H 11 5.866 5.866 5.336 0.530 19547 2939 1 12 . 1 1 11 11 SER CA C 11 57.942 57.942 57.188 0.754 19547 2940 1 12 . 1 1 11 11 SER CB C 11 67.035 67.035 66.117 0.918 19547 2941 1 12 . 1 1 11 11 SER H H 11 8.620 8.620 8.368 0.252 19547 2942 1 12 . 1 1 12 12 ILE N N 12 124.398 124.398 120.383 4.015 19547 2943 1 12 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.504 -0.162 19547 2944 1 12 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.331 0.568 19547 2945 1 12 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.420 0.371 19547 2946 1 12 . 1 1 12 12 ILE H H 12 9.260 9.260 8.940 0.320 19547 2947 1 12 . 1 1 13 13 ASN N N 13 126.218 126.218 120.964 5.254 19547 2948 1 12 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.114 -0.090 19547 2949 1 12 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.453 0.866 19547 2950 1 12 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.753 -0.291 19547 2951 1 12 . 1 1 13 13 ASN H H 13 9.364 9.364 8.507 0.857 19547 2952 1 12 . 1 1 14 14 ILE N N 14 123.971 123.971 121.467 2.504 19547 2953 1 12 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.444 0.012 19547 2954 1 12 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.706 -0.136 19547 2955 1 12 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.331 -2.807 19547 2956 1 12 . 1 1 14 14 ILE H H 14 8.451 8.451 8.549 -0.098 19547 2957 1 12 . 1 1 15 15 GLY N N 15 115.306 115.306 114.051 1.255 19547 2958 1 12 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.094 -0.034 19547 2959 1 12 . 1 1 15 15 GLY H H 15 9.075 9.075 8.583 0.492 19547 2960 1 12 . 1 1 16 16 ASP N N 16 120.409 120.409 120.967 -0.558 19547 2961 1 12 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.702 0.207 19547 2962 1 12 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.077 1.280 19547 2963 1 12 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.325 0.945 19547 2964 1 12 . 1 1 16 16 ASP H H 16 8.713 8.713 8.344 0.369 19547 2965 1 12 . 1 1 17 17 ASP N N 17 115.565 115.565 119.986 -4.421 19547 2966 1 12 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.897 -0.168 19547 2967 1 12 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.651 -0.528 19547 2968 1 12 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.710 -1.192 19547 2969 1 12 . 1 1 17 17 ASP H H 17 8.149 8.149 7.860 0.289 19547 2970 1 12 . 1 1 18 18 ILE N N 18 118.660 118.660 119.759 -1.099 19547 2971 1 12 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.082 0.096 19547 2972 1 12 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.139 0.015 19547 2973 1 12 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.361 -2.749 19547 2974 1 12 . 1 1 18 18 ILE H H 18 7.181 7.181 7.768 -0.587 19547 2975 1 12 . 1 1 19 19 THR N N 19 122.893 122.893 120.711 2.182 19547 2976 1 12 . 1 1 19 19 THR HA H 19 5.104 5.104 5.075 0.029 19547 2977 1 12 . 1 1 19 19 THR CA C 19 60.949 60.949 61.416 -0.467 19547 2978 1 12 . 1 1 19 19 THR CB C 19 71.669 71.669 72.456 -0.787 19547 2979 1 12 . 1 1 19 19 THR H H 19 8.922 8.922 8.549 0.373 19547 2980 1 12 . 1 1 20 20 ILE N N 20 123.852 123.852 121.835 2.017 19547 2981 1 12 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.888 -0.047 19547 2982 1 12 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.039 -0.109 19547 2983 1 12 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.788 -1.488 19547 2984 1 12 . 1 1 20 20 ILE H H 20 8.930 8.930 9.129 -0.199 19547 2985 1 12 . 1 1 21 21 THR N N 21 123.855 123.855 119.911 3.944 19547 2986 1 12 . 1 1 21 21 THR HA H 21 4.821 4.821 4.943 -0.122 19547 2987 1 12 . 1 1 21 21 THR CA C 21 61.436 61.436 61.925 -0.489 19547 2988 1 12 . 1 1 21 21 THR CB C 21 71.939 71.939 72.254 -0.315 19547 2989 1 12 . 1 1 21 21 THR H H 21 9.372 9.372 8.881 0.491 19547 2990 1 12 . 1 1 22 22 ILE N N 22 125.561 125.561 127.008 -1.447 19547 2991 1 12 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.598 -0.506 19547 2992 1 12 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.141 0.962 19547 2993 1 12 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.962 -4.109 19547 2994 1 12 . 1 1 22 22 ILE H H 22 8.107 8.107 8.647 -0.540 19547 2995 1 12 . 1 1 23 23 LEU N N 23 129.208 129.208 129.245 -0.037 19547 2996 1 12 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.203 0.064 19547 2997 1 12 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.884 -0.394 19547 2998 1 12 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.818 0.415 19547 2999 1 12 . 1 1 23 23 LEU H H 23 8.910 8.910 8.211 0.699 19547 3000 1 12 . 1 1 24 24 GLY N N 24 104.396 104.396 104.682 -0.286 19547 3001 1 12 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.730 1.238 19547 3002 1 12 . 1 1 24 24 GLY H H 24 7.493 7.493 7.574 -0.082 19547 3003 1 12 . 1 1 25 25 VAL N N 25 120.463 120.463 114.724 5.739 19547 3004 1 12 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.594 0.027 19547 3005 1 12 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.734 1.788 19547 3006 1 12 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.013 0.720 19547 3007 1 12 . 1 1 25 25 VAL H H 25 8.406 8.406 8.132 0.274 19547 3008 1 12 . 1 1 26 26 SER N N 26 121.835 121.835 117.462 4.373 19547 3009 1 12 . 1 1 26 26 SER HA H 26 4.612 4.612 4.775 -0.163 19547 3010 1 12 . 1 1 26 26 SER CA C 26 56.564 56.564 58.353 -1.789 19547 3011 1 12 . 1 1 26 26 SER CB C 26 63.858 63.858 64.068 -0.210 19547 3012 1 12 . 1 1 26 26 SER H H 26 8.545 8.545 8.680 -0.135 19547 3013 1 12 . 1 1 27 27 GLY N N 27 118.379 118.379 111.890 6.489 19547 3014 1 12 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.574 1.853 19547 3015 1 12 . 1 1 27 27 GLY H H 27 8.714 8.714 8.610 0.104 19547 3016 1 12 . 1 1 28 28 GLN N N 28 124.776 124.776 122.974 1.802 19547 3017 1 12 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.523 -0.234 19547 3018 1 12 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.368 -0.369 19547 3019 1 12 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.716 0.228 19547 3020 1 12 . 1 1 28 28 GLN H H 28 9.208 9.208 8.590 0.618 19547 3021 1 12 . 1 1 29 29 GLN N N 29 118.507 118.507 119.892 -1.385 19547 3022 1 12 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.468 0.104 19547 3023 1 12 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.293 1.093 19547 3024 1 12 . 1 1 29 29 GLN H H 29 8.423 8.423 7.936 0.487 19547 3025 1 12 . 1 1 30 30 VAL N N 30 126.854 126.854 120.696 6.158 19547 3026 1 12 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.391 0.165 19547 3027 1 12 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.323 -0.712 19547 3028 1 12 . 1 1 30 30 VAL CB C 30 34.293 34.293 34.129 0.164 19547 3029 1 12 . 1 1 30 30 VAL H H 30 9.304 9.304 8.388 0.916 19547 3030 1 12 . 1 1 31 31 ARG N N 31 127.878 127.878 127.092 0.786 19547 3031 1 12 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.633 -0.024 19547 3032 1 12 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.303 1.265 19547 3033 1 12 . 1 1 31 31 ARG CB C 31 31.531 31.531 30.311 1.220 19547 3034 1 12 . 1 1 31 31 ARG H H 31 8.683 8.683 8.830 -0.147 19547 3035 1 12 . 1 1 32 32 ILE N N 32 127.071 127.071 123.644 3.427 19547 3036 1 12 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.275 -1.620 19547 3037 1 12 . 1 1 32 32 ILE H H 32 8.958 8.958 8.562 0.396 19547 3038 1 12 . 1 1 33 33 GLY N N 33 112.801 112.801 113.628 -0.827 19547 3039 1 12 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.567 1.008 19547 3040 1 12 . 1 1 33 33 GLY H H 33 9.114 9.114 8.939 0.175 19547 3041 1 12 . 1 1 34 34 ILE N N 34 125.117 125.117 119.181 5.936 19547 3042 1 12 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.704 0.100 19547 3043 1 12 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.330 0.464 19547 3044 1 12 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.346 -1.247 19547 3045 1 12 . 1 1 34 34 ILE H H 34 9.566 9.566 8.133 1.433 19547 3046 1 12 . 1 1 35 35 ASN N N 35 129.274 129.274 123.772 5.502 19547 3047 1 12 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.941 0.138 19547 3048 1 12 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.703 -0.517 19547 3049 1 12 . 1 1 35 35 ASN CB C 35 40.316 40.316 40.014 0.302 19547 3050 1 12 . 1 1 35 35 ASN H H 35 8.908 8.908 8.725 0.183 19547 3051 1 12 . 1 1 36 36 ALA N N 36 125.590 125.590 127.008 -1.418 19547 3052 1 12 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.273 -0.211 19547 3053 1 12 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.386 -0.037 19547 3054 1 12 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.076 -1.175 19547 3055 1 12 . 1 1 36 36 ALA H H 36 8.241 8.241 8.039 0.202 19547 3056 1 12 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.513 -0.108 19547 3057 1 12 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.069 0.827 19547 3058 1 12 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.656 -0.254 19547 3059 1 12 . 1 1 38 38 LYS N N 38 120.951 120.951 120.888 0.063 19547 3060 1 12 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.059 -0.296 19547 3061 1 12 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.550 1.282 19547 3062 1 12 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.596 0.332 19547 3063 1 12 . 1 1 38 38 LYS H H 38 8.549 8.549 8.450 0.099 19547 3064 1 12 . 1 1 39 39 ASP N N 39 113.835 113.835 118.411 -4.576 19547 3065 1 12 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.491 -0.145 19547 3066 1 12 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.873 -0.804 19547 3067 1 12 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.123 -1.249 19547 3068 1 12 . 1 1 39 39 ASP H H 39 8.126 8.126 8.242 -0.116 19547 3069 1 12 . 1 1 40 40 VAL N N 40 122.591 122.591 114.101 8.490 19547 3070 1 12 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.471 -0.509 19547 3071 1 12 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.727 2.198 19547 3072 1 12 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.674 -3.829 19547 3073 1 12 . 1 1 40 40 VAL H H 40 8.002 8.002 7.390 0.612 19547 3074 1 12 . 1 1 41 41 ALA N N 41 133.626 133.626 126.107 7.519 19547 3075 1 12 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.939 -0.501 19547 3076 1 12 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.465 0.726 19547 3077 1 12 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.035 -0.985 19547 3078 1 12 . 1 1 41 41 ALA H H 41 8.884 8.884 8.247 0.637 19547 3079 1 12 . 1 1 42 42 VAL N N 42 124.906 124.906 118.313 6.593 19547 3080 1 12 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.390 0.012 19547 3081 1 12 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.752 -1.191 19547 3082 1 12 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.690 0.921 19547 3083 1 12 . 1 1 42 42 VAL H H 42 7.812 7.812 7.766 0.046 19547 3084 1 12 . 1 1 43 43 HIS N N 43 119.082 119.082 123.868 -4.786 19547 3085 1 12 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.774 0.685 19547 3086 1 12 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.372 -1.429 19547 3087 1 12 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.093 5.287 19547 3088 1 12 . 1 1 43 43 HIS H H 43 8.652 8.652 8.310 0.342 19547 3089 1 12 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.336 -0.387 19547 3090 1 12 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.137 2.237 19547 3091 1 12 . 1 1 45 45 GLU N N 45 126.045 126.045 122.803 3.242 19547 3092 1 12 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.058 0.286 19547 3093 1 12 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.756 0.164 19547 3094 1 12 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.504 0.576 19547 3095 1 12 . 1 1 45 45 GLU H H 45 7.873 7.873 8.990 -1.117 19547 3096 1 12 . 1 1 46 46 GLU N N 46 118.418 118.418 117.727 0.691 19547 3097 1 12 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.195 0.053 19547 3098 1 12 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.616 0.151 19547 3099 1 12 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.398 -2.173 19547 3100 1 12 . 1 1 46 46 GLU H H 46 10.810 10.810 8.544 2.266 19547 3101 1 12 . 1 1 47 47 ILE N N 47 122.170 122.170 119.085 3.085 19547 3102 1 12 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.897 -0.081 19547 3103 1 12 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.508 -1.230 19547 3104 1 12 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.163 -2.680 19547 3105 1 12 . 1 1 47 47 ILE H H 47 7.221 7.221 7.626 -0.405 19547 3106 1 12 . 1 1 48 48 TYR N N 48 122.213 122.213 122.267 -0.054 19547 3107 1 12 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.972 -0.319 19547 3108 1 12 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.007 0.013 19547 3109 1 12 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.275 0.775 19547 3110 1 12 . 1 1 48 48 TYR H H 48 8.115 8.115 8.891 -0.776 19547 3111 1 12 . 1 1 49 49 GLN N N 49 115.426 115.426 116.339 -0.913 19547 3112 1 12 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.932 -0.086 19547 3113 1 12 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.011 0.434 19547 3114 1 12 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.538 -0.346 19547 3115 1 12 . 1 1 49 49 GLN H H 49 8.602 8.602 7.907 0.695 19547 3116 1 12 . 1 1 50 50 ARG N N 50 120.058 120.058 116.861 3.197 19547 3117 1 12 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.186 -0.196 19547 3118 1 12 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.398 1.615 19547 3119 1 12 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.199 0.094 19547 3120 1 12 . 1 1 50 50 ARG H H 50 7.171 7.171 7.660 -0.489 19547 3121 1 12 . 1 1 51 51 ILE N N 51 120.766 120.766 119.251 1.515 19547 3122 1 12 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.732 -0.103 19547 3123 1 12 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.060 1.245 19547 3124 1 12 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.185 0.758 19547 3125 1 12 . 1 1 51 51 ILE H H 51 7.893 7.893 7.035 0.858 19547 3126 1 12 . 1 1 52 52 GLN N N 52 119.013 119.013 117.421 1.592 19547 3127 1 12 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.009 -0.187 19547 3128 1 12 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.268 1.160 19547 3129 1 12 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.207 1.073 19547 3130 1 12 . 1 1 52 52 GLN H H 52 7.907 7.907 7.401 0.506 19547 3131 1 12 . 1 1 53 53 ALA N N 53 120.605 120.605 120.881 -0.276 19547 3132 1 12 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.167 0.019 19547 3133 1 12 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.024 0.133 19547 3134 1 12 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.011 -0.367 19547 3135 1 12 . 1 1 53 53 ALA H H 53 7.592 7.592 7.810 -0.218 19547 3136 1 12 . 1 1 54 54 GLY N N 54 105.866 105.866 104.649 1.217 19547 3137 1 12 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.919 0.703 19547 3138 1 12 . 1 1 54 54 GLY H H 54 7.720 7.720 7.719 0.001 19547 3139 1 12 . 1 1 55 55 LEU N N 55 120.773 120.773 116.521 4.252 19547 3140 1 12 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.989 -0.663 19547 3141 1 12 . 1 1 55 55 LEU CA C 55 55.105 55.105 54.097 1.008 19547 3142 1 12 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.795 -0.548 19547 3143 1 12 . 1 1 55 55 LEU H H 55 7.697 7.697 7.801 -0.104 19547 3144 1 12 . 1 1 56 56 THR N N 56 113.079 113.079 112.479 0.600 19547 3145 1 12 . 1 1 56 56 THR HA H 56 4.253 4.253 4.386 -0.133 19547 3146 1 12 . 1 1 56 56 THR CA C 56 61.320 61.320 62.092 -0.772 19547 3147 1 12 . 1 1 56 56 THR CB C 56 69.885 69.885 69.563 0.322 19547 3148 1 12 . 1 1 56 56 THR H H 56 7.743 7.743 8.130 -0.387 19547 3149 1 12 . 1 1 57 57 ALA N N 57 127.233 127.233 124.102 3.131 19547 3150 1 12 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.771 -0.268 19547 3151 1 12 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.049 0.520 19547 3152 1 12 . 1 1 57 57 ALA CB C 57 18.294 18.294 20.253 -1.959 19547 3153 1 12 . 1 1 57 57 ALA H H 57 8.072 8.072 7.608 0.464 19547 3154 1 12 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.313 0.001 19547 3155 1 12 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.325 1.039 19547 3156 1 12 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.413 -0.557 19547 3157 1 13 . 1 1 2 2 LEU N N 2 125.858 125.858 126.158 -0.300 19547 3158 1 13 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.834 -0.246 19547 3159 1 13 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.108 -0.931 19547 3160 1 13 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.084 -0.701 19547 3161 1 13 . 1 1 2 2 LEU H H 2 8.415 8.415 8.465 -0.050 19547 3162 1 13 . 1 1 3 3 ILE N N 3 130.863 130.863 123.454 7.409 19547 3163 1 13 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.471 0.382 19547 3164 1 13 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.936 -0.617 19547 3165 1 13 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.468 -1.417 19547 3166 1 13 . 1 1 3 3 ILE H H 3 10.198 10.198 8.301 1.897 19547 3167 1 13 . 1 1 4 4 LEU N N 4 123.561 123.561 126.037 -2.476 19547 3168 1 13 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.843 -0.300 19547 3169 1 13 . 1 1 4 4 LEU CA C 4 52.407 52.407 54.016 -1.609 19547 3170 1 13 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.793 1.557 19547 3171 1 13 . 1 1 4 4 LEU H H 4 8.846 8.846 8.262 0.584 19547 3172 1 13 . 1 1 5 5 THR N N 5 123.256 123.256 114.550 8.706 19547 3173 1 13 . 1 1 5 5 THR HA H 5 5.469 5.469 4.665 0.804 19547 3174 1 13 . 1 1 5 5 THR CA C 5 60.415 60.415 61.213 -0.798 19547 3175 1 13 . 1 1 5 5 THR CB C 5 69.449 69.449 70.484 -1.035 19547 3176 1 13 . 1 1 5 5 THR H H 5 9.094 9.094 8.214 0.880 19547 3177 1 13 . 1 1 6 6 ARG N N 6 123.316 123.316 123.350 -0.034 19547 3178 1 13 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.397 0.512 19547 3179 1 13 . 1 1 6 6 ARG CA C 6 55.056 55.056 55.349 -0.293 19547 3180 1 13 . 1 1 6 6 ARG CB C 6 38.720 38.720 32.670 6.050 19547 3181 1 13 . 1 1 6 6 ARG H H 6 9.161 9.161 8.474 0.687 19547 3182 1 13 . 1 1 7 7 LYS N N 7 122.466 122.466 125.625 -3.159 19547 3183 1 13 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.469 0.744 19547 3184 1 13 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.475 -1.451 19547 3185 1 13 . 1 1 7 7 LYS CB C 7 33.909 33.909 33.519 0.390 19547 3186 1 13 . 1 1 7 7 LYS H H 7 9.295 9.295 8.647 0.648 19547 3187 1 13 . 1 1 8 8 VAL N N 8 118.123 118.123 118.413 -0.290 19547 3188 1 13 . 1 1 8 8 VAL HA H 8 3.278 3.278 4.013 -0.735 19547 3189 1 13 . 1 1 8 8 VAL CA C 8 65.914 65.914 62.437 3.478 19547 3190 1 13 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.342 1.247 19547 3191 1 13 . 1 1 8 8 VAL H H 8 7.576 7.576 8.152 -0.576 19547 3192 1 13 . 1 1 9 9 GLY N N 9 116.005 116.005 116.319 -0.314 19547 3193 1 13 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.846 -0.264 19547 3194 1 13 . 1 1 9 9 GLY H H 9 9.255 9.255 9.168 0.087 19547 3195 1 13 . 1 1 10 10 GLU N N 10 119.485 119.485 119.677 -0.192 19547 3196 1 13 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.786 0.096 19547 3197 1 13 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.240 1.452 19547 3198 1 13 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.919 -0.336 19547 3199 1 13 . 1 1 10 10 GLU H H 10 8.364 8.364 7.927 0.437 19547 3200 1 13 . 1 1 11 11 SER N N 11 112.365 112.365 113.327 -0.962 19547 3201 1 13 . 1 1 11 11 SER HA H 11 5.866 5.866 5.337 0.529 19547 3202 1 13 . 1 1 11 11 SER CA C 11 57.942 57.942 57.139 0.804 19547 3203 1 13 . 1 1 11 11 SER CB C 11 67.035 67.035 66.017 1.018 19547 3204 1 13 . 1 1 11 11 SER H H 11 8.620 8.620 8.357 0.263 19547 3205 1 13 . 1 1 12 12 ILE N N 12 124.398 124.398 120.435 3.963 19547 3206 1 13 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.530 -0.188 19547 3207 1 13 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.163 0.736 19547 3208 1 13 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.188 0.603 19547 3209 1 13 . 1 1 12 12 ILE H H 12 9.260 9.260 8.951 0.309 19547 3210 1 13 . 1 1 13 13 ASN N N 13 126.218 126.218 120.962 5.256 19547 3211 1 13 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.077 -0.053 19547 3212 1 13 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.454 0.865 19547 3213 1 13 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.833 -0.371 19547 3214 1 13 . 1 1 13 13 ASN H H 13 9.364 9.364 8.504 0.860 19547 3215 1 13 . 1 1 14 14 ILE N N 14 123.971 123.971 121.209 2.762 19547 3216 1 13 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.446 0.010 19547 3217 1 13 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.747 -0.176 19547 3218 1 13 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.265 -2.741 19547 3219 1 13 . 1 1 14 14 ILE H H 14 8.451 8.451 8.517 -0.066 19547 3220 1 13 . 1 1 15 15 GLY N N 15 115.306 115.306 114.190 1.116 19547 3221 1 13 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.036 0.024 19547 3222 1 13 . 1 1 15 15 GLY H H 15 9.075 9.075 8.582 0.493 19547 3223 1 13 . 1 1 16 16 ASP N N 16 120.409 120.409 120.965 -0.556 19547 3224 1 13 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.702 0.207 19547 3225 1 13 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.079 1.278 19547 3226 1 13 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.309 0.961 19547 3227 1 13 . 1 1 16 16 ASP H H 16 8.713 8.713 8.351 0.362 19547 3228 1 13 . 1 1 17 17 ASP N N 17 115.565 115.565 119.977 -4.412 19547 3229 1 13 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.896 -0.167 19547 3230 1 13 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.675 -0.551 19547 3231 1 13 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.715 -1.197 19547 3232 1 13 . 1 1 17 17 ASP H H 17 8.149 8.149 7.880 0.269 19547 3233 1 13 . 1 1 18 18 ILE N N 18 118.660 118.660 119.623 -0.963 19547 3234 1 13 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.076 0.102 19547 3235 1 13 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.452 -0.298 19547 3236 1 13 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.335 -2.723 19547 3237 1 13 . 1 1 18 18 ILE H H 18 7.181 7.181 7.672 -0.491 19547 3238 1 13 . 1 1 19 19 THR N N 19 122.893 122.893 120.997 1.896 19547 3239 1 13 . 1 1 19 19 THR HA H 19 5.104 5.104 5.011 0.093 19547 3240 1 13 . 1 1 19 19 THR CA C 19 60.949 60.949 61.675 -0.726 19547 3241 1 13 . 1 1 19 19 THR CB C 19 71.669 71.669 72.450 -0.781 19547 3242 1 13 . 1 1 19 19 THR H H 19 8.922 8.922 8.519 0.403 19547 3243 1 13 . 1 1 20 20 ILE N N 20 123.852 123.852 121.693 2.159 19547 3244 1 13 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.934 -0.093 19547 3245 1 13 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.258 -0.328 19547 3246 1 13 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.045 -1.745 19547 3247 1 13 . 1 1 20 20 ILE H H 20 8.930 8.930 9.110 -0.180 19547 3248 1 13 . 1 1 21 21 THR N N 21 123.855 123.855 119.562 4.293 19547 3249 1 13 . 1 1 21 21 THR HA H 21 4.821 4.821 4.970 -0.149 19547 3250 1 13 . 1 1 21 21 THR CA C 21 61.436 61.436 61.527 -0.091 19547 3251 1 13 . 1 1 21 21 THR CB C 21 71.939 71.939 72.188 -0.249 19547 3252 1 13 . 1 1 21 21 THR H H 21 9.372 9.372 8.895 0.477 19547 3253 1 13 . 1 1 22 22 ILE N N 22 125.561 125.561 127.092 -1.531 19547 3254 1 13 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.572 -0.480 19547 3255 1 13 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.188 0.916 19547 3256 1 13 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.925 -4.073 19547 3257 1 13 . 1 1 22 22 ILE H H 22 8.107 8.107 8.549 -0.442 19547 3258 1 13 . 1 1 23 23 LEU N N 23 129.208 129.208 127.592 1.616 19547 3259 1 13 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.382 -0.115 19547 3260 1 13 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.728 -0.238 19547 3261 1 13 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.517 0.717 19547 3262 1 13 . 1 1 23 23 LEU H H 23 8.910 8.910 8.382 0.528 19547 3263 1 13 . 1 1 24 24 GLY N N 24 104.396 104.396 103.817 0.579 19547 3264 1 13 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.897 1.071 19547 3265 1 13 . 1 1 24 24 GLY H H 24 7.493 7.493 7.719 -0.226 19547 3266 1 13 . 1 1 25 25 VAL N N 25 120.463 120.463 116.512 3.951 19547 3267 1 13 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.989 -0.368 19547 3268 1 13 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.250 3.273 19547 3269 1 13 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.290 0.443 19547 3270 1 13 . 1 1 25 25 VAL H H 25 8.406 8.406 8.207 0.199 19547 3271 1 13 . 1 1 26 26 SER N N 26 121.835 121.835 117.365 4.470 19547 3272 1 13 . 1 1 26 26 SER HA H 26 4.612 4.612 4.692 -0.080 19547 3273 1 13 . 1 1 26 26 SER CA C 26 56.564 56.564 57.983 -1.419 19547 3274 1 13 . 1 1 26 26 SER CB C 26 63.858 63.858 63.259 0.599 19547 3275 1 13 . 1 1 26 26 SER H H 26 8.545 8.545 8.765 -0.220 19547 3276 1 13 . 1 1 27 27 GLY N N 27 118.379 118.379 112.022 6.357 19547 3277 1 13 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.633 1.794 19547 3278 1 13 . 1 1 27 27 GLY H H 27 8.714 8.714 8.601 0.113 19547 3279 1 13 . 1 1 28 28 GLN N N 28 124.776 124.776 123.016 1.760 19547 3280 1 13 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.525 -0.236 19547 3281 1 13 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.403 -0.404 19547 3282 1 13 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.755 0.189 19547 3283 1 13 . 1 1 28 28 GLN H H 28 9.208 9.208 8.589 0.619 19547 3284 1 13 . 1 1 29 29 GLN N N 29 118.507 118.507 119.727 -1.220 19547 3285 1 13 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.509 0.063 19547 3286 1 13 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.709 0.677 19547 3287 1 13 . 1 1 29 29 GLN H H 29 8.423 8.423 7.943 0.480 19547 3288 1 13 . 1 1 30 30 VAL N N 30 126.854 126.854 119.241 7.613 19547 3289 1 13 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.331 0.225 19547 3290 1 13 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.086 -0.475 19547 3291 1 13 . 1 1 30 30 VAL CB C 30 34.293 34.293 34.974 -0.681 19547 3292 1 13 . 1 1 30 30 VAL H H 30 9.304 9.304 8.261 1.043 19547 3293 1 13 . 1 1 31 31 ARG N N 31 127.878 127.878 125.692 2.186 19547 3294 1 13 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.795 -0.186 19547 3295 1 13 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.911 0.657 19547 3296 1 13 . 1 1 31 31 ARG CB C 31 31.531 31.531 32.974 -1.443 19547 3297 1 13 . 1 1 31 31 ARG H H 31 8.683 8.683 8.957 -0.274 19547 3298 1 13 . 1 1 32 32 ILE N N 32 127.071 127.071 123.808 3.263 19547 3299 1 13 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.566 -1.911 19547 3300 1 13 . 1 1 32 32 ILE H H 32 8.958 8.958 8.559 0.399 19547 3301 1 13 . 1 1 33 33 GLY N N 33 112.801 112.801 112.798 0.003 19547 3302 1 13 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.620 0.955 19547 3303 1 13 . 1 1 33 33 GLY H H 33 9.114 9.114 8.941 0.173 19547 3304 1 13 . 1 1 34 34 ILE N N 34 125.117 125.117 119.003 6.114 19547 3305 1 13 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.735 0.068 19547 3306 1 13 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.313 0.480 19547 3307 1 13 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.373 -1.274 19547 3308 1 13 . 1 1 34 34 ILE H H 34 9.566 9.566 8.136 1.430 19547 3309 1 13 . 1 1 35 35 ASN N N 35 129.274 129.274 123.801 5.473 19547 3310 1 13 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.938 0.141 19547 3311 1 13 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.609 -0.423 19547 3312 1 13 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.886 0.430 19547 3313 1 13 . 1 1 35 35 ASN H H 35 8.908 8.908 8.724 0.184 19547 3314 1 13 . 1 1 36 36 ALA N N 36 125.590 125.590 127.029 -1.439 19547 3315 1 13 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.275 -0.213 19547 3316 1 13 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.400 -0.051 19547 3317 1 13 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.043 -1.141 19547 3318 1 13 . 1 1 36 36 ALA H H 36 8.241 8.241 8.034 0.207 19547 3319 1 13 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.576 -0.171 19547 3320 1 13 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.099 0.798 19547 3321 1 13 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.473 -0.071 19547 3322 1 13 . 1 1 38 38 LYS N N 38 120.951 120.951 120.505 0.446 19547 3323 1 13 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.126 -0.363 19547 3324 1 13 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.541 1.291 19547 3325 1 13 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.666 0.262 19547 3326 1 13 . 1 1 38 38 LYS H H 38 8.549 8.549 8.481 0.068 19547 3327 1 13 . 1 1 39 39 ASP N N 39 113.835 113.835 118.554 -4.719 19547 3328 1 13 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.492 -0.146 19547 3329 1 13 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.879 -0.810 19547 3330 1 13 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.112 -1.238 19547 3331 1 13 . 1 1 39 39 ASP H H 39 8.126 8.126 8.269 -0.143 19547 3332 1 13 . 1 1 40 40 VAL N N 40 122.591 122.591 114.199 8.392 19547 3333 1 13 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.470 -0.508 19547 3334 1 13 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.775 2.150 19547 3335 1 13 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.625 -3.780 19547 3336 1 13 . 1 1 40 40 VAL H H 40 8.002 8.002 7.378 0.624 19547 3337 1 13 . 1 1 41 41 ALA N N 41 133.626 133.626 125.541 8.085 19547 3338 1 13 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.984 -0.546 19547 3339 1 13 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.582 0.609 19547 3340 1 13 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.024 -0.974 19547 3341 1 13 . 1 1 41 41 ALA H H 41 8.884 8.884 8.252 0.632 19547 3342 1 13 . 1 1 42 42 VAL N N 42 124.906 124.906 118.041 6.865 19547 3343 1 13 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.399 0.003 19547 3344 1 13 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.843 -1.282 19547 3345 1 13 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.196 0.415 19547 3346 1 13 . 1 1 42 42 VAL H H 42 7.812 7.812 7.709 0.103 19547 3347 1 13 . 1 1 43 43 HIS N N 43 119.082 119.082 123.577 -4.495 19547 3348 1 13 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.805 0.654 19547 3349 1 13 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.061 -1.118 19547 3350 1 13 . 1 1 43 43 HIS CB C 43 37.380 37.380 31.965 5.415 19547 3351 1 13 . 1 1 43 43 HIS H H 43 8.652 8.652 8.314 0.338 19547 3352 1 13 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.371 -0.422 19547 3353 1 13 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.857 2.517 19547 3354 1 13 . 1 1 45 45 GLU N N 45 126.045 126.045 122.170 3.875 19547 3355 1 13 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.039 0.305 19547 3356 1 13 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.717 0.203 19547 3357 1 13 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.521 0.559 19547 3358 1 13 . 1 1 45 45 GLU H H 45 7.873 7.873 8.929 -1.056 19547 3359 1 13 . 1 1 46 46 GLU N N 46 118.418 118.418 117.526 0.892 19547 3360 1 13 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.174 0.074 19547 3361 1 13 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.560 0.207 19547 3362 1 13 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.373 -2.148 19547 3363 1 13 . 1 1 46 46 GLU H H 46 10.810 10.810 8.550 2.260 19547 3364 1 13 . 1 1 47 47 ILE N N 47 122.170 122.170 118.196 3.974 19547 3365 1 13 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.929 -0.113 19547 3366 1 13 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.201 -0.923 19547 3367 1 13 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.382 -2.899 19547 3368 1 13 . 1 1 47 47 ILE H H 47 7.221 7.221 7.523 -0.302 19547 3369 1 13 . 1 1 48 48 TYR N N 48 122.213 122.213 122.208 0.005 19547 3370 1 13 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.930 -0.277 19547 3371 1 13 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.114 -0.094 19547 3372 1 13 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.318 0.732 19547 3373 1 13 . 1 1 48 48 TYR H H 48 8.115 8.115 8.828 -0.713 19547 3374 1 13 . 1 1 49 49 GLN N N 49 115.426 115.426 117.562 -2.136 19547 3375 1 13 . 1 1 49 49 GLN HA H 49 3.846 3.846 4.030 -0.184 19547 3376 1 13 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.087 0.358 19547 3377 1 13 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.470 -0.278 19547 3378 1 13 . 1 1 49 49 GLN H H 49 8.602 8.602 8.010 0.592 19547 3379 1 13 . 1 1 50 50 ARG N N 50 120.058 120.058 117.859 2.199 19547 3380 1 13 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.187 -0.197 19547 3381 1 13 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.835 1.178 19547 3382 1 13 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.376 -0.083 19547 3383 1 13 . 1 1 50 50 ARG H H 50 7.171 7.171 7.813 -0.642 19547 3384 1 13 . 1 1 51 51 ILE N N 51 120.766 120.766 120.372 0.394 19547 3385 1 13 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.753 -0.124 19547 3386 1 13 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.855 0.451 19547 3387 1 13 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.980 -0.037 19547 3388 1 13 . 1 1 51 51 ILE H H 51 7.893 7.893 7.283 0.610 19547 3389 1 13 . 1 1 52 52 GLN N N 52 119.013 119.013 117.346 1.667 19547 3390 1 13 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.038 -0.216 19547 3391 1 13 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.033 1.395 19547 3392 1 13 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.355 0.925 19547 3393 1 13 . 1 1 52 52 GLN H H 52 7.907 7.907 7.448 0.459 19547 3394 1 13 . 1 1 53 53 ALA N N 53 120.605 120.605 120.356 0.249 19547 3395 1 13 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.220 -0.034 19547 3396 1 13 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.737 0.420 19547 3397 1 13 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.728 -0.084 19547 3398 1 13 . 1 1 53 53 ALA H H 53 7.592 7.592 7.746 -0.154 19547 3399 1 13 . 1 1 54 54 GLY N N 54 105.866 105.866 105.247 0.619 19547 3400 1 13 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.998 0.624 19547 3401 1 13 . 1 1 54 54 GLY H H 54 7.720 7.720 7.484 0.236 19547 3402 1 13 . 1 1 55 55 LEU N N 55 120.773 120.773 119.650 1.123 19547 3403 1 13 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.880 -0.554 19547 3404 1 13 . 1 1 55 55 LEU CA C 55 55.105 55.105 53.764 1.341 19547 3405 1 13 . 1 1 55 55 LEU CB C 55 42.247 42.247 43.578 -1.331 19547 3406 1 13 . 1 1 55 55 LEU H H 55 7.697 7.697 7.787 -0.090 19547 3407 1 13 . 1 1 56 56 THR N N 56 113.079 113.079 112.375 0.704 19547 3408 1 13 . 1 1 56 56 THR HA H 56 4.253 4.253 4.104 0.149 19547 3409 1 13 . 1 1 56 56 THR CA C 56 61.320 61.320 63.808 -2.488 19547 3410 1 13 . 1 1 56 56 THR CB C 56 69.885 69.885 67.977 1.908 19547 3411 1 13 . 1 1 56 56 THR H H 56 7.743 7.743 8.532 -0.789 19547 3412 1 13 . 1 1 57 57 ALA N N 57 127.233 127.233 124.280 2.953 19547 3413 1 13 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.624 -0.121 19547 3414 1 13 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.759 -0.190 19547 3415 1 13 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.386 -1.092 19547 3416 1 13 . 1 1 57 57 ALA H H 57 8.072 8.072 7.926 0.145 19547 3417 1 13 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.437 -0.123 19547 3418 1 13 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.296 1.068 19547 3419 1 13 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.399 -0.543 19547 3420 1 14 . 1 1 2 2 LEU N N 2 125.858 125.858 127.186 -1.328 19547 3421 1 14 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.935 -0.347 19547 3422 1 14 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.477 -0.300 19547 3423 1 14 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.492 -1.109 19547 3424 1 14 . 1 1 2 2 LEU H H 2 8.415 8.415 8.575 -0.160 19547 3425 1 14 . 1 1 3 3 ILE N N 3 130.863 130.863 125.293 5.570 19547 3426 1 14 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.526 0.327 19547 3427 1 14 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.703 -0.384 19547 3428 1 14 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.601 -1.550 19547 3429 1 14 . 1 1 3 3 ILE H H 3 10.198 10.198 8.305 1.893 19547 3430 1 14 . 1 1 4 4 LEU N N 4 123.561 123.561 126.143 -2.582 19547 3431 1 14 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.711 -0.168 19547 3432 1 14 . 1 1 4 4 LEU CA C 4 52.407 52.407 54.070 -1.663 19547 3433 1 14 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.947 1.403 19547 3434 1 14 . 1 1 4 4 LEU H H 4 8.846 8.846 8.377 0.469 19547 3435 1 14 . 1 1 5 5 THR N N 5 123.256 123.256 117.039 6.217 19547 3436 1 14 . 1 1 5 5 THR HA H 5 5.469 5.469 4.689 0.780 19547 3437 1 14 . 1 1 5 5 THR CA C 5 60.415 60.415 61.390 -0.975 19547 3438 1 14 . 1 1 5 5 THR CB C 5 69.449 69.449 69.666 -0.217 19547 3439 1 14 . 1 1 5 5 THR H H 5 9.094 9.094 8.328 0.766 19547 3440 1 14 . 1 1 6 6 ARG N N 6 123.316 123.316 122.269 1.047 19547 3441 1 14 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.091 -0.182 19547 3442 1 14 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.453 0.604 19547 3443 1 14 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.293 5.427 19547 3444 1 14 . 1 1 6 6 ARG H H 6 9.161 9.161 8.396 0.765 19547 3445 1 14 . 1 1 7 7 LYS N N 7 122.466 122.466 120.693 1.773 19547 3446 1 14 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.641 0.572 19547 3447 1 14 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.100 -1.076 19547 3448 1 14 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.786 -1.877 19547 3449 1 14 . 1 1 7 7 LYS H H 7 9.295 9.295 8.589 0.706 19547 3450 1 14 . 1 1 8 8 VAL N N 8 118.123 118.123 119.706 -1.583 19547 3451 1 14 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.897 -0.619 19547 3452 1 14 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.483 2.431 19547 3453 1 14 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.587 1.002 19547 3454 1 14 . 1 1 8 8 VAL H H 8 7.576 7.576 8.459 -0.883 19547 3455 1 14 . 1 1 9 9 GLY N N 9 116.005 116.005 115.278 0.727 19547 3456 1 14 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.832 -0.250 19547 3457 1 14 . 1 1 9 9 GLY H H 9 9.255 9.255 9.351 -0.096 19547 3458 1 14 . 1 1 10 10 GLU N N 10 119.485 119.485 120.735 -1.250 19547 3459 1 14 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.609 0.273 19547 3460 1 14 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.544 0.148 19547 3461 1 14 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.136 1.447 19547 3462 1 14 . 1 1 10 10 GLU H H 10 8.364 8.364 8.513 -0.149 19547 3463 1 14 . 1 1 11 11 SER N N 11 112.365 112.365 112.528 -0.163 19547 3464 1 14 . 1 1 11 11 SER HA H 11 5.866 5.866 5.254 0.612 19547 3465 1 14 . 1 1 11 11 SER CA C 11 57.942 57.942 57.430 0.512 19547 3466 1 14 . 1 1 11 11 SER CB C 11 67.035 67.035 66.421 0.614 19547 3467 1 14 . 1 1 11 11 SER H H 11 8.620 8.620 8.379 0.241 19547 3468 1 14 . 1 1 12 12 ILE N N 12 124.398 124.398 120.769 3.629 19547 3469 1 14 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.551 -0.209 19547 3470 1 14 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.570 0.329 19547 3471 1 14 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.372 0.419 19547 3472 1 14 . 1 1 12 12 ILE H H 12 9.260 9.260 8.912 0.348 19547 3473 1 14 . 1 1 13 13 ASN N N 13 126.218 126.218 120.996 5.222 19547 3474 1 14 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.072 -0.048 19547 3475 1 14 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.465 0.854 19547 3476 1 14 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.720 -0.258 19547 3477 1 14 . 1 1 13 13 ASN H H 13 9.364 9.364 8.511 0.853 19547 3478 1 14 . 1 1 14 14 ILE N N 14 123.971 123.971 121.487 2.484 19547 3479 1 14 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.441 0.015 19547 3480 1 14 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.759 -0.188 19547 3481 1 14 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.181 -2.657 19547 3482 1 14 . 1 1 14 14 ILE H H 14 8.451 8.451 8.509 -0.058 19547 3483 1 14 . 1 1 15 15 GLY N N 15 115.306 115.306 114.363 0.943 19547 3484 1 14 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.037 0.023 19547 3485 1 14 . 1 1 15 15 GLY H H 15 9.075 9.075 8.578 0.497 19547 3486 1 14 . 1 1 16 16 ASP N N 16 120.409 120.409 120.953 -0.544 19547 3487 1 14 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.700 0.209 19547 3488 1 14 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.072 1.285 19547 3489 1 14 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.303 0.967 19547 3490 1 14 . 1 1 16 16 ASP H H 16 8.713 8.713 8.349 0.364 19547 3491 1 14 . 1 1 17 17 ASP N N 17 115.565 115.565 119.992 -4.427 19547 3492 1 14 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.899 -0.170 19547 3493 1 14 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.678 -0.555 19547 3494 1 14 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.696 -1.178 19547 3495 1 14 . 1 1 17 17 ASP H H 17 8.149 8.149 7.883 0.266 19547 3496 1 14 . 1 1 18 18 ILE N N 18 118.660 118.660 119.604 -0.944 19547 3497 1 14 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.082 0.096 19547 3498 1 14 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.174 -0.020 19547 3499 1 14 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.402 -2.790 19547 3500 1 14 . 1 1 18 18 ILE H H 18 7.181 7.181 7.750 -0.569 19547 3501 1 14 . 1 1 19 19 THR N N 19 122.893 122.893 120.442 2.451 19547 3502 1 14 . 1 1 19 19 THR HA H 19 5.104 5.104 5.021 0.083 19547 3503 1 14 . 1 1 19 19 THR CA C 19 60.949 60.949 61.439 -0.490 19547 3504 1 14 . 1 1 19 19 THR CB C 19 71.669 71.669 72.468 -0.799 19547 3505 1 14 . 1 1 19 19 THR H H 19 8.922 8.922 8.375 0.547 19547 3506 1 14 . 1 1 20 20 ILE N N 20 123.852 123.852 121.560 2.292 19547 3507 1 14 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.911 -0.070 19547 3508 1 14 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.274 -0.344 19547 3509 1 14 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.024 -1.724 19547 3510 1 14 . 1 1 20 20 ILE H H 20 8.930 8.930 9.088 -0.158 19547 3511 1 14 . 1 1 21 21 THR N N 21 123.855 123.855 120.374 3.481 19547 3512 1 14 . 1 1 21 21 THR HA H 21 4.821 4.821 4.892 -0.071 19547 3513 1 14 . 1 1 21 21 THR CA C 21 61.436 61.436 61.674 -0.238 19547 3514 1 14 . 1 1 21 21 THR CB C 21 71.939 71.939 71.858 0.081 19547 3515 1 14 . 1 1 21 21 THR H H 21 9.372 9.372 8.817 0.555 19547 3516 1 14 . 1 1 22 22 ILE N N 22 125.561 125.561 128.751 -3.190 19547 3517 1 14 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.271 -0.179 19547 3518 1 14 . 1 1 22 22 ILE CA C 22 59.103 59.103 59.219 -0.116 19547 3519 1 14 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.590 -3.739 19547 3520 1 14 . 1 1 22 22 ILE H H 22 8.107 8.107 8.395 -0.288 19547 3521 1 14 . 1 1 23 23 LEU N N 23 129.208 129.208 129.940 -0.732 19547 3522 1 14 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.165 0.102 19547 3523 1 14 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.916 -0.426 19547 3524 1 14 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.871 0.362 19547 3525 1 14 . 1 1 23 23 LEU H H 23 8.910 8.910 8.211 0.699 19547 3526 1 14 . 1 1 24 24 GLY N N 24 104.396 104.396 104.247 0.149 19547 3527 1 14 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.911 1.057 19547 3528 1 14 . 1 1 24 24 GLY H H 24 7.493 7.493 7.621 -0.128 19547 3529 1 14 . 1 1 25 25 VAL N N 25 120.463 120.463 115.537 4.926 19547 3530 1 14 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.576 0.045 19547 3531 1 14 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.819 1.704 19547 3532 1 14 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.546 0.187 19547 3533 1 14 . 1 1 25 25 VAL H H 25 8.406 8.406 8.148 0.258 19547 3534 1 14 . 1 1 26 26 SER N N 26 121.835 121.835 118.273 3.562 19547 3535 1 14 . 1 1 26 26 SER HA H 26 4.612 4.612 4.709 -0.097 19547 3536 1 14 . 1 1 26 26 SER CA C 26 56.564 56.564 58.357 -1.793 19547 3537 1 14 . 1 1 26 26 SER CB C 26 63.858 63.858 63.684 0.173 19547 3538 1 14 . 1 1 26 26 SER H H 26 8.545 8.545 8.857 -0.312 19547 3539 1 14 . 1 1 27 27 GLY N N 27 118.379 118.379 110.294 8.085 19547 3540 1 14 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.962 2.465 19547 3541 1 14 . 1 1 27 27 GLY H H 27 8.714 8.714 8.282 0.432 19547 3542 1 14 . 1 1 28 28 GLN N N 28 124.776 124.776 122.297 2.479 19547 3543 1 14 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.360 -0.071 19547 3544 1 14 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.384 -1.385 19547 3545 1 14 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.661 1.283 19547 3546 1 14 . 1 1 28 28 GLN H H 28 9.208 9.208 8.524 0.684 19547 3547 1 14 . 1 1 29 29 GLN N N 29 118.507 118.507 117.605 0.902 19547 3548 1 14 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.622 -0.050 19547 3549 1 14 . 1 1 29 29 GLN CB C 29 31.386 31.386 31.391 -0.005 19547 3550 1 14 . 1 1 29 29 GLN H H 29 8.423 8.423 7.723 0.700 19547 3551 1 14 . 1 1 30 30 VAL N N 30 126.854 126.854 119.766 7.088 19547 3552 1 14 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.372 0.184 19547 3553 1 14 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.280 -0.669 19547 3554 1 14 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.303 -1.010 19547 3555 1 14 . 1 1 30 30 VAL H H 30 9.304 9.304 8.386 0.918 19547 3556 1 14 . 1 1 31 31 ARG N N 31 127.878 127.878 124.739 3.139 19547 3557 1 14 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.790 -0.181 19547 3558 1 14 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.674 0.894 19547 3559 1 14 . 1 1 31 31 ARG CB C 31 31.531 31.531 32.986 -1.455 19547 3560 1 14 . 1 1 31 31 ARG H H 31 8.683 8.683 9.028 -0.345 19547 3561 1 14 . 1 1 32 32 ILE N N 32 127.071 127.071 122.526 4.545 19547 3562 1 14 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.126 -1.470 19547 3563 1 14 . 1 1 32 32 ILE H H 32 8.958 8.958 8.599 0.359 19547 3564 1 14 . 1 1 33 33 GLY N N 33 112.801 112.801 113.707 -0.906 19547 3565 1 14 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.599 0.976 19547 3566 1 14 . 1 1 33 33 GLY H H 33 9.114 9.114 9.048 0.066 19547 3567 1 14 . 1 1 34 34 ILE N N 34 125.117 125.117 119.149 5.968 19547 3568 1 14 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.762 0.041 19547 3569 1 14 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.251 0.542 19547 3570 1 14 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.333 -1.234 19547 3571 1 14 . 1 1 34 34 ILE H H 34 9.566 9.566 8.107 1.459 19547 3572 1 14 . 1 1 35 35 ASN N N 35 129.274 129.274 123.777 5.497 19547 3573 1 14 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.945 0.134 19547 3574 1 14 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.517 -0.331 19547 3575 1 14 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.838 0.478 19547 3576 1 14 . 1 1 35 35 ASN H H 35 8.908 8.908 8.691 0.217 19547 3577 1 14 . 1 1 36 36 ALA N N 36 125.590 125.590 127.129 -1.539 19547 3578 1 14 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.279 -0.217 19547 3579 1 14 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.427 -0.078 19547 3580 1 14 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.956 -1.055 19547 3581 1 14 . 1 1 36 36 ALA H H 36 8.241 8.241 8.036 0.205 19547 3582 1 14 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.572 -0.167 19547 3583 1 14 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.101 0.795 19547 3584 1 14 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.462 -0.061 19547 3585 1 14 . 1 1 38 38 LYS N N 38 120.951 120.951 120.640 0.311 19547 3586 1 14 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.130 -0.367 19547 3587 1 14 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.553 1.279 19547 3588 1 14 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.695 0.233 19547 3589 1 14 . 1 1 38 38 LYS H H 38 8.549 8.549 8.482 0.067 19547 3590 1 14 . 1 1 39 39 ASP N N 39 113.835 113.835 118.556 -4.721 19547 3591 1 14 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.489 -0.143 19547 3592 1 14 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.926 -0.857 19547 3593 1 14 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.126 -1.252 19547 3594 1 14 . 1 1 39 39 ASP H H 39 8.126 8.126 8.260 -0.134 19547 3595 1 14 . 1 1 40 40 VAL N N 40 122.591 122.591 113.927 8.664 19547 3596 1 14 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.477 -0.515 19547 3597 1 14 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.779 2.147 19547 3598 1 14 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.702 -3.857 19547 3599 1 14 . 1 1 40 40 VAL H H 40 8.002 8.002 7.394 0.608 19547 3600 1 14 . 1 1 41 41 ALA N N 41 133.626 133.626 125.342 8.284 19547 3601 1 14 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.965 -0.527 19547 3602 1 14 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.489 0.703 19547 3603 1 14 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.267 -1.217 19547 3604 1 14 . 1 1 41 41 ALA H H 41 8.884 8.884 8.248 0.636 19547 3605 1 14 . 1 1 42 42 VAL N N 42 124.906 124.906 117.714 7.192 19547 3606 1 14 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.336 0.066 19547 3607 1 14 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.854 -1.293 19547 3608 1 14 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.939 0.672 19547 3609 1 14 . 1 1 42 42 VAL H H 42 7.812 7.812 7.600 0.212 19547 3610 1 14 . 1 1 43 43 HIS N N 43 119.082 119.082 123.922 -4.840 19547 3611 1 14 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.783 0.676 19547 3612 1 14 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.266 -1.323 19547 3613 1 14 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.162 5.218 19547 3614 1 14 . 1 1 43 43 HIS H H 43 8.652 8.652 8.276 0.376 19547 3615 1 14 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.363 -0.414 19547 3616 1 14 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.335 2.039 19547 3617 1 14 . 1 1 45 45 GLU N N 45 126.045 126.045 123.054 2.991 19547 3618 1 14 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.993 0.351 19547 3619 1 14 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.714 0.206 19547 3620 1 14 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.555 0.524 19547 3621 1 14 . 1 1 45 45 GLU H H 45 7.873 7.873 8.972 -1.099 19547 3622 1 14 . 1 1 46 46 GLU N N 46 118.418 118.418 118.022 0.396 19547 3623 1 14 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.148 0.100 19547 3624 1 14 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.731 0.036 19547 3625 1 14 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.361 -2.136 19547 3626 1 14 . 1 1 46 46 GLU H H 46 10.810 10.810 8.499 2.311 19547 3627 1 14 . 1 1 47 47 ILE N N 47 122.170 122.170 118.037 4.133 19547 3628 1 14 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.915 -0.099 19547 3629 1 14 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.187 -0.909 19547 3630 1 14 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.267 -2.784 19547 3631 1 14 . 1 1 47 47 ILE H H 47 7.221 7.221 7.689 -0.468 19547 3632 1 14 . 1 1 48 48 TYR N N 48 122.213 122.213 122.577 -0.364 19547 3633 1 14 . 1 1 48 48 TYR HA H 48 3.653 3.653 4.035 -0.382 19547 3634 1 14 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.032 -0.013 19547 3635 1 14 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.322 0.728 19547 3636 1 14 . 1 1 48 48 TYR H H 48 8.115 8.115 8.756 -0.641 19547 3637 1 14 . 1 1 49 49 GLN N N 49 115.426 115.426 116.496 -1.070 19547 3638 1 14 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.951 -0.105 19547 3639 1 14 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.127 0.319 19547 3640 1 14 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.528 -0.336 19547 3641 1 14 . 1 1 49 49 GLN H H 49 8.602 8.602 7.830 0.772 19547 3642 1 14 . 1 1 50 50 ARG N N 50 120.058 120.058 116.480 3.578 19547 3643 1 14 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.193 -0.203 19547 3644 1 14 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.221 1.792 19547 3645 1 14 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.127 0.166 19547 3646 1 14 . 1 1 50 50 ARG H H 50 7.171 7.171 7.673 -0.502 19547 3647 1 14 . 1 1 51 51 ILE N N 51 120.766 120.766 118.690 2.076 19547 3648 1 14 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.757 -0.128 19547 3649 1 14 . 1 1 51 51 ILE CA C 51 64.305 64.305 62.777 1.528 19547 3650 1 14 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.309 0.633 19547 3651 1 14 . 1 1 51 51 ILE H H 51 7.893 7.893 7.289 0.604 19547 3652 1 14 . 1 1 52 52 GLN N N 52 119.013 119.013 116.681 2.332 19547 3653 1 14 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.135 -0.313 19547 3654 1 14 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.898 1.530 19547 3655 1 14 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.437 0.843 19547 3656 1 14 . 1 1 52 52 GLN H H 52 7.907 7.907 7.455 0.452 19547 3657 1 14 . 1 1 53 53 ALA N N 53 120.605 120.605 121.260 -0.655 19547 3658 1 14 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.182 0.004 19547 3659 1 14 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.822 0.335 19547 3660 1 14 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.184 -0.540 19547 3661 1 14 . 1 1 53 53 ALA H H 53 7.592 7.592 7.052 0.540 19547 3662 1 14 . 1 1 54 54 GLY N N 54 105.866 105.866 105.391 0.475 19547 3663 1 14 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.928 0.694 19547 3664 1 14 . 1 1 54 54 GLY H H 54 7.720 7.720 7.557 0.163 19547 3665 1 14 . 1 1 55 55 LEU N N 55 120.773 120.773 114.948 5.825 19547 3666 1 14 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.763 -0.437 19547 3667 1 14 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.234 -0.130 19547 3668 1 14 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.048 0.199 19547 3669 1 14 . 1 1 55 55 LEU H H 55 7.697 7.697 7.456 0.241 19547 3670 1 14 . 1 1 56 56 THR N N 56 113.079 113.079 111.311 1.768 19547 3671 1 14 . 1 1 56 56 THR HA H 56 4.253 4.253 4.141 0.112 19547 3672 1 14 . 1 1 56 56 THR CA C 56 61.320 61.320 63.876 -2.556 19547 3673 1 14 . 1 1 56 56 THR CB C 56 69.885 69.885 68.754 1.131 19547 3674 1 14 . 1 1 56 56 THR H H 56 7.743 7.743 8.034 -0.291 19547 3675 1 14 . 1 1 57 57 ALA N N 57 127.233 127.233 122.549 4.684 19547 3676 1 14 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.600 -0.097 19547 3677 1 14 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.346 0.223 19547 3678 1 14 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.252 -0.958 19547 3679 1 14 . 1 1 57 57 ALA H H 57 8.072 8.072 7.440 0.632 19547 3680 1 14 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.216 0.098 19547 3681 1 14 . 1 1 58 58 PRO CA C 58 63.364 63.364 64.114 -0.750 19547 3682 1 14 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.104 -0.248 19547 3683 1 15 . 1 1 2 2 LEU N N 2 125.858 125.858 126.729 -0.871 19547 3684 1 15 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.821 -0.233 19547 3685 1 15 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.101 -0.924 19547 3686 1 15 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.901 -0.518 19547 3687 1 15 . 1 1 2 2 LEU H H 2 8.415 8.415 8.494 -0.079 19547 3688 1 15 . 1 1 3 3 ILE N N 3 130.863 130.863 124.201 6.662 19547 3689 1 15 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.404 0.449 19547 3690 1 15 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.994 -0.675 19547 3691 1 15 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.026 -0.976 19547 3692 1 15 . 1 1 3 3 ILE H H 3 10.198 10.198 8.305 1.893 19547 3693 1 15 . 1 1 4 4 LEU N N 4 123.561 123.561 125.946 -2.385 19547 3694 1 15 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.672 -0.129 19547 3695 1 15 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.828 -1.421 19547 3696 1 15 . 1 1 4 4 LEU CB C 4 46.350 46.350 45.022 1.328 19547 3697 1 15 . 1 1 4 4 LEU H H 4 8.846 8.846 8.275 0.571 19547 3698 1 15 . 1 1 5 5 THR N N 5 123.256 123.256 116.892 6.364 19547 3699 1 15 . 1 1 5 5 THR HA H 5 5.469 5.469 4.762 0.707 19547 3700 1 15 . 1 1 5 5 THR CA C 5 60.415 60.415 61.565 -1.150 19547 3701 1 15 . 1 1 5 5 THR CB C 5 69.449 69.449 69.582 -0.133 19547 3702 1 15 . 1 1 5 5 THR H H 5 9.094 9.094 8.207 0.887 19547 3703 1 15 . 1 1 6 6 ARG N N 6 123.316 123.316 123.875 -0.559 19547 3704 1 15 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.573 0.336 19547 3705 1 15 . 1 1 6 6 ARG CA C 6 55.056 55.056 55.134 -0.078 19547 3706 1 15 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.283 5.437 19547 3707 1 15 . 1 1 6 6 ARG H H 6 9.161 9.161 8.369 0.792 19547 3708 1 15 . 1 1 7 7 LYS N N 7 122.466 122.466 120.858 1.608 19547 3709 1 15 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.617 0.596 19547 3710 1 15 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.199 -1.175 19547 3711 1 15 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.713 -1.804 19547 3712 1 15 . 1 1 7 7 LYS H H 7 9.295 9.295 8.548 0.747 19547 3713 1 15 . 1 1 8 8 VAL N N 8 118.123 118.123 120.287 -2.164 19547 3714 1 15 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.996 -0.718 19547 3715 1 15 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.217 2.697 19547 3716 1 15 . 1 1 8 8 VAL CB C 8 31.589 31.589 31.094 0.495 19547 3717 1 15 . 1 1 8 8 VAL H H 8 7.576 7.576 8.344 -0.768 19547 3718 1 15 . 1 1 9 9 GLY N N 9 116.005 116.005 114.766 1.239 19547 3719 1 15 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.869 -0.287 19547 3720 1 15 . 1 1 9 9 GLY H H 9 9.255 9.255 9.198 0.057 19547 3721 1 15 . 1 1 10 10 GLU N N 10 119.485 119.485 119.483 0.002 19547 3722 1 15 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.782 0.100 19547 3723 1 15 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.144 1.548 19547 3724 1 15 . 1 1 10 10 GLU CB C 10 32.583 32.583 33.084 -0.500 19547 3725 1 15 . 1 1 10 10 GLU H H 10 8.364 8.364 7.894 0.470 19547 3726 1 15 . 1 1 11 11 SER N N 11 112.365 112.365 113.377 -1.012 19547 3727 1 15 . 1 1 11 11 SER HA H 11 5.866 5.866 5.347 0.519 19547 3728 1 15 . 1 1 11 11 SER CA C 11 57.942 57.942 57.109 0.833 19547 3729 1 15 . 1 1 11 11 SER CB C 11 67.035 67.035 66.050 0.985 19547 3730 1 15 . 1 1 11 11 SER H H 11 8.620 8.620 8.364 0.256 19547 3731 1 15 . 1 1 12 12 ILE N N 12 124.398 124.398 120.477 3.921 19547 3732 1 15 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.514 -0.172 19547 3733 1 15 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.255 0.644 19547 3734 1 15 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.343 0.449 19547 3735 1 15 . 1 1 12 12 ILE H H 12 9.260 9.260 8.868 0.392 19547 3736 1 15 . 1 1 13 13 ASN N N 13 126.218 126.218 121.027 5.191 19547 3737 1 15 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.103 -0.079 19547 3738 1 15 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.484 0.835 19547 3739 1 15 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.704 -0.242 19547 3740 1 15 . 1 1 13 13 ASN H H 13 9.364 9.364 8.507 0.857 19547 3741 1 15 . 1 1 14 14 ILE N N 14 123.971 123.971 121.522 2.449 19547 3742 1 15 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.449 0.007 19547 3743 1 15 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.732 -0.161 19547 3744 1 15 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.313 -2.789 19547 3745 1 15 . 1 1 14 14 ILE H H 14 8.451 8.451 8.461 -0.010 19547 3746 1 15 . 1 1 15 15 GLY N N 15 115.306 115.306 114.042 1.264 19547 3747 1 15 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.015 0.045 19547 3748 1 15 . 1 1 15 15 GLY H H 15 9.075 9.075 8.576 0.499 19547 3749 1 15 . 1 1 16 16 ASP N N 16 120.409 120.409 120.882 -0.473 19547 3750 1 15 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.702 0.207 19547 3751 1 15 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.078 1.279 19547 3752 1 15 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.303 0.967 19547 3753 1 15 . 1 1 16 16 ASP H H 16 8.713 8.713 8.340 0.373 19547 3754 1 15 . 1 1 17 17 ASP N N 17 115.565 115.565 119.985 -4.420 19547 3755 1 15 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.899 -0.170 19547 3756 1 15 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.644 -0.521 19547 3757 1 15 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.688 -1.170 19547 3758 1 15 . 1 1 17 17 ASP H H 17 8.149 8.149 7.904 0.245 19547 3759 1 15 . 1 1 18 18 ILE N N 18 118.660 118.660 119.738 -1.078 19547 3760 1 15 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.119 0.059 19547 3761 1 15 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.128 0.026 19547 3762 1 15 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.307 -2.695 19547 3763 1 15 . 1 1 18 18 ILE H H 18 7.181 7.181 7.740 -0.559 19547 3764 1 15 . 1 1 19 19 THR N N 19 122.893 122.893 120.616 2.277 19547 3765 1 15 . 1 1 19 19 THR HA H 19 5.104 5.104 5.069 0.035 19547 3766 1 15 . 1 1 19 19 THR CA C 19 60.949 60.949 61.392 -0.443 19547 3767 1 15 . 1 1 19 19 THR CB C 19 71.669 71.669 72.501 -0.832 19547 3768 1 15 . 1 1 19 19 THR H H 19 8.922 8.922 8.431 0.491 19547 3769 1 15 . 1 1 20 20 ILE N N 20 123.852 123.852 121.731 2.121 19547 3770 1 15 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.898 -0.057 19547 3771 1 15 . 1 1 20 20 ILE CA C 20 58.930 58.930 58.971 -0.041 19547 3772 1 15 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.763 -1.463 19547 3773 1 15 . 1 1 20 20 ILE H H 20 8.930 8.930 9.188 -0.258 19547 3774 1 15 . 1 1 21 21 THR N N 21 123.855 123.855 120.741 3.114 19547 3775 1 15 . 1 1 21 21 THR HA H 21 4.821 4.821 4.906 -0.085 19547 3776 1 15 . 1 1 21 21 THR CA C 21 61.436 61.436 62.078 -0.642 19547 3777 1 15 . 1 1 21 21 THR CB C 21 71.939 71.939 71.593 0.346 19547 3778 1 15 . 1 1 21 21 THR H H 21 9.372 9.372 8.760 0.612 19547 3779 1 15 . 1 1 22 22 ILE N N 22 125.561 125.561 128.544 -2.983 19547 3780 1 15 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.380 -0.288 19547 3781 1 15 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.630 0.473 19547 3782 1 15 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.711 -3.859 19547 3783 1 15 . 1 1 22 22 ILE H H 22 8.107 8.107 8.498 -0.391 19547 3784 1 15 . 1 1 23 23 LEU N N 23 129.208 129.208 129.768 -0.560 19547 3785 1 15 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.196 0.071 19547 3786 1 15 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.870 -0.380 19547 3787 1 15 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.797 0.436 19547 3788 1 15 . 1 1 23 23 LEU H H 23 8.910 8.910 8.177 0.733 19547 3789 1 15 . 1 1 24 24 GLY N N 24 104.396 104.396 104.456 -0.060 19547 3790 1 15 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.746 1.222 19547 3791 1 15 . 1 1 24 24 GLY H H 24 7.493 7.493 7.590 -0.097 19547 3792 1 15 . 1 1 25 25 VAL N N 25 120.463 120.463 115.156 5.307 19547 3793 1 15 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.588 0.033 19547 3794 1 15 . 1 1 25 25 VAL CA C 25 61.523 61.523 59.400 2.123 19547 3795 1 15 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.026 0.707 19547 3796 1 15 . 1 1 25 25 VAL H H 25 8.406 8.406 8.130 0.276 19547 3797 1 15 . 1 1 26 26 SER N N 26 121.835 121.835 117.467 4.368 19547 3798 1 15 . 1 1 26 26 SER HA H 26 4.612 4.612 4.756 -0.144 19547 3799 1 15 . 1 1 26 26 SER CA C 26 56.564 56.564 58.191 -1.627 19547 3800 1 15 . 1 1 26 26 SER CB C 26 63.858 63.858 63.980 -0.122 19547 3801 1 15 . 1 1 26 26 SER H H 26 8.545 8.545 9.001 -0.456 19547 3802 1 15 . 1 1 27 27 GLY N N 27 118.379 118.379 109.924 8.455 19547 3803 1 15 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.910 2.518 19547 3804 1 15 . 1 1 27 27 GLY H H 27 8.714 8.714 8.279 0.435 19547 3805 1 15 . 1 1 28 28 GLN N N 28 124.776 124.776 122.101 2.675 19547 3806 1 15 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.335 -0.046 19547 3807 1 15 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.535 -1.536 19547 3808 1 15 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.628 1.315 19547 3809 1 15 . 1 1 28 28 GLN H H 28 9.208 9.208 8.526 0.682 19547 3810 1 15 . 1 1 29 29 GLN N N 29 118.507 118.507 117.544 0.963 19547 3811 1 15 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.591 -0.019 19547 3812 1 15 . 1 1 29 29 GLN CB C 29 31.386 31.386 31.137 0.249 19547 3813 1 15 . 1 1 29 29 GLN H H 29 8.423 8.423 7.646 0.777 19547 3814 1 15 . 1 1 30 30 VAL N N 30 126.854 126.854 120.353 6.501 19547 3815 1 15 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.332 0.224 19547 3816 1 15 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.343 -0.732 19547 3817 1 15 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.362 -1.069 19547 3818 1 15 . 1 1 30 30 VAL H H 30 9.304 9.304 8.392 0.912 19547 3819 1 15 . 1 1 31 31 ARG N N 31 127.878 127.878 125.692 2.186 19547 3820 1 15 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.826 -0.217 19547 3821 1 15 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.997 0.571 19547 3822 1 15 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.141 -1.610 19547 3823 1 15 . 1 1 31 31 ARG H H 31 8.683 8.683 8.995 -0.312 19547 3824 1 15 . 1 1 32 32 ILE N N 32 127.071 127.071 123.396 3.675 19547 3825 1 15 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.508 -1.853 19547 3826 1 15 . 1 1 32 32 ILE H H 32 8.958 8.958 8.534 0.424 19547 3827 1 15 . 1 1 33 33 GLY N N 33 112.801 112.801 112.368 0.433 19547 3828 1 15 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.622 0.953 19547 3829 1 15 . 1 1 33 33 GLY H H 33 9.114 9.114 8.995 0.119 19547 3830 1 15 . 1 1 34 34 ILE N N 34 125.117 125.117 118.979 6.138 19547 3831 1 15 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.726 0.077 19547 3832 1 15 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.307 0.486 19547 3833 1 15 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.304 -1.205 19547 3834 1 15 . 1 1 34 34 ILE H H 34 9.566 9.566 8.116 1.450 19547 3835 1 15 . 1 1 35 35 ASN N N 35 129.274 129.274 123.846 5.428 19547 3836 1 15 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.944 0.135 19547 3837 1 15 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.595 -0.409 19547 3838 1 15 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.926 0.390 19547 3839 1 15 . 1 1 35 35 ASN H H 35 8.908 8.908 8.661 0.247 19547 3840 1 15 . 1 1 36 36 ALA N N 36 125.590 125.590 127.158 -1.568 19547 3841 1 15 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.302 -0.240 19547 3842 1 15 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.359 -0.011 19547 3843 1 15 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.019 -1.118 19547 3844 1 15 . 1 1 36 36 ALA H H 36 8.241 8.241 8.052 0.189 19547 3845 1 15 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.576 -0.171 19547 3846 1 15 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.087 0.809 19547 3847 1 15 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.473 -0.071 19547 3848 1 15 . 1 1 38 38 LYS N N 38 120.951 120.951 120.543 0.408 19547 3849 1 15 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.124 -0.361 19547 3850 1 15 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.524 1.308 19547 3851 1 15 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.665 0.263 19547 3852 1 15 . 1 1 38 38 LYS H H 38 8.549 8.549 8.480 0.069 19547 3853 1 15 . 1 1 39 39 ASP N N 39 113.835 113.835 118.566 -4.731 19547 3854 1 15 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.490 -0.144 19547 3855 1 15 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.879 -0.810 19547 3856 1 15 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.114 -1.240 19547 3857 1 15 . 1 1 39 39 ASP H H 39 8.126 8.126 8.266 -0.140 19547 3858 1 15 . 1 1 40 40 VAL N N 40 122.591 122.591 114.125 8.466 19547 3859 1 15 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.467 -0.505 19547 3860 1 15 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.783 2.142 19547 3861 1 15 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.634 -3.789 19547 3862 1 15 . 1 1 40 40 VAL H H 40 8.002 8.002 7.375 0.627 19547 3863 1 15 . 1 1 41 41 ALA N N 41 133.626 133.626 126.141 7.485 19547 3864 1 15 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.936 -0.498 19547 3865 1 15 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.447 0.745 19547 3866 1 15 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.108 -1.058 19547 3867 1 15 . 1 1 41 41 ALA H H 41 8.884 8.884 8.246 0.638 19547 3868 1 15 . 1 1 42 42 VAL N N 42 124.906 124.906 118.080 6.826 19547 3869 1 15 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.389 0.013 19547 3870 1 15 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.721 -1.160 19547 3871 1 15 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.660 0.951 19547 3872 1 15 . 1 1 42 42 VAL H H 42 7.812 7.812 7.771 0.041 19547 3873 1 15 . 1 1 43 43 HIS N N 43 119.082 119.082 123.894 -4.812 19547 3874 1 15 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.782 0.677 19547 3875 1 15 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.397 -1.454 19547 3876 1 15 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.189 5.191 19547 3877 1 15 . 1 1 43 43 HIS H H 43 8.652 8.652 8.323 0.329 19547 3878 1 15 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.362 -0.413 19547 3879 1 15 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.078 2.296 19547 3880 1 15 . 1 1 45 45 GLU N N 45 126.045 126.045 123.027 3.018 19547 3881 1 15 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.045 0.299 19547 3882 1 15 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.820 0.100 19547 3883 1 15 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.474 0.606 19547 3884 1 15 . 1 1 45 45 GLU H H 45 7.873 7.873 8.996 -1.123 19547 3885 1 15 . 1 1 46 46 GLU N N 46 118.418 118.418 118.262 0.156 19547 3886 1 15 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.204 0.044 19547 3887 1 15 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.372 0.395 19547 3888 1 15 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.434 -2.209 19547 3889 1 15 . 1 1 46 46 GLU H H 46 10.810 10.810 8.507 2.303 19547 3890 1 15 . 1 1 47 47 ILE N N 47 122.170 122.170 119.824 2.346 19547 3891 1 15 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.976 -0.160 19547 3892 1 15 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.210 -0.932 19547 3893 1 15 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.599 -3.116 19547 3894 1 15 . 1 1 47 47 ILE H H 47 7.221 7.221 7.677 -0.456 19547 3895 1 15 . 1 1 48 48 TYR N N 48 122.213 122.213 122.291 -0.078 19547 3896 1 15 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.944 -0.291 19547 3897 1 15 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.967 0.053 19547 3898 1 15 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.334 0.716 19547 3899 1 15 . 1 1 48 48 TYR H H 48 8.115 8.115 8.877 -0.762 19547 3900 1 15 . 1 1 49 49 GLN N N 49 115.426 115.426 116.387 -0.961 19547 3901 1 15 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.943 -0.097 19547 3902 1 15 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.060 0.385 19547 3903 1 15 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.517 -0.325 19547 3904 1 15 . 1 1 49 49 GLN H H 49 8.602 8.602 7.847 0.755 19547 3905 1 15 . 1 1 50 50 ARG N N 50 120.058 120.058 116.534 3.524 19547 3906 1 15 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.179 -0.189 19547 3907 1 15 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.258 1.755 19547 3908 1 15 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.117 0.176 19547 3909 1 15 . 1 1 50 50 ARG H H 50 7.171 7.171 7.666 -0.495 19547 3910 1 15 . 1 1 51 51 ILE N N 51 120.766 120.766 118.571 2.195 19547 3911 1 15 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.732 -0.103 19547 3912 1 15 . 1 1 51 51 ILE CA C 51 64.305 64.305 62.670 1.635 19547 3913 1 15 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.258 0.685 19547 3914 1 15 . 1 1 51 51 ILE H H 51 7.893 7.893 7.302 0.591 19547 3915 1 15 . 1 1 52 52 GLN N N 52 119.013 119.013 116.205 2.808 19547 3916 1 15 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.079 -0.257 19547 3917 1 15 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.423 2.005 19547 3918 1 15 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.489 0.791 19547 3919 1 15 . 1 1 52 52 GLN H H 52 7.907 7.907 7.391 0.516 19547 3920 1 15 . 1 1 53 53 ALA N N 53 120.605 120.605 121.192 -0.587 19547 3921 1 15 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.165 0.021 19547 3922 1 15 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.844 0.313 19547 3923 1 15 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.142 -0.499 19547 3924 1 15 . 1 1 53 53 ALA H H 53 7.592 7.592 7.054 0.538 19547 3925 1 15 . 1 1 54 54 GLY N N 54 105.866 105.866 105.118 0.748 19547 3926 1 15 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.879 0.743 19547 3927 1 15 . 1 1 54 54 GLY H H 54 7.720 7.720 7.586 0.134 19547 3928 1 15 . 1 1 55 55 LEU N N 55 120.773 120.773 114.919 5.854 19547 3929 1 15 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.767 -0.441 19547 3930 1 15 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.005 0.099 19547 3931 1 15 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.382 -0.134 19547 3932 1 15 . 1 1 55 55 LEU H H 55 7.697 7.697 7.457 0.240 19547 3933 1 15 . 1 1 56 56 THR N N 56 113.079 113.079 111.493 1.586 19547 3934 1 15 . 1 1 56 56 THR HA H 56 4.253 4.253 4.111 0.142 19547 3935 1 15 . 1 1 56 56 THR CA C 56 61.320 61.320 64.066 -2.746 19547 3936 1 15 . 1 1 56 56 THR CB C 56 69.885 69.885 68.782 1.103 19547 3937 1 15 . 1 1 56 56 THR H H 56 7.743 7.743 8.127 -0.384 19547 3938 1 15 . 1 1 57 57 ALA N N 57 127.233 127.233 123.738 3.495 19547 3939 1 15 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.596 -0.093 19547 3940 1 15 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.195 0.374 19547 3941 1 15 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.325 -1.030 19547 3942 1 15 . 1 1 57 57 ALA H H 57 8.072 8.072 7.648 0.424 19547 3943 1 15 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.359 -0.045 19547 3944 1 15 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.260 1.104 19547 3945 1 15 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.392 -0.536 19547 3946 1 16 . 1 1 2 2 LEU N N 2 125.858 125.858 127.269 -1.411 19547 3947 1 16 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.937 -0.349 19547 3948 1 16 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.477 -0.300 19547 3949 1 16 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.446 -1.063 19547 3950 1 16 . 1 1 2 2 LEU H H 2 8.415 8.415 8.578 -0.163 19547 3951 1 16 . 1 1 3 3 ILE N N 3 130.863 130.863 125.197 5.666 19547 3952 1 16 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.523 0.330 19547 3953 1 16 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.691 -0.372 19547 3954 1 16 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.674 -1.623 19547 3955 1 16 . 1 1 3 3 ILE H H 3 10.198 10.198 8.298 1.900 19547 3956 1 16 . 1 1 4 4 LEU N N 4 123.561 123.561 125.770 -2.209 19547 3957 1 16 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.677 -0.134 19547 3958 1 16 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.857 -1.450 19547 3959 1 16 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.907 1.442 19547 3960 1 16 . 1 1 4 4 LEU H H 4 8.846 8.846 8.269 0.577 19547 3961 1 16 . 1 1 5 5 THR N N 5 123.256 123.256 116.584 6.672 19547 3962 1 16 . 1 1 5 5 THR HA H 5 5.469 5.469 4.740 0.729 19547 3963 1 16 . 1 1 5 5 THR CA C 5 60.415 60.415 61.548 -1.133 19547 3964 1 16 . 1 1 5 5 THR CB C 5 69.449 69.449 69.722 -0.273 19547 3965 1 16 . 1 1 5 5 THR H H 5 9.094 9.094 8.225 0.869 19547 3966 1 16 . 1 1 6 6 ARG N N 6 123.316 123.316 123.770 -0.454 19547 3967 1 16 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.593 0.316 19547 3968 1 16 . 1 1 6 6 ARG CA C 6 55.056 55.056 55.025 0.031 19547 3969 1 16 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.055 5.665 19547 3970 1 16 . 1 1 6 6 ARG H H 6 9.161 9.161 8.437 0.724 19547 3971 1 16 . 1 1 7 7 LYS N N 7 122.466 122.466 120.942 1.524 19547 3972 1 16 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.612 0.601 19547 3973 1 16 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.244 -1.220 19547 3974 1 16 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.697 -1.788 19547 3975 1 16 . 1 1 7 7 LYS H H 7 9.295 9.295 8.562 0.733 19547 3976 1 16 . 1 1 8 8 VAL N N 8 118.123 118.123 120.493 -2.370 19547 3977 1 16 . 1 1 8 8 VAL HA H 8 3.278 3.278 4.010 -0.732 19547 3978 1 16 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.261 2.653 19547 3979 1 16 . 1 1 8 8 VAL CB C 8 31.589 31.589 31.060 0.529 19547 3980 1 16 . 1 1 8 8 VAL H H 8 7.576 7.576 8.361 -0.785 19547 3981 1 16 . 1 1 9 9 GLY N N 9 116.005 116.005 114.835 1.170 19547 3982 1 16 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.841 -0.259 19547 3983 1 16 . 1 1 9 9 GLY H H 9 9.255 9.255 9.252 0.003 19547 3984 1 16 . 1 1 10 10 GLU N N 10 119.485 119.485 119.620 -0.135 19547 3985 1 16 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.812 0.070 19547 3986 1 16 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.240 1.452 19547 3987 1 16 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.596 -0.013 19547 3988 1 16 . 1 1 10 10 GLU H H 10 8.364 8.364 7.927 0.437 19547 3989 1 16 . 1 1 11 11 SER N N 11 112.365 112.365 113.689 -1.324 19547 3990 1 16 . 1 1 11 11 SER HA H 11 5.866 5.866 5.369 0.497 19547 3991 1 16 . 1 1 11 11 SER CA C 11 57.942 57.942 57.209 0.733 19547 3992 1 16 . 1 1 11 11 SER CB C 11 67.035 67.035 66.296 0.739 19547 3993 1 16 . 1 1 11 11 SER H H 11 8.620 8.620 8.408 0.212 19547 3994 1 16 . 1 1 12 12 ILE N N 12 124.398 124.398 120.029 4.369 19547 3995 1 16 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.510 -0.168 19547 3996 1 16 . 1 1 12 12 ILE CA C 12 59.899 59.899 60.219 -0.320 19547 3997 1 16 . 1 1 12 12 ILE CB C 12 42.791 42.791 43.017 -0.226 19547 3998 1 16 . 1 1 12 12 ILE H H 12 9.260 9.260 8.862 0.398 19547 3999 1 16 . 1 1 13 13 ASN N N 13 126.218 126.218 121.486 4.732 19547 4000 1 16 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.142 -0.118 19547 4001 1 16 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.168 1.151 19547 4002 1 16 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.806 -0.344 19547 4003 1 16 . 1 1 13 13 ASN H H 13 9.364 9.364 8.425 0.939 19547 4004 1 16 . 1 1 14 14 ILE N N 14 123.971 123.971 120.898 3.073 19547 4005 1 16 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.398 0.058 19547 4006 1 16 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.799 -0.228 19547 4007 1 16 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.329 -2.805 19547 4008 1 16 . 1 1 14 14 ILE H H 14 8.451 8.451 8.458 -0.007 19547 4009 1 16 . 1 1 15 15 GLY N N 15 115.306 115.306 114.362 0.944 19547 4010 1 16 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.042 0.018 19547 4011 1 16 . 1 1 15 15 GLY H H 15 9.075 9.075 8.577 0.498 19547 4012 1 16 . 1 1 16 16 ASP N N 16 120.409 120.409 120.976 -0.567 19547 4013 1 16 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.702 0.207 19547 4014 1 16 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.072 1.286 19547 4015 1 16 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.305 0.965 19547 4016 1 16 . 1 1 16 16 ASP H H 16 8.713 8.713 8.341 0.372 19547 4017 1 16 . 1 1 17 17 ASP N N 17 115.565 115.565 119.978 -4.413 19547 4018 1 16 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.898 -0.169 19547 4019 1 16 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.674 -0.551 19547 4020 1 16 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.720 -1.202 19547 4021 1 16 . 1 1 17 17 ASP H H 17 8.149 8.149 7.863 0.286 19547 4022 1 16 . 1 1 18 18 ILE N N 18 118.660 118.660 119.661 -1.001 19547 4023 1 16 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.083 0.095 19547 4024 1 16 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.383 -0.229 19547 4025 1 16 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.339 -2.727 19547 4026 1 16 . 1 1 18 18 ILE H H 18 7.181 7.181 7.714 -0.533 19547 4027 1 16 . 1 1 19 19 THR N N 19 122.893 122.893 120.470 2.423 19547 4028 1 16 . 1 1 19 19 THR HA H 19 5.104 5.104 5.003 0.101 19547 4029 1 16 . 1 1 19 19 THR CA C 19 60.949 60.949 61.366 -0.417 19547 4030 1 16 . 1 1 19 19 THR CB C 19 71.669 71.669 72.156 -0.488 19547 4031 1 16 . 1 1 19 19 THR H H 19 8.922 8.922 8.447 0.475 19547 4032 1 16 . 1 1 20 20 ILE N N 20 123.852 123.852 121.355 2.497 19547 4033 1 16 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.980 -0.139 19547 4034 1 16 . 1 1 20 20 ILE CA C 20 58.930 58.930 58.943 -0.013 19547 4035 1 16 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.982 -1.682 19547 4036 1 16 . 1 1 20 20 ILE H H 20 8.930 8.930 9.150 -0.220 19547 4037 1 16 . 1 1 21 21 THR N N 21 123.855 123.855 120.358 3.497 19547 4038 1 16 . 1 1 21 21 THR HA H 21 4.821 4.821 4.944 -0.123 19547 4039 1 16 . 1 1 21 21 THR CA C 21 61.436 61.436 61.768 -0.332 19547 4040 1 16 . 1 1 21 21 THR CB C 21 71.939 71.939 71.943 -0.004 19547 4041 1 16 . 1 1 21 21 THR H H 21 9.372 9.372 8.702 0.670 19547 4042 1 16 . 1 1 22 22 ILE N N 22 125.561 125.561 128.737 -3.176 19547 4043 1 16 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.400 -0.308 19547 4044 1 16 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.511 0.592 19547 4045 1 16 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.527 -3.675 19547 4046 1 16 . 1 1 22 22 ILE H H 22 8.107 8.107 8.533 -0.426 19547 4047 1 16 . 1 1 23 23 LEU N N 23 129.208 129.208 129.678 -0.470 19547 4048 1 16 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.204 0.063 19547 4049 1 16 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.856 -0.366 19547 4050 1 16 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.796 0.437 19547 4051 1 16 . 1 1 23 23 LEU H H 23 8.910 8.910 8.183 0.727 19547 4052 1 16 . 1 1 24 24 GLY N N 24 104.396 104.396 104.355 0.041 19547 4053 1 16 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.857 1.111 19547 4054 1 16 . 1 1 24 24 GLY H H 24 7.493 7.493 7.627 -0.134 19547 4055 1 16 . 1 1 25 25 VAL N N 25 120.463 120.463 116.474 3.989 19547 4056 1 16 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.664 -0.043 19547 4057 1 16 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.560 2.963 19547 4058 1 16 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.121 0.612 19547 4059 1 16 . 1 1 25 25 VAL H H 25 8.406 8.406 8.190 0.216 19547 4060 1 16 . 1 1 26 26 SER N N 26 121.835 121.835 117.386 4.449 19547 4061 1 16 . 1 1 26 26 SER HA H 26 4.612 4.612 4.675 -0.063 19547 4062 1 16 . 1 1 26 26 SER CA C 26 56.564 56.564 58.062 -1.498 19547 4063 1 16 . 1 1 26 26 SER CB C 26 63.858 63.858 63.156 0.702 19547 4064 1 16 . 1 1 26 26 SER H H 26 8.545 8.545 8.931 -0.386 19547 4065 1 16 . 1 1 27 27 GLY N N 27 118.379 118.379 110.210 8.169 19547 4066 1 16 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.932 2.495 19547 4067 1 16 . 1 1 27 27 GLY H H 27 8.714 8.714 8.327 0.387 19547 4068 1 16 . 1 1 28 28 GLN N N 28 124.776 124.776 122.116 2.660 19547 4069 1 16 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.352 -0.063 19547 4070 1 16 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.440 -1.440 19547 4071 1 16 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.602 1.342 19547 4072 1 16 . 1 1 28 28 GLN H H 28 9.208 9.208 8.532 0.676 19547 4073 1 16 . 1 1 29 29 GLN N N 29 118.507 118.507 117.556 0.951 19547 4074 1 16 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.601 -0.029 19547 4075 1 16 . 1 1 29 29 GLN CB C 29 31.386 31.386 31.404 -0.018 19547 4076 1 16 . 1 1 29 29 GLN H H 29 8.423 8.423 7.678 0.745 19547 4077 1 16 . 1 1 30 30 VAL N N 30 126.854 126.854 120.267 6.587 19547 4078 1 16 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.333 0.223 19547 4079 1 16 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.139 -0.528 19547 4080 1 16 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.060 -0.767 19547 4081 1 16 . 1 1 30 30 VAL H H 30 9.304 9.304 8.307 0.997 19547 4082 1 16 . 1 1 31 31 ARG N N 31 127.878 127.878 125.748 2.130 19547 4083 1 16 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.803 -0.194 19547 4084 1 16 . 1 1 31 31 ARG CA C 31 55.568 55.568 55.030 0.538 19547 4085 1 16 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.239 -1.708 19547 4086 1 16 . 1 1 31 31 ARG H H 31 8.683 8.683 8.955 -0.272 19547 4087 1 16 . 1 1 32 32 ILE N N 32 127.071 127.071 123.603 3.468 19547 4088 1 16 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.384 -1.729 19547 4089 1 16 . 1 1 32 32 ILE H H 32 8.958 8.958 8.548 0.410 19547 4090 1 16 . 1 1 33 33 GLY N N 33 112.801 112.801 112.924 -0.123 19547 4091 1 16 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.635 0.940 19547 4092 1 16 . 1 1 33 33 GLY H H 33 9.114 9.114 9.010 0.104 19547 4093 1 16 . 1 1 34 34 ILE N N 34 125.117 125.117 119.082 6.035 19547 4094 1 16 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.736 0.067 19547 4095 1 16 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.304 0.489 19547 4096 1 16 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.270 -1.171 19547 4097 1 16 . 1 1 34 34 ILE H H 34 9.566 9.566 8.110 1.456 19547 4098 1 16 . 1 1 35 35 ASN N N 35 129.274 129.274 123.921 5.353 19547 4099 1 16 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.939 0.140 19547 4100 1 16 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.623 -0.437 19547 4101 1 16 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.919 0.397 19547 4102 1 16 . 1 1 35 35 ASN H H 35 8.908 8.908 8.645 0.263 19547 4103 1 16 . 1 1 36 36 ALA N N 36 125.590 125.590 127.005 -1.415 19547 4104 1 16 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.306 -0.244 19547 4105 1 16 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.281 0.068 19547 4106 1 16 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.009 -1.107 19547 4107 1 16 . 1 1 36 36 ALA H H 36 8.241 8.241 8.036 0.205 19547 4108 1 16 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.561 -0.156 19547 4109 1 16 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.155 0.741 19547 4110 1 16 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.470 -0.068 19547 4111 1 16 . 1 1 38 38 LYS N N 38 120.951 120.951 120.650 0.301 19547 4112 1 16 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.137 -0.374 19547 4113 1 16 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.669 1.163 19547 4114 1 16 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.732 0.196 19547 4115 1 16 . 1 1 38 38 LYS H H 38 8.549 8.549 8.566 -0.017 19547 4116 1 16 . 1 1 39 39 ASP N N 39 113.835 113.835 118.923 -5.088 19547 4117 1 16 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.493 -0.147 19547 4118 1 16 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.181 -1.112 19547 4119 1 16 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.978 -1.105 19547 4120 1 16 . 1 1 39 39 ASP H H 39 8.126 8.126 8.391 -0.265 19547 4121 1 16 . 1 1 40 40 VAL N N 40 122.591 122.591 114.746 7.845 19547 4122 1 16 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.427 -0.465 19547 4123 1 16 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.791 2.134 19547 4124 1 16 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.131 -3.286 19547 4125 1 16 . 1 1 40 40 VAL H H 40 8.002 8.002 7.509 0.493 19547 4126 1 16 . 1 1 41 41 ALA N N 41 133.626 133.626 126.622 7.004 19547 4127 1 16 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.917 -0.479 19547 4128 1 16 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.300 0.891 19547 4129 1 16 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.977 -0.927 19547 4130 1 16 . 1 1 41 41 ALA H H 41 8.884 8.884 8.265 0.619 19547 4131 1 16 . 1 1 42 42 VAL N N 42 124.906 124.906 118.071 6.835 19547 4132 1 16 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.373 0.029 19547 4133 1 16 . 1 1 42 42 VAL CA C 42 60.561 60.561 60.875 -0.314 19547 4134 1 16 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.748 0.863 19547 4135 1 16 . 1 1 42 42 VAL H H 42 7.812 7.812 7.676 0.136 19547 4136 1 16 . 1 1 43 43 HIS N N 43 119.082 119.082 123.896 -4.814 19547 4137 1 16 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.778 0.681 19547 4138 1 16 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.150 -1.207 19547 4139 1 16 . 1 1 43 43 HIS CB C 43 37.380 37.380 31.881 5.499 19547 4140 1 16 . 1 1 43 43 HIS H H 43 8.652 8.652 8.192 0.460 19547 4141 1 16 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.340 -0.391 19547 4142 1 16 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.966 2.408 19547 4143 1 16 . 1 1 45 45 GLU N N 45 126.045 126.045 122.222 3.823 19547 4144 1 16 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.069 0.275 19547 4145 1 16 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.559 0.361 19547 4146 1 16 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.432 0.648 19547 4147 1 16 . 1 1 45 45 GLU H H 45 7.873 7.873 8.946 -1.073 19547 4148 1 16 . 1 1 46 46 GLU N N 46 118.418 118.418 118.042 0.376 19547 4149 1 16 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.184 0.064 19547 4150 1 16 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.880 -0.114 19547 4151 1 16 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.305 -2.079 19547 4152 1 16 . 1 1 46 46 GLU H H 46 10.810 10.810 8.554 2.256 19547 4153 1 16 . 1 1 47 47 ILE N N 47 122.170 122.170 118.566 3.604 19547 4154 1 16 . 1 1 47 47 ILE HA H 47 3.816 3.816 4.015 -0.199 19547 4155 1 16 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.090 -0.812 19547 4156 1 16 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.627 -3.144 19547 4157 1 16 . 1 1 47 47 ILE H H 47 7.221 7.221 7.589 -0.368 19547 4158 1 16 . 1 1 48 48 TYR N N 48 122.213 122.213 122.416 -0.203 19547 4159 1 16 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.975 -0.322 19547 4160 1 16 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.959 0.061 19547 4161 1 16 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.285 0.765 19547 4162 1 16 . 1 1 48 48 TYR H H 48 8.115 8.115 8.894 -0.779 19547 4163 1 16 . 1 1 49 49 GLN N N 49 115.426 115.426 116.376 -0.950 19547 4164 1 16 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.940 -0.094 19547 4165 1 16 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.032 0.413 19547 4166 1 16 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.547 -0.355 19547 4167 1 16 . 1 1 49 49 GLN H H 49 8.602 8.602 7.816 0.786 19547 4168 1 16 . 1 1 50 50 ARG N N 50 120.058 120.058 116.515 3.543 19547 4169 1 16 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.172 -0.182 19547 4170 1 16 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.226 1.787 19547 4171 1 16 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.155 0.138 19547 4172 1 16 . 1 1 50 50 ARG H H 50 7.171 7.171 7.646 -0.475 19547 4173 1 16 . 1 1 51 51 ILE N N 51 120.766 120.766 118.532 2.234 19547 4174 1 16 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.754 -0.125 19547 4175 1 16 . 1 1 51 51 ILE CA C 51 64.305 64.305 62.737 1.568 19547 4176 1 16 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.315 0.628 19547 4177 1 16 . 1 1 51 51 ILE H H 51 7.893 7.893 7.078 0.815 19547 4178 1 16 . 1 1 52 52 GLN N N 52 119.013 119.013 117.514 1.499 19547 4179 1 16 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.019 -0.197 19547 4180 1 16 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.250 1.178 19547 4181 1 16 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.221 1.059 19547 4182 1 16 . 1 1 52 52 GLN H H 52 7.907 7.907 7.346 0.560 19547 4183 1 16 . 1 1 53 53 ALA N N 53 120.605 120.605 120.849 -0.244 19547 4184 1 16 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.149 0.037 19547 4185 1 16 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.080 0.077 19547 4186 1 16 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.868 -0.224 19547 4187 1 16 . 1 1 53 53 ALA H H 53 7.592 7.592 7.851 -0.259 19547 4188 1 16 . 1 1 54 54 GLY N N 54 105.866 105.866 104.341 1.525 19547 4189 1 16 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.945 0.677 19547 4190 1 16 . 1 1 54 54 GLY H H 54 7.720 7.720 7.725 -0.005 19547 4191 1 16 . 1 1 55 55 LEU N N 55 120.773 120.773 116.160 4.613 19547 4192 1 16 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.980 -0.654 19547 4193 1 16 . 1 1 55 55 LEU CA C 55 55.105 55.105 53.990 1.115 19547 4194 1 16 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.494 -0.247 19547 4195 1 16 . 1 1 55 55 LEU H H 55 7.697 7.697 7.707 -0.010 19547 4196 1 16 . 1 1 56 56 THR N N 56 113.079 113.079 112.770 0.309 19547 4197 1 16 . 1 1 56 56 THR HA H 56 4.253 4.253 4.433 -0.180 19547 4198 1 16 . 1 1 56 56 THR CA C 56 61.320 61.320 62.141 -0.821 19547 4199 1 16 . 1 1 56 56 THR CB C 56 69.885 69.885 69.770 0.115 19547 4200 1 16 . 1 1 56 56 THR H H 56 7.743 7.743 8.307 -0.564 19547 4201 1 16 . 1 1 57 57 ALA N N 57 127.233 127.233 125.295 1.938 19547 4202 1 16 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.752 -0.249 19547 4203 1 16 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.521 0.048 19547 4204 1 16 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.662 -1.368 19547 4205 1 16 . 1 1 57 57 ALA H H 57 8.072 8.072 7.702 0.370 19547 4206 1 16 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.399 -0.085 19547 4207 1 16 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.360 1.004 19547 4208 1 16 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.409 -0.553 19547 4209 1 17 . 1 1 2 2 LEU N N 2 125.858 125.858 126.971 -1.113 19547 4210 1 17 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.858 -0.270 19547 4211 1 17 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.812 -0.635 19547 4212 1 17 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.909 -0.526 19547 4213 1 17 . 1 1 2 2 LEU H H 2 8.415 8.415 8.475 -0.060 19547 4214 1 17 . 1 1 3 3 ILE N N 3 130.863 130.863 123.017 7.846 19547 4215 1 17 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.484 0.369 19547 4216 1 17 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.752 -0.433 19547 4217 1 17 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.730 -1.679 19547 4218 1 17 . 1 1 3 3 ILE H H 3 10.198 10.198 8.310 1.888 19547 4219 1 17 . 1 1 4 4 LEU N N 4 123.561 123.561 125.290 -1.729 19547 4220 1 17 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.689 -0.146 19547 4221 1 17 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.905 -1.498 19547 4222 1 17 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.914 1.436 19547 4223 1 17 . 1 1 4 4 LEU H H 4 8.846 8.846 8.371 0.475 19547 4224 1 17 . 1 1 5 5 THR N N 5 123.256 123.256 117.520 5.736 19547 4225 1 17 . 1 1 5 5 THR HA H 5 5.469 5.469 4.763 0.706 19547 4226 1 17 . 1 1 5 5 THR CA C 5 60.415 60.415 61.520 -1.105 19547 4227 1 17 . 1 1 5 5 THR CB C 5 69.449 69.449 69.615 -0.166 19547 4228 1 17 . 1 1 5 5 THR H H 5 9.094 9.094 8.275 0.819 19547 4229 1 17 . 1 1 6 6 ARG N N 6 123.316 123.316 122.333 0.983 19547 4230 1 17 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.979 -0.070 19547 4231 1 17 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.815 0.241 19547 4232 1 17 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.510 5.210 19547 4233 1 17 . 1 1 6 6 ARG H H 6 9.161 9.161 8.436 0.725 19547 4234 1 17 . 1 1 7 7 LYS N N 7 122.466 122.466 120.060 2.406 19547 4235 1 17 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.652 0.561 19547 4236 1 17 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.119 -1.095 19547 4237 1 17 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.315 -1.406 19547 4238 1 17 . 1 1 7 7 LYS H H 7 9.295 9.295 8.721 0.574 19547 4239 1 17 . 1 1 8 8 VAL N N 8 118.123 118.123 118.837 -0.714 19547 4240 1 17 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.781 -0.503 19547 4241 1 17 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.226 2.688 19547 4242 1 17 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.792 0.797 19547 4243 1 17 . 1 1 8 8 VAL H H 8 7.576 7.576 8.404 -0.828 19547 4244 1 17 . 1 1 9 9 GLY N N 9 116.005 116.005 115.470 0.535 19547 4245 1 17 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.801 -0.219 19547 4246 1 17 . 1 1 9 9 GLY H H 9 9.255 9.255 9.128 0.127 19547 4247 1 17 . 1 1 10 10 GLU N N 10 119.485 119.485 121.022 -1.537 19547 4248 1 17 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.639 0.243 19547 4249 1 17 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.633 0.060 19547 4250 1 17 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.191 1.392 19547 4251 1 17 . 1 1 10 10 GLU H H 10 8.364 8.364 7.993 0.371 19547 4252 1 17 . 1 1 11 11 SER N N 11 112.365 112.365 113.581 -1.216 19547 4253 1 17 . 1 1 11 11 SER HA H 11 5.866 5.866 5.476 0.390 19547 4254 1 17 . 1 1 11 11 SER CA C 11 57.942 57.942 56.867 1.075 19547 4255 1 17 . 1 1 11 11 SER CB C 11 67.035 67.035 66.641 0.394 19547 4256 1 17 . 1 1 11 11 SER H H 11 8.620 8.620 8.397 0.223 19547 4257 1 17 . 1 1 12 12 ILE N N 12 124.398 124.398 120.825 3.573 19547 4258 1 17 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.408 -0.066 19547 4259 1 17 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.653 0.246 19547 4260 1 17 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.611 0.180 19547 4261 1 17 . 1 1 12 12 ILE H H 12 9.260 9.260 9.015 0.245 19547 4262 1 17 . 1 1 13 13 ASN N N 13 126.218 126.218 120.941 5.277 19547 4263 1 17 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.124 -0.100 19547 4264 1 17 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.466 0.853 19547 4265 1 17 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.481 -0.019 19547 4266 1 17 . 1 1 13 13 ASN H H 13 9.364 9.364 8.508 0.856 19547 4267 1 17 . 1 1 14 14 ILE N N 14 123.971 123.971 122.242 1.729 19547 4268 1 17 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.437 0.019 19547 4269 1 17 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.682 -0.111 19547 4270 1 17 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.058 -2.534 19547 4271 1 17 . 1 1 14 14 ILE H H 14 8.451 8.451 8.512 -0.061 19547 4272 1 17 . 1 1 15 15 GLY N N 15 115.306 115.306 114.414 0.892 19547 4273 1 17 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.067 -0.007 19547 4274 1 17 . 1 1 15 15 GLY H H 15 9.075 9.075 8.588 0.487 19547 4275 1 17 . 1 1 16 16 ASP N N 16 120.409 120.409 120.916 -0.507 19547 4276 1 17 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.697 0.212 19547 4277 1 17 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.066 1.291 19547 4278 1 17 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.377 0.893 19547 4279 1 17 . 1 1 16 16 ASP H H 16 8.713 8.713 8.365 0.348 19547 4280 1 17 . 1 1 17 17 ASP N N 17 115.565 115.565 120.056 -4.491 19547 4281 1 17 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.905 -0.176 19547 4282 1 17 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.648 -0.525 19547 4283 1 17 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.640 -1.122 19547 4284 1 17 . 1 1 17 17 ASP H H 17 8.149 8.149 7.861 0.288 19547 4285 1 17 . 1 1 18 18 ILE N N 18 118.660 118.660 119.544 -0.884 19547 4286 1 17 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.070 0.108 19547 4287 1 17 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.461 -0.307 19547 4288 1 17 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.446 -2.834 19547 4289 1 17 . 1 1 18 18 ILE H H 18 7.181 7.181 7.678 -0.497 19547 4290 1 17 . 1 1 19 19 THR N N 19 122.893 122.893 120.740 2.153 19547 4291 1 17 . 1 1 19 19 THR HA H 19 5.104 5.104 5.095 0.009 19547 4292 1 17 . 1 1 19 19 THR CA C 19 60.949 60.949 61.658 -0.709 19547 4293 1 17 . 1 1 19 19 THR CB C 19 71.669 71.669 72.410 -0.741 19547 4294 1 17 . 1 1 19 19 THR H H 19 8.922 8.922 8.565 0.357 19547 4295 1 17 . 1 1 20 20 ILE N N 20 123.852 123.852 121.952 1.900 19547 4296 1 17 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.913 -0.072 19547 4297 1 17 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.221 -0.291 19547 4298 1 17 . 1 1 20 20 ILE CB C 20 40.300 40.300 42.005 -1.705 19547 4299 1 17 . 1 1 20 20 ILE H H 20 8.930 8.930 9.096 -0.166 19547 4300 1 17 . 1 1 21 21 THR N N 21 123.855 123.855 119.527 4.328 19547 4301 1 17 . 1 1 21 21 THR HA H 21 4.821 4.821 4.970 -0.149 19547 4302 1 17 . 1 1 21 21 THR CA C 21 61.436 61.436 61.559 -0.123 19547 4303 1 17 . 1 1 21 21 THR CB C 21 71.939 71.939 72.203 -0.264 19547 4304 1 17 . 1 1 21 21 THR H H 21 9.372 9.372 8.793 0.579 19547 4305 1 17 . 1 1 22 22 ILE N N 22 125.561 125.561 127.116 -1.555 19547 4306 1 17 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.443 -0.351 19547 4307 1 17 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.776 0.327 19547 4308 1 17 . 1 1 22 22 ILE CB C 22 33.852 33.852 38.208 -4.356 19547 4309 1 17 . 1 1 22 22 ILE H H 22 8.107 8.107 8.579 -0.472 19547 4310 1 17 . 1 1 23 23 LEU N N 23 129.208 129.208 129.985 -0.777 19547 4311 1 17 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.236 0.031 19547 4312 1 17 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.733 -0.243 19547 4313 1 17 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.881 0.352 19547 4314 1 17 . 1 1 23 23 LEU H H 23 8.910 8.910 8.245 0.665 19547 4315 1 17 . 1 1 24 24 GLY N N 24 104.396 104.396 104.835 -0.439 19547 4316 1 17 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.725 1.243 19547 4317 1 17 . 1 1 24 24 GLY H H 24 7.493 7.493 7.588 -0.095 19547 4318 1 17 . 1 1 25 25 VAL N N 25 120.463 120.463 115.780 4.683 19547 4319 1 17 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.678 -0.057 19547 4320 1 17 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.742 2.780 19547 4321 1 17 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.134 0.599 19547 4322 1 17 . 1 1 25 25 VAL H H 25 8.406 8.406 8.199 0.207 19547 4323 1 17 . 1 1 26 26 SER N N 26 121.835 121.835 116.531 5.304 19547 4324 1 17 . 1 1 26 26 SER HA H 26 4.612 4.612 4.706 -0.094 19547 4325 1 17 . 1 1 26 26 SER CA C 26 56.564 56.564 57.853 -1.289 19547 4326 1 17 . 1 1 26 26 SER CB C 26 63.858 63.858 63.529 0.329 19547 4327 1 17 . 1 1 26 26 SER H H 26 8.545 8.545 8.951 -0.406 19547 4328 1 17 . 1 1 27 27 GLY N N 27 118.379 118.379 109.939 8.440 19547 4329 1 17 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.908 2.519 19547 4330 1 17 . 1 1 27 27 GLY H H 27 8.714 8.714 8.289 0.425 19547 4331 1 17 . 1 1 28 28 GLN N N 28 124.776 124.776 122.180 2.596 19547 4332 1 17 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.338 -0.049 19547 4333 1 17 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.524 -1.525 19547 4334 1 17 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.671 1.273 19547 4335 1 17 . 1 1 28 28 GLN H H 28 9.208 9.208 8.534 0.674 19547 4336 1 17 . 1 1 29 29 GLN N N 29 118.507 118.507 117.782 0.725 19547 4337 1 17 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.588 -0.016 19547 4338 1 17 . 1 1 29 29 GLN CB C 29 31.386 31.386 31.196 0.190 19547 4339 1 17 . 1 1 29 29 GLN H H 29 8.423 8.423 7.744 0.679 19547 4340 1 17 . 1 1 30 30 VAL N N 30 126.854 126.854 119.883 6.971 19547 4341 1 17 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.382 0.174 19547 4342 1 17 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.200 -0.589 19547 4343 1 17 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.174 -0.881 19547 4344 1 17 . 1 1 30 30 VAL H H 30 9.304 9.304 8.327 0.977 19547 4345 1 17 . 1 1 31 31 ARG N N 31 127.878 127.878 125.278 2.600 19547 4346 1 17 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.805 -0.196 19547 4347 1 17 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.903 0.665 19547 4348 1 17 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.279 -1.748 19547 4349 1 17 . 1 1 31 31 ARG H H 31 8.683 8.683 9.014 -0.331 19547 4350 1 17 . 1 1 32 32 ILE N N 32 127.071 127.071 123.173 3.898 19547 4351 1 17 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.247 -1.592 19547 4352 1 17 . 1 1 32 32 ILE H H 32 8.958 8.958 8.546 0.412 19547 4353 1 17 . 1 1 33 33 GLY N N 33 112.801 112.801 111.934 0.867 19547 4354 1 17 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.694 0.881 19547 4355 1 17 . 1 1 33 33 GLY H H 33 9.114 9.114 8.989 0.125 19547 4356 1 17 . 1 1 34 34 ILE N N 34 125.117 125.117 119.272 5.845 19547 4357 1 17 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.707 0.096 19547 4358 1 17 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.298 0.494 19547 4359 1 17 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.352 -1.253 19547 4360 1 17 . 1 1 34 34 ILE H H 34 9.566 9.566 8.135 1.431 19547 4361 1 17 . 1 1 35 35 ASN N N 35 129.274 129.274 123.794 5.480 19547 4362 1 17 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.946 0.133 19547 4363 1 17 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.559 -0.373 19547 4364 1 17 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.945 0.371 19547 4365 1 17 . 1 1 35 35 ASN H H 35 8.908 8.908 8.747 0.161 19547 4366 1 17 . 1 1 36 36 ALA N N 36 125.590 125.590 127.146 -1.556 19547 4367 1 17 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.256 -0.194 19547 4368 1 17 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.309 0.040 19547 4369 1 17 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.991 -1.090 19547 4370 1 17 . 1 1 36 36 ALA H H 36 8.241 8.241 8.048 0.193 19547 4371 1 17 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.548 -0.143 19547 4372 1 17 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.160 0.737 19547 4373 1 17 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.444 -0.042 19547 4374 1 17 . 1 1 38 38 LYS N N 38 120.951 120.951 120.469 0.482 19547 4375 1 17 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.109 -0.346 19547 4376 1 17 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.586 1.246 19547 4377 1 17 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.670 0.258 19547 4378 1 17 . 1 1 38 38 LYS H H 38 8.549 8.549 8.494 0.055 19547 4379 1 17 . 1 1 39 39 ASP N N 39 113.835 113.835 118.588 -4.753 19547 4380 1 17 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.497 -0.151 19547 4381 1 17 . 1 1 39 39 ASP CA C 39 54.069 54.069 54.834 -0.765 19547 4382 1 17 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.094 -1.220 19547 4383 1 17 . 1 1 39 39 ASP H H 39 8.126 8.126 8.252 -0.126 19547 4384 1 17 . 1 1 40 40 VAL N N 40 122.591 122.591 114.447 8.144 19547 4385 1 17 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.454 -0.492 19547 4386 1 17 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.732 2.193 19547 4387 1 17 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.468 -3.623 19547 4388 1 17 . 1 1 40 40 VAL H H 40 8.002 8.002 7.438 0.564 19547 4389 1 17 . 1 1 41 41 ALA N N 41 133.626 133.626 126.303 7.323 19547 4390 1 17 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.922 -0.484 19547 4391 1 17 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.568 0.623 19547 4392 1 17 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.778 -0.728 19547 4393 1 17 . 1 1 41 41 ALA H H 41 8.884 8.884 8.249 0.635 19547 4394 1 17 . 1 1 42 42 VAL N N 42 124.906 124.906 118.494 6.412 19547 4395 1 17 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.383 0.019 19547 4396 1 17 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.776 -1.215 19547 4397 1 17 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.813 0.798 19547 4398 1 17 . 1 1 42 42 VAL H H 42 7.812 7.812 7.785 0.027 19547 4399 1 17 . 1 1 43 43 HIS N N 43 119.082 119.082 124.212 -5.130 19547 4400 1 17 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.855 0.604 19547 4401 1 17 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.245 -1.302 19547 4402 1 17 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.583 4.797 19547 4403 1 17 . 1 1 43 43 HIS H H 43 8.652 8.652 8.281 0.371 19547 4404 1 17 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.461 -0.512 19547 4405 1 17 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.725 2.649 19547 4406 1 17 . 1 1 45 45 GLU N N 45 126.045 126.045 121.293 4.752 19547 4407 1 17 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.066 0.278 19547 4408 1 17 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.871 0.049 19547 4409 1 17 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.218 0.862 19547 4410 1 17 . 1 1 45 45 GLU H H 45 7.873 7.873 9.031 -1.158 19547 4411 1 17 . 1 1 46 46 GLU N N 46 118.418 118.418 115.878 2.540 19547 4412 1 17 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.184 0.064 19547 4413 1 17 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.319 0.448 19547 4414 1 17 . 1 1 46 46 GLU CB C 46 27.225 27.225 28.883 -1.658 19547 4415 1 17 . 1 1 46 46 GLU H H 46 10.810 10.810 8.661 2.149 19547 4416 1 17 . 1 1 47 47 ILE N N 47 122.170 122.170 117.793 4.377 19547 4417 1 17 . 1 1 47 47 ILE HA H 47 3.816 3.816 4.037 -0.221 19547 4418 1 17 . 1 1 47 47 ILE CA C 47 61.278 61.278 61.796 -0.518 19547 4419 1 17 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.806 -3.323 19547 4420 1 17 . 1 1 47 47 ILE H H 47 7.221 7.221 7.887 -0.666 19547 4421 1 17 . 1 1 48 48 TYR N N 48 122.213 122.213 122.763 -0.550 19547 4422 1 17 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.932 -0.279 19547 4423 1 17 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.980 0.040 19547 4424 1 17 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.454 0.596 19547 4425 1 17 . 1 1 48 48 TYR H H 48 8.115 8.115 8.666 -0.551 19547 4426 1 17 . 1 1 49 49 GLN N N 49 115.426 115.426 116.674 -1.248 19547 4427 1 17 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.945 -0.099 19547 4428 1 17 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.198 0.247 19547 4429 1 17 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.535 -0.343 19547 4430 1 17 . 1 1 49 49 GLN H H 49 8.602 8.602 7.866 0.736 19547 4431 1 17 . 1 1 50 50 ARG N N 50 120.058 120.058 116.351 3.707 19547 4432 1 17 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.189 -0.199 19547 4433 1 17 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.219 1.794 19547 4434 1 17 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.231 0.062 19547 4435 1 17 . 1 1 50 50 ARG H H 50 7.171 7.171 7.576 -0.405 19547 4436 1 17 . 1 1 51 51 ILE N N 51 120.766 120.766 119.388 1.378 19547 4437 1 17 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.742 -0.113 19547 4438 1 17 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.674 0.631 19547 4439 1 17 . 1 1 51 51 ILE CB C 51 37.943 37.943 38.081 -0.138 19547 4440 1 17 . 1 1 51 51 ILE H H 51 7.893 7.893 7.234 0.659 19547 4441 1 17 . 1 1 52 52 GLN N N 52 119.013 119.013 117.504 1.509 19547 4442 1 17 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.016 -0.194 19547 4443 1 17 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.226 1.202 19547 4444 1 17 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.436 0.844 19547 4445 1 17 . 1 1 52 52 GLN H H 52 7.907 7.907 7.414 0.493 19547 4446 1 17 . 1 1 53 53 ALA N N 53 120.605 120.605 120.737 -0.132 19547 4447 1 17 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.136 0.050 19547 4448 1 17 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.125 0.032 19547 4449 1 17 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.826 -0.182 19547 4450 1 17 . 1 1 53 53 ALA H H 53 7.592 7.592 7.857 -0.265 19547 4451 1 17 . 1 1 54 54 GLY N N 54 105.866 105.866 104.126 1.740 19547 4452 1 17 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.956 0.666 19547 4453 1 17 . 1 1 54 54 GLY H H 54 7.720 7.720 7.752 -0.032 19547 4454 1 17 . 1 1 55 55 LEU N N 55 120.773 120.773 116.527 4.246 19547 4455 1 17 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.988 -0.662 19547 4456 1 17 . 1 1 55 55 LEU CA C 55 55.105 55.105 54.047 1.058 19547 4457 1 17 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.786 -0.539 19547 4458 1 17 . 1 1 55 55 LEU H H 55 7.697 7.697 7.647 0.050 19547 4459 1 17 . 1 1 56 56 THR N N 56 113.079 113.079 112.371 0.708 19547 4460 1 17 . 1 1 56 56 THR HA H 56 4.253 4.253 4.410 -0.157 19547 4461 1 17 . 1 1 56 56 THR CA C 56 61.320 61.320 61.696 -0.376 19547 4462 1 17 . 1 1 56 56 THR CB C 56 69.885 69.885 69.525 0.360 19547 4463 1 17 . 1 1 56 56 THR H H 56 7.743 7.743 8.226 -0.483 19547 4464 1 17 . 1 1 57 57 ALA N N 57 127.233 127.233 124.733 2.500 19547 4465 1 17 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.729 -0.226 19547 4466 1 17 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.419 0.150 19547 4467 1 17 . 1 1 57 57 ALA CB C 57 18.294 18.294 20.081 -1.787 19547 4468 1 17 . 1 1 57 57 ALA H H 57 8.072 8.072 7.670 0.402 19547 4469 1 17 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.365 -0.051 19547 4470 1 17 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.301 1.063 19547 4471 1 17 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.426 -0.570 19547 4472 1 18 . 1 1 2 2 LEU N N 2 125.858 125.858 126.386 -0.528 19547 4473 1 18 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.841 -0.253 19547 4474 1 18 . 1 1 2 2 LEU CA C 2 54.177 54.177 55.068 -0.891 19547 4475 1 18 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.105 -0.722 19547 4476 1 18 . 1 1 2 2 LEU H H 2 8.415 8.415 8.472 -0.057 19547 4477 1 18 . 1 1 3 3 ILE N N 3 130.863 130.863 123.282 7.581 19547 4478 1 18 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.477 0.376 19547 4479 1 18 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.929 -0.610 19547 4480 1 18 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.595 -1.544 19547 4481 1 18 . 1 1 3 3 ILE H H 3 10.198 10.198 8.301 1.897 19547 4482 1 18 . 1 1 4 4 LEU N N 4 123.561 123.561 125.518 -1.957 19547 4483 1 18 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.711 -0.168 19547 4484 1 18 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.810 -1.403 19547 4485 1 18 . 1 1 4 4 LEU CB C 4 46.350 46.350 45.078 1.272 19547 4486 1 18 . 1 1 4 4 LEU H H 4 8.846 8.846 8.225 0.621 19547 4487 1 18 . 1 1 5 5 THR N N 5 123.256 123.256 115.518 7.738 19547 4488 1 18 . 1 1 5 5 THR HA H 5 5.469 5.469 4.684 0.785 19547 4489 1 18 . 1 1 5 5 THR CA C 5 60.415 60.415 61.540 -1.125 19547 4490 1 18 . 1 1 5 5 THR CB C 5 69.449 69.449 69.621 -0.172 19547 4491 1 18 . 1 1 5 5 THR H H 5 9.094 9.094 8.148 0.946 19547 4492 1 18 . 1 1 6 6 ARG N N 6 123.316 123.316 123.375 -0.059 19547 4493 1 18 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.499 0.410 19547 4494 1 18 . 1 1 6 6 ARG CA C 6 55.056 55.056 55.633 -0.577 19547 4495 1 18 . 1 1 6 6 ARG CB C 6 38.720 38.720 32.967 5.753 19547 4496 1 18 . 1 1 6 6 ARG H H 6 9.161 9.161 8.353 0.808 19547 4497 1 18 . 1 1 7 7 LYS N N 7 122.466 122.466 125.281 -2.815 19547 4498 1 18 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.532 0.681 19547 4499 1 18 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.454 -1.430 19547 4500 1 18 . 1 1 7 7 LYS CB C 7 33.909 33.909 34.469 -0.560 19547 4501 1 18 . 1 1 7 7 LYS H H 7 9.295 9.295 9.006 0.289 19547 4502 1 18 . 1 1 8 8 VAL N N 8 118.123 118.123 118.912 -0.789 19547 4503 1 18 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.916 -0.638 19547 4504 1 18 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.136 2.778 19547 4505 1 18 . 1 1 8 8 VAL CB C 8 31.589 31.589 31.346 0.243 19547 4506 1 18 . 1 1 8 8 VAL H H 8 7.576 7.576 8.340 -0.764 19547 4507 1 18 . 1 1 9 9 GLY N N 9 116.005 116.005 114.323 1.682 19547 4508 1 18 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.791 -0.209 19547 4509 1 18 . 1 1 9 9 GLY H H 9 9.255 9.255 9.191 0.064 19547 4510 1 18 . 1 1 10 10 GLU N N 10 119.485 119.485 119.740 -0.255 19547 4511 1 18 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.778 0.104 19547 4512 1 18 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.334 1.358 19547 4513 1 18 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.731 -0.148 19547 4514 1 18 . 1 1 10 10 GLU H H 10 8.364 8.364 7.853 0.511 19547 4515 1 18 . 1 1 11 11 SER N N 11 112.365 112.365 113.423 -1.058 19547 4516 1 18 . 1 1 11 11 SER HA H 11 5.866 5.866 5.400 0.466 19547 4517 1 18 . 1 1 11 11 SER CA C 11 57.942 57.942 57.098 0.844 19547 4518 1 18 . 1 1 11 11 SER CB C 11 67.035 67.035 66.090 0.945 19547 4519 1 18 . 1 1 11 11 SER H H 11 8.620 8.620 8.380 0.240 19547 4520 1 18 . 1 1 12 12 ILE N N 12 124.398 124.398 119.692 4.706 19547 4521 1 18 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.480 -0.138 19547 4522 1 18 . 1 1 12 12 ILE CA C 12 59.899 59.899 60.229 -0.330 19547 4523 1 18 . 1 1 12 12 ILE CB C 12 42.791 42.791 43.075 -0.284 19547 4524 1 18 . 1 1 12 12 ILE H H 12 9.260 9.260 8.875 0.385 19547 4525 1 18 . 1 1 13 13 ASN N N 13 126.218 126.218 121.408 4.810 19547 4526 1 18 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.151 -0.127 19547 4527 1 18 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.081 1.238 19547 4528 1 18 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.567 -0.105 19547 4529 1 18 . 1 1 13 13 ASN H H 13 9.364 9.364 8.409 0.955 19547 4530 1 18 . 1 1 14 14 ILE N N 14 123.971 123.971 121.849 2.122 19547 4531 1 18 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.395 0.061 19547 4532 1 18 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.876 -0.305 19547 4533 1 18 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.170 -2.646 19547 4534 1 18 . 1 1 14 14 ILE H H 14 8.451 8.451 8.527 -0.076 19547 4535 1 18 . 1 1 15 15 GLY N N 15 115.306 115.306 114.609 0.697 19547 4536 1 18 . 1 1 15 15 GLY CA C 15 46.060 46.060 45.997 0.063 19547 4537 1 18 . 1 1 15 15 GLY H H 15 9.075 9.075 8.563 0.512 19547 4538 1 18 . 1 1 16 16 ASP N N 16 120.409 120.409 120.660 -0.251 19547 4539 1 18 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.667 0.242 19547 4540 1 18 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.018 1.339 19547 4541 1 18 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.517 0.753 19547 4542 1 18 . 1 1 16 16 ASP H H 16 8.713 8.713 8.383 0.330 19547 4543 1 18 . 1 1 17 17 ASP N N 17 115.565 115.565 119.940 -4.375 19547 4544 1 18 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.897 -0.168 19547 4545 1 18 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.689 -0.566 19547 4546 1 18 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.749 -1.232 19547 4547 1 18 . 1 1 17 17 ASP H H 17 8.149 8.149 7.858 0.291 19547 4548 1 18 . 1 1 18 18 ILE N N 18 118.660 118.660 119.686 -1.026 19547 4549 1 18 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.078 0.100 19547 4550 1 18 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.439 -0.285 19547 4551 1 18 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.327 -2.715 19547 4552 1 18 . 1 1 18 18 ILE H H 18 7.181 7.181 7.677 -0.496 19547 4553 1 18 . 1 1 19 19 THR N N 19 122.893 122.893 120.894 1.999 19547 4554 1 18 . 1 1 19 19 THR HA H 19 5.104 5.104 5.016 0.088 19547 4555 1 18 . 1 1 19 19 THR CA C 19 60.949 60.949 61.552 -0.603 19547 4556 1 18 . 1 1 19 19 THR CB C 19 71.669 71.669 72.286 -0.617 19547 4557 1 18 . 1 1 19 19 THR H H 19 8.922 8.922 8.603 0.319 19547 4558 1 18 . 1 1 20 20 ILE N N 20 123.852 123.852 122.037 1.815 19547 4559 1 18 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.992 -0.151 19547 4560 1 18 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.153 -0.223 19547 4561 1 18 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.850 -1.550 19547 4562 1 18 . 1 1 20 20 ILE H H 20 8.930 8.930 9.150 -0.220 19547 4563 1 18 . 1 1 21 21 THR N N 21 123.855 123.855 119.835 4.020 19547 4564 1 18 . 1 1 21 21 THR HA H 21 4.821 4.821 4.945 -0.124 19547 4565 1 18 . 1 1 21 21 THR CA C 21 61.436 61.436 61.926 -0.490 19547 4566 1 18 . 1 1 21 21 THR CB C 21 71.939 71.939 72.239 -0.300 19547 4567 1 18 . 1 1 21 21 THR H H 21 9.372 9.372 8.788 0.584 19547 4568 1 18 . 1 1 22 22 ILE N N 22 125.561 125.561 127.073 -1.512 19547 4569 1 18 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.623 -0.531 19547 4570 1 18 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.043 1.060 19547 4571 1 18 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.874 -4.022 19547 4572 1 18 . 1 1 22 22 ILE H H 22 8.107 8.107 8.459 -0.352 19547 4573 1 18 . 1 1 23 23 LEU N N 23 129.208 129.208 128.755 0.453 19547 4574 1 18 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.179 0.088 19547 4575 1 18 . 1 1 23 23 LEU CA C 23 55.490 55.490 56.104 -0.614 19547 4576 1 18 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.702 0.531 19547 4577 1 18 . 1 1 23 23 LEU H H 23 8.910 8.910 8.201 0.709 19547 4578 1 18 . 1 1 24 24 GLY N N 24 104.396 104.396 104.164 0.232 19547 4579 1 18 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.876 1.092 19547 4580 1 18 . 1 1 24 24 GLY H H 24 7.493 7.493 7.648 -0.155 19547 4581 1 18 . 1 1 25 25 VAL N N 25 120.463 120.463 116.452 4.011 19547 4582 1 18 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.957 -0.336 19547 4583 1 18 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.842 2.681 19547 4584 1 18 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.363 0.370 19547 4585 1 18 . 1 1 25 25 VAL H H 25 8.406 8.406 8.188 0.218 19547 4586 1 18 . 1 1 26 26 SER N N 26 121.835 121.835 117.512 4.323 19547 4587 1 18 . 1 1 26 26 SER HA H 26 4.612 4.612 4.694 -0.082 19547 4588 1 18 . 1 1 26 26 SER CA C 26 56.564 56.564 58.136 -1.572 19547 4589 1 18 . 1 1 26 26 SER CB C 26 63.858 63.858 63.860 -0.002 19547 4590 1 18 . 1 1 26 26 SER H H 26 8.545 8.545 8.917 -0.372 19547 4591 1 18 . 1 1 27 27 GLY N N 27 118.379 118.379 110.265 8.114 19547 4592 1 18 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.855 2.572 19547 4593 1 18 . 1 1 27 27 GLY H H 27 8.714 8.714 8.046 0.668 19547 4594 1 18 . 1 1 28 28 GLN N N 28 124.776 124.776 121.763 3.013 19547 4595 1 18 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.351 -0.062 19547 4596 1 18 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.403 -1.404 19547 4597 1 18 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.782 1.163 19547 4598 1 18 . 1 1 28 28 GLN H H 28 9.208 9.208 8.490 0.718 19547 4599 1 18 . 1 1 29 29 GLN N N 29 118.507 118.507 117.951 0.556 19547 4600 1 18 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.435 0.137 19547 4601 1 18 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.422 0.965 19547 4602 1 18 . 1 1 29 29 GLN H H 29 8.423 8.423 8.073 0.350 19547 4603 1 18 . 1 1 30 30 VAL N N 30 126.854 126.854 119.872 6.982 19547 4604 1 18 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.240 0.316 19547 4605 1 18 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.192 -0.581 19547 4606 1 18 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.006 -0.713 19547 4607 1 18 . 1 1 30 30 VAL H H 30 9.304 9.304 8.275 1.029 19547 4608 1 18 . 1 1 31 31 ARG N N 31 127.878 127.878 124.873 3.005 19547 4609 1 18 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.765 -0.156 19547 4610 1 18 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.244 1.324 19547 4611 1 18 . 1 1 31 31 ARG CB C 31 31.531 31.531 31.589 -0.058 19547 4612 1 18 . 1 1 31 31 ARG H H 31 8.683 8.683 8.882 -0.199 19547 4613 1 18 . 1 1 32 32 ILE N N 32 127.071 127.071 123.088 3.983 19547 4614 1 18 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.452 -1.797 19547 4615 1 18 . 1 1 32 32 ILE H H 32 8.958 8.958 8.657 0.301 19547 4616 1 18 . 1 1 33 33 GLY N N 33 112.801 112.801 113.095 -0.294 19547 4617 1 18 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.619 0.956 19547 4618 1 18 . 1 1 33 33 GLY H H 33 9.114 9.114 8.924 0.190 19547 4619 1 18 . 1 1 34 34 ILE N N 34 125.117 125.117 119.302 5.815 19547 4620 1 18 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.731 0.072 19547 4621 1 18 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.318 0.475 19547 4622 1 18 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.288 -1.189 19547 4623 1 18 . 1 1 34 34 ILE H H 34 9.566 9.566 8.127 1.439 19547 4624 1 18 . 1 1 35 35 ASN N N 35 129.274 129.274 124.116 5.158 19547 4625 1 18 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.956 0.123 19547 4626 1 18 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.509 -0.323 19547 4627 1 18 . 1 1 35 35 ASN CB C 35 40.316 40.316 40.034 0.282 19547 4628 1 18 . 1 1 35 35 ASN H H 35 8.908 8.908 8.761 0.147 19547 4629 1 18 . 1 1 36 36 ALA N N 36 125.590 125.590 127.303 -1.713 19547 4630 1 18 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.324 -0.262 19547 4631 1 18 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.240 0.108 19547 4632 1 18 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.991 -1.090 19547 4633 1 18 . 1 1 36 36 ALA H H 36 8.241 8.241 8.068 0.173 19547 4634 1 18 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.562 -0.157 19547 4635 1 18 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.157 0.739 19547 4636 1 18 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.459 -0.057 19547 4637 1 18 . 1 1 38 38 LYS N N 38 120.951 120.951 119.427 1.524 19547 4638 1 18 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.111 -0.348 19547 4639 1 18 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.557 1.275 19547 4640 1 18 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.755 0.173 19547 4641 1 18 . 1 1 38 38 LYS H H 38 8.549 8.549 8.677 -0.128 19547 4642 1 18 . 1 1 39 39 ASP N N 39 113.835 113.835 117.943 -4.108 19547 4643 1 18 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.590 -0.244 19547 4644 1 18 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.465 -1.396 19547 4645 1 18 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.005 -1.131 19547 4646 1 18 . 1 1 39 39 ASP H H 39 8.126 8.126 8.170 -0.044 19547 4647 1 18 . 1 1 40 40 VAL N N 40 122.591 122.591 114.347 8.244 19547 4648 1 18 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.445 -0.483 19547 4649 1 18 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.918 2.007 19547 4650 1 18 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.237 -3.392 19547 4651 1 18 . 1 1 40 40 VAL H H 40 8.002 8.002 7.454 0.548 19547 4652 1 18 . 1 1 41 41 ALA N N 41 133.626 133.626 125.287 8.339 19547 4653 1 18 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.979 -0.541 19547 4654 1 18 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.623 0.568 19547 4655 1 18 . 1 1 41 41 ALA CB C 41 19.050 19.050 19.908 -0.858 19547 4656 1 18 . 1 1 41 41 ALA H H 41 8.884 8.884 8.253 0.631 19547 4657 1 18 . 1 1 42 42 VAL N N 42 124.906 124.906 118.237 6.669 19547 4658 1 18 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.394 0.008 19547 4659 1 18 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.890 -1.329 19547 4660 1 18 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.093 0.518 19547 4661 1 18 . 1 1 42 42 VAL H H 42 7.812 7.812 7.695 0.117 19547 4662 1 18 . 1 1 43 43 HIS N N 43 119.082 119.082 123.791 -4.709 19547 4663 1 18 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.769 0.690 19547 4664 1 18 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.283 -1.340 19547 4665 1 18 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.208 5.172 19547 4666 1 18 . 1 1 43 43 HIS H H 43 8.652 8.652 8.316 0.336 19547 4667 1 18 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.374 -0.425 19547 4668 1 18 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.251 2.123 19547 4669 1 18 . 1 1 45 45 GLU N N 45 126.045 126.045 122.845 3.200 19547 4670 1 18 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.981 0.363 19547 4671 1 18 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.654 0.266 19547 4672 1 18 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.552 0.528 19547 4673 1 18 . 1 1 45 45 GLU H H 45 7.873 7.873 8.962 -1.089 19547 4674 1 18 . 1 1 46 46 GLU N N 46 118.418 118.418 118.147 0.271 19547 4675 1 18 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.180 0.068 19547 4676 1 18 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.765 0.002 19547 4677 1 18 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.318 -2.093 19547 4678 1 18 . 1 1 46 46 GLU H H 46 10.810 10.810 8.507 2.303 19547 4679 1 18 . 1 1 47 47 ILE N N 47 122.170 122.170 118.501 3.669 19547 4680 1 18 . 1 1 47 47 ILE HA H 47 3.816 3.816 4.036 -0.220 19547 4681 1 18 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.270 -0.992 19547 4682 1 18 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.662 -3.179 19547 4683 1 18 . 1 1 47 47 ILE H H 47 7.221 7.221 7.761 -0.540 19547 4684 1 18 . 1 1 48 48 TYR N N 48 122.213 122.213 122.244 -0.031 19547 4685 1 18 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.915 -0.262 19547 4686 1 18 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.073 -0.053 19547 4687 1 18 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.251 0.799 19547 4688 1 18 . 1 1 48 48 TYR H H 48 8.115 8.115 8.697 -0.582 19547 4689 1 18 . 1 1 49 49 GLN N N 49 115.426 115.426 116.567 -1.141 19547 4690 1 18 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.978 -0.132 19547 4691 1 18 . 1 1 49 49 GLN CA C 49 58.445 58.445 57.948 0.497 19547 4692 1 18 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.535 -0.343 19547 4693 1 18 . 1 1 49 49 GLN H H 49 8.602 8.602 7.854 0.748 19547 4694 1 18 . 1 1 50 50 ARG N N 50 120.058 120.058 116.813 3.245 19547 4695 1 18 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.169 -0.179 19547 4696 1 18 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.368 1.645 19547 4697 1 18 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.145 0.148 19547 4698 1 18 . 1 1 50 50 ARG H H 50 7.171 7.171 7.691 -0.520 19547 4699 1 18 . 1 1 51 51 ILE N N 51 120.766 120.766 120.802 -0.036 19547 4700 1 18 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.686 -0.057 19547 4701 1 18 . 1 1 51 51 ILE CA C 51 64.305 64.305 64.174 0.131 19547 4702 1 18 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.858 0.086 19547 4703 1 18 . 1 1 51 51 ILE H H 51 7.893 7.893 7.103 0.790 19547 4704 1 18 . 1 1 52 52 GLN N N 52 119.013 119.013 117.633 1.380 19547 4705 1 18 . 1 1 52 52 GLN HA H 52 3.822 3.822 3.959 -0.137 19547 4706 1 18 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.742 0.687 19547 4707 1 18 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.413 0.867 19547 4708 1 18 . 1 1 52 52 GLN H H 52 7.907 7.907 7.380 0.527 19547 4709 1 18 . 1 1 53 53 ALA N N 53 120.605 120.605 120.508 0.097 19547 4710 1 18 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.165 0.021 19547 4711 1 18 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.068 0.089 19547 4712 1 18 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.910 -0.266 19547 4713 1 18 . 1 1 53 53 ALA H H 53 7.592 7.592 7.824 -0.232 19547 4714 1 18 . 1 1 54 54 GLY N N 54 105.866 105.866 104.148 1.718 19547 4715 1 18 . 1 1 54 54 GLY CA C 54 45.622 45.622 45.074 0.548 19547 4716 1 18 . 1 1 54 54 GLY H H 54 7.720 7.720 7.735 -0.015 19547 4717 1 18 . 1 1 55 55 LEU N N 55 120.773 120.773 116.574 4.199 19547 4718 1 18 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.987 -0.661 19547 4719 1 18 . 1 1 55 55 LEU CA C 55 55.105 55.105 53.856 1.248 19547 4720 1 18 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.855 -0.608 19547 4721 1 18 . 1 1 55 55 LEU H H 55 7.697 7.697 7.837 -0.140 19547 4722 1 18 . 1 1 56 56 THR N N 56 113.079 113.079 112.395 0.684 19547 4723 1 18 . 1 1 56 56 THR HA H 56 4.253 4.253 4.420 -0.167 19547 4724 1 18 . 1 1 56 56 THR CA C 56 61.320 61.320 61.589 -0.269 19547 4725 1 18 . 1 1 56 56 THR CB C 56 69.885 69.885 69.548 0.337 19547 4726 1 18 . 1 1 56 56 THR H H 56 7.743 7.743 8.282 -0.539 19547 4727 1 18 . 1 1 57 57 ALA N N 57 127.233 127.233 123.778 3.455 19547 4728 1 18 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.773 -0.270 19547 4729 1 18 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.434 0.135 19547 4730 1 18 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.731 -1.437 19547 4731 1 18 . 1 1 57 57 ALA H H 57 8.072 8.072 7.539 0.533 19547 4732 1 18 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.206 0.108 19547 4733 1 18 . 1 1 58 58 PRO CA C 58 63.364 63.364 64.615 -1.251 19547 4734 1 18 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.323 -0.467 19547 4735 1 19 . 1 1 2 2 LEU N N 2 125.858 125.858 127.104 -1.246 19547 4736 1 19 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.856 -0.268 19547 4737 1 19 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.820 -0.643 19547 4738 1 19 . 1 1 2 2 LEU CB C 2 42.383 42.383 42.831 -0.448 19547 4739 1 19 . 1 1 2 2 LEU H H 2 8.415 8.415 8.485 -0.070 19547 4740 1 19 . 1 1 3 3 ILE N N 3 130.863 130.863 123.374 7.489 19547 4741 1 19 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.465 0.388 19547 4742 1 19 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.722 -0.403 19547 4743 1 19 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.529 -1.478 19547 4744 1 19 . 1 1 3 3 ILE H H 3 10.198 10.198 8.321 1.877 19547 4745 1 19 . 1 1 4 4 LEU N N 4 123.561 123.561 125.326 -1.765 19547 4746 1 19 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.659 -0.116 19547 4747 1 19 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.959 -1.552 19547 4748 1 19 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.999 1.351 19547 4749 1 19 . 1 1 4 4 LEU H H 4 8.846 8.846 8.271 0.575 19547 4750 1 19 . 1 1 5 5 THR N N 5 123.256 123.256 117.693 5.563 19547 4751 1 19 . 1 1 5 5 THR HA H 5 5.469 5.469 4.716 0.753 19547 4752 1 19 . 1 1 5 5 THR CA C 5 60.415 60.415 61.770 -1.355 19547 4753 1 19 . 1 1 5 5 THR CB C 5 69.449 69.449 69.632 -0.183 19547 4754 1 19 . 1 1 5 5 THR H H 5 9.094 9.094 8.345 0.749 19547 4755 1 19 . 1 1 6 6 ARG N N 6 123.316 123.316 123.227 0.089 19547 4756 1 19 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.724 0.185 19547 4757 1 19 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.918 0.138 19547 4758 1 19 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.370 5.350 19547 4759 1 19 . 1 1 6 6 ARG H H 6 9.161 9.161 8.476 0.685 19547 4760 1 19 . 1 1 7 7 LYS N N 7 122.466 122.466 120.380 2.086 19547 4761 1 19 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.702 0.511 19547 4762 1 19 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.170 -1.146 19547 4763 1 19 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.399 -1.490 19547 4764 1 19 . 1 1 7 7 LYS H H 7 9.295 9.295 8.997 0.298 19547 4765 1 19 . 1 1 8 8 VAL N N 8 118.123 118.123 117.971 0.152 19547 4766 1 19 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.810 -0.532 19547 4767 1 19 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.479 2.435 19547 4768 1 19 . 1 1 8 8 VAL CB C 8 31.589 31.589 31.190 0.399 19547 4769 1 19 . 1 1 8 8 VAL H H 8 7.576 7.576 8.322 -0.746 19547 4770 1 19 . 1 1 9 9 GLY N N 9 116.005 116.005 114.301 1.704 19547 4771 1 19 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.805 -0.223 19547 4772 1 19 . 1 1 9 9 GLY H H 9 9.255 9.255 9.224 0.031 19547 4773 1 19 . 1 1 10 10 GLU N N 10 119.485 119.485 119.822 -0.337 19547 4774 1 19 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.752 0.130 19547 4775 1 19 . 1 1 10 10 GLU CA C 10 55.692 55.692 54.453 1.239 19547 4776 1 19 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.544 0.039 19547 4777 1 19 . 1 1 10 10 GLU H H 10 8.364 8.364 7.877 0.487 19547 4778 1 19 . 1 1 11 11 SER N N 11 112.365 112.365 113.488 -1.123 19547 4779 1 19 . 1 1 11 11 SER HA H 11 5.866 5.866 5.443 0.423 19547 4780 1 19 . 1 1 11 11 SER CA C 11 57.942 57.942 57.059 0.883 19547 4781 1 19 . 1 1 11 11 SER CB C 11 67.035 67.035 66.108 0.927 19547 4782 1 19 . 1 1 11 11 SER H H 11 8.620 8.620 8.403 0.217 19547 4783 1 19 . 1 1 12 12 ILE N N 12 124.398 124.398 119.975 4.423 19547 4784 1 19 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.449 -0.107 19547 4785 1 19 . 1 1 12 12 ILE CA C 12 59.899 59.899 60.092 -0.193 19547 4786 1 19 . 1 1 12 12 ILE CB C 12 42.791 42.791 43.120 -0.329 19547 4787 1 19 . 1 1 12 12 ILE H H 12 9.260 9.260 8.895 0.365 19547 4788 1 19 . 1 1 13 13 ASN N N 13 126.218 126.218 120.808 5.410 19547 4789 1 19 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.138 -0.114 19547 4790 1 19 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.487 0.832 19547 4791 1 19 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.549 -0.087 19547 4792 1 19 . 1 1 13 13 ASN H H 13 9.364 9.364 8.494 0.870 19547 4793 1 19 . 1 1 14 14 ILE N N 14 123.971 123.971 121.228 2.743 19547 4794 1 19 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.459 -0.003 19547 4795 1 19 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.712 -0.141 19547 4796 1 19 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.437 -2.913 19547 4797 1 19 . 1 1 14 14 ILE H H 14 8.451 8.451 8.491 -0.040 19547 4798 1 19 . 1 1 15 15 GLY N N 15 115.306 115.306 113.751 1.555 19547 4799 1 19 . 1 1 15 15 GLY CA C 15 46.060 46.060 45.989 0.071 19547 4800 1 19 . 1 1 15 15 GLY H H 15 9.075 9.075 8.622 0.453 19547 4801 1 19 . 1 1 16 16 ASP N N 16 120.409 120.409 122.761 -2.352 19547 4802 1 19 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.748 0.161 19547 4803 1 19 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.270 1.087 19547 4804 1 19 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.309 0.961 19547 4805 1 19 . 1 1 16 16 ASP H H 16 8.713 8.713 8.375 0.338 19547 4806 1 19 . 1 1 17 17 ASP N N 17 115.565 115.565 119.918 -4.353 19547 4807 1 19 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.902 -0.173 19547 4808 1 19 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.537 -0.414 19547 4809 1 19 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.691 -1.173 19547 4810 1 19 . 1 1 17 17 ASP H H 17 8.149 8.149 7.873 0.276 19547 4811 1 19 . 1 1 18 18 ILE N N 18 118.660 118.660 119.783 -1.123 19547 4812 1 19 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.060 0.118 19547 4813 1 19 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.167 -0.013 19547 4814 1 19 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.376 -2.764 19547 4815 1 19 . 1 1 18 18 ILE H H 18 7.181 7.181 7.763 -0.582 19547 4816 1 19 . 1 1 19 19 THR N N 19 122.893 122.893 120.494 2.399 19547 4817 1 19 . 1 1 19 19 THR HA H 19 5.104 5.104 5.060 0.044 19547 4818 1 19 . 1 1 19 19 THR CA C 19 60.949 60.949 61.392 -0.443 19547 4819 1 19 . 1 1 19 19 THR CB C 19 71.669 71.669 72.469 -0.800 19547 4820 1 19 . 1 1 19 19 THR H H 19 8.922 8.922 8.562 0.360 19547 4821 1 19 . 1 1 20 20 ILE N N 20 123.852 123.852 121.726 2.126 19547 4822 1 19 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.882 -0.041 19547 4823 1 19 . 1 1 20 20 ILE CA C 20 58.930 58.930 58.995 -0.064 19547 4824 1 19 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.836 -1.536 19547 4825 1 19 . 1 1 20 20 ILE H H 20 8.930 8.930 9.178 -0.248 19547 4826 1 19 . 1 1 21 21 THR N N 21 123.855 123.855 120.330 3.525 19547 4827 1 19 . 1 1 21 21 THR HA H 21 4.821 4.821 4.916 -0.095 19547 4828 1 19 . 1 1 21 21 THR CA C 21 61.436 61.436 61.989 -0.553 19547 4829 1 19 . 1 1 21 21 THR CB C 21 71.939 71.939 71.831 0.108 19547 4830 1 19 . 1 1 21 21 THR H H 21 9.372 9.372 8.877 0.495 19547 4831 1 19 . 1 1 22 22 ILE N N 22 125.561 125.561 128.036 -2.475 19547 4832 1 19 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.476 -0.384 19547 4833 1 19 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.494 0.609 19547 4834 1 19 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.889 -4.037 19547 4835 1 19 . 1 1 22 22 ILE H H 22 8.107 8.107 8.571 -0.464 19547 4836 1 19 . 1 1 23 23 LEU N N 23 129.208 129.208 128.670 0.538 19547 4837 1 19 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.360 -0.093 19547 4838 1 19 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.814 -0.324 19547 4839 1 19 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.590 0.643 19547 4840 1 19 . 1 1 23 23 LEU H H 23 8.910 8.910 8.403 0.507 19547 4841 1 19 . 1 1 24 24 GLY N N 24 104.396 104.396 103.956 0.440 19547 4842 1 19 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.934 1.034 19547 4843 1 19 . 1 1 24 24 GLY H H 24 7.493 7.493 7.647 -0.154 19547 4844 1 19 . 1 1 25 25 VAL N N 25 120.463 120.463 116.422 4.041 19547 4845 1 19 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.632 -0.011 19547 4846 1 19 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.861 2.662 19547 4847 1 19 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.307 0.426 19547 4848 1 19 . 1 1 25 25 VAL H H 25 8.406 8.406 8.172 0.234 19547 4849 1 19 . 1 1 26 26 SER N N 26 121.835 121.835 117.353 4.482 19547 4850 1 19 . 1 1 26 26 SER HA H 26 4.612 4.612 4.651 -0.039 19547 4851 1 19 . 1 1 26 26 SER CA C 26 56.564 56.564 58.078 -1.514 19547 4852 1 19 . 1 1 26 26 SER CB C 26 63.858 63.858 63.334 0.524 19547 4853 1 19 . 1 1 26 26 SER H H 26 8.545 8.545 8.817 -0.272 19547 4854 1 19 . 1 1 27 27 GLY N N 27 118.379 118.379 111.146 7.233 19547 4855 1 19 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.185 2.242 19547 4856 1 19 . 1 1 27 27 GLY H H 27 8.714 8.714 8.462 0.252 19547 4857 1 19 . 1 1 28 28 GLN N N 28 124.776 124.776 122.788 1.988 19547 4858 1 19 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.452 -0.163 19547 4859 1 19 . 1 1 28 28 GLN CA C 28 54.999 54.999 55.744 -0.745 19547 4860 1 19 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.060 0.884 19547 4861 1 19 . 1 1 28 28 GLN H H 28 9.208 9.208 8.474 0.734 19547 4862 1 19 . 1 1 29 29 GLN N N 29 118.507 118.507 119.397 -0.890 19547 4863 1 19 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.434 0.138 19547 4864 1 19 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.297 1.089 19547 4865 1 19 . 1 1 29 29 GLN H H 29 8.423 8.423 7.997 0.426 19547 4866 1 19 . 1 1 30 30 VAL N N 30 126.854 126.854 120.082 6.772 19547 4867 1 19 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.355 0.201 19547 4868 1 19 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.001 -0.390 19547 4869 1 19 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.238 -0.945 19547 4870 1 19 . 1 1 30 30 VAL H H 30 9.304 9.304 8.296 1.008 19547 4871 1 19 . 1 1 31 31 ARG N N 31 127.878 127.878 125.582 2.296 19547 4872 1 19 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.799 -0.190 19547 4873 1 19 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.869 0.699 19547 4874 1 19 . 1 1 31 31 ARG CB C 31 31.531 31.531 33.193 -1.661 19547 4875 1 19 . 1 1 31 31 ARG H H 31 8.683 8.683 8.914 -0.231 19547 4876 1 19 . 1 1 32 32 ILE N N 32 127.071 127.071 123.352 3.719 19547 4877 1 19 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.606 -1.951 19547 4878 1 19 . 1 1 32 32 ILE H H 32 8.958 8.958 8.535 0.423 19547 4879 1 19 . 1 1 33 33 GLY N N 33 112.801 112.801 112.589 0.212 19547 4880 1 19 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.614 0.961 19547 4881 1 19 . 1 1 33 33 GLY H H 33 9.114 9.114 8.996 0.118 19547 4882 1 19 . 1 1 34 34 ILE N N 34 125.117 125.117 118.879 6.238 19547 4883 1 19 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.735 0.068 19547 4884 1 19 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.296 0.497 19547 4885 1 19 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.358 -1.259 19547 4886 1 19 . 1 1 34 34 ILE H H 34 9.566 9.566 8.129 1.437 19547 4887 1 19 . 1 1 35 35 ASN N N 35 129.274 129.274 123.778 5.496 19547 4888 1 19 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.943 0.136 19547 4889 1 19 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.556 -0.370 19547 4890 1 19 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.905 0.411 19547 4891 1 19 . 1 1 35 35 ASN H H 35 8.908 8.908 8.735 0.173 19547 4892 1 19 . 1 1 36 36 ALA N N 36 125.590 125.590 127.166 -1.576 19547 4893 1 19 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.252 -0.190 19547 4894 1 19 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.326 0.023 19547 4895 1 19 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.005 -1.104 19547 4896 1 19 . 1 1 36 36 ALA H H 36 8.241 8.241 8.044 0.197 19547 4897 1 19 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.558 -0.153 19547 4898 1 19 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.159 0.737 19547 4899 1 19 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.460 -0.058 19547 4900 1 19 . 1 1 38 38 LYS N N 38 120.951 120.951 120.622 0.329 19547 4901 1 19 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.141 -0.378 19547 4902 1 19 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.635 1.197 19547 4903 1 19 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.731 0.197 19547 4904 1 19 . 1 1 38 38 LYS H H 38 8.549 8.549 8.565 -0.016 19547 4905 1 19 . 1 1 39 39 ASP N N 39 113.835 113.835 118.915 -5.080 19547 4906 1 19 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.493 -0.147 19547 4907 1 19 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.186 -1.117 19547 4908 1 19 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.968 -1.094 19547 4909 1 19 . 1 1 39 39 ASP H H 39 8.126 8.126 8.395 -0.269 19547 4910 1 19 . 1 1 40 40 VAL N N 40 122.591 122.591 114.743 7.848 19547 4911 1 19 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.436 -0.474 19547 4912 1 19 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.811 2.114 19547 4913 1 19 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.158 -3.313 19547 4914 1 19 . 1 1 40 40 VAL H H 40 8.002 8.002 7.510 0.492 19547 4915 1 19 . 1 1 41 41 ALA N N 41 133.626 133.626 124.973 8.653 19547 4916 1 19 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.994 -0.556 19547 4917 1 19 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.360 0.831 19547 4918 1 19 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.106 -1.056 19547 4919 1 19 . 1 1 41 41 ALA H H 41 8.884 8.884 8.260 0.624 19547 4920 1 19 . 1 1 42 42 VAL N N 42 124.906 124.906 117.594 7.312 19547 4921 1 19 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.458 -0.056 19547 4922 1 19 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.592 -1.031 19547 4923 1 19 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.015 0.596 19547 4924 1 19 . 1 1 42 42 VAL H H 42 7.812 7.812 7.779 0.033 19547 4925 1 19 . 1 1 43 43 HIS N N 43 119.082 119.082 123.792 -4.710 19547 4926 1 19 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.799 0.660 19547 4927 1 19 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.238 -1.295 19547 4928 1 19 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.539 4.841 19547 4929 1 19 . 1 1 43 43 HIS H H 43 8.652 8.652 8.401 0.251 19547 4930 1 19 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.466 -0.517 19547 4931 1 19 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.742 2.632 19547 4932 1 19 . 1 1 45 45 GLU N N 45 126.045 126.045 121.547 4.498 19547 4933 1 19 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.017 0.327 19547 4934 1 19 . 1 1 45 45 GLU CA C 45 59.920 59.920 60.038 -0.118 19547 4935 1 19 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.329 0.751 19547 4936 1 19 . 1 1 45 45 GLU H H 45 7.873 7.873 8.997 -1.124 19547 4937 1 19 . 1 1 46 46 GLU N N 46 118.418 118.418 118.151 0.267 19547 4938 1 19 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.159 0.089 19547 4939 1 19 . 1 1 46 46 GLU CA C 46 58.767 58.767 59.088 -0.321 19547 4940 1 19 . 1 1 46 46 GLU CB C 46 27.225 27.225 28.796 -1.571 19547 4941 1 19 . 1 1 46 46 GLU H H 46 10.810 10.810 8.640 2.170 19547 4942 1 19 . 1 1 47 47 ILE N N 47 122.170 122.170 119.316 2.854 19547 4943 1 19 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.863 -0.047 19547 4944 1 19 . 1 1 47 47 ILE CA C 47 61.278 61.278 63.396 -2.118 19547 4945 1 19 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.122 -2.639 19547 4946 1 19 . 1 1 47 47 ILE H H 47 7.221 7.221 7.653 -0.432 19547 4947 1 19 . 1 1 48 48 TYR N N 48 122.213 122.213 122.205 0.008 19547 4948 1 19 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.936 -0.283 19547 4949 1 19 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.977 0.043 19547 4950 1 19 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.365 0.685 19547 4951 1 19 . 1 1 48 48 TYR H H 48 8.115 8.115 8.724 -0.609 19547 4952 1 19 . 1 1 49 49 GLN N N 49 115.426 115.426 116.605 -1.179 19547 4953 1 19 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.957 -0.111 19547 4954 1 19 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.285 0.160 19547 4955 1 19 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.548 -0.356 19547 4956 1 19 . 1 1 49 49 GLN H H 49 8.602 8.602 7.891 0.711 19547 4957 1 19 . 1 1 50 50 ARG N N 50 120.058 120.058 116.380 3.678 19547 4958 1 19 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.207 -0.217 19547 4959 1 19 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.093 1.920 19547 4960 1 19 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.290 0.003 19547 4961 1 19 . 1 1 50 50 ARG H H 50 7.171 7.171 7.540 -0.369 19547 4962 1 19 . 1 1 51 51 ILE N N 51 120.766 120.766 119.265 1.501 19547 4963 1 19 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.780 -0.151 19547 4964 1 19 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.585 0.720 19547 4965 1 19 . 1 1 51 51 ILE CB C 51 37.943 37.943 38.136 -0.193 19547 4966 1 19 . 1 1 51 51 ILE H H 51 7.893 7.893 7.177 0.716 19547 4967 1 19 . 1 1 52 52 GLN N N 52 119.013 119.013 117.413 1.600 19547 4968 1 19 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.107 -0.285 19547 4969 1 19 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.635 1.793 19547 4970 1 19 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.619 0.661 19547 4971 1 19 . 1 1 52 52 GLN H H 52 7.907 7.907 7.501 0.406 19547 4972 1 19 . 1 1 53 53 ALA N N 53 120.605 120.605 120.898 -0.293 19547 4973 1 19 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.139 0.047 19547 4974 1 19 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.943 0.214 19547 4975 1 19 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.091 -0.447 19547 4976 1 19 . 1 1 53 53 ALA H H 53 7.592 7.592 7.025 0.567 19547 4977 1 19 . 1 1 54 54 GLY N N 54 105.866 105.866 104.198 1.668 19547 4978 1 19 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.983 0.639 19547 4979 1 19 . 1 1 54 54 GLY H H 54 7.720 7.720 7.821 -0.101 19547 4980 1 19 . 1 1 55 55 LEU N N 55 120.773 120.773 115.805 4.968 19547 4981 1 19 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.755 -0.429 19547 4982 1 19 . 1 1 55 55 LEU CA C 55 55.105 55.105 55.169 -0.064 19547 4983 1 19 . 1 1 55 55 LEU CB C 55 42.247 42.247 43.215 -0.968 19547 4984 1 19 . 1 1 55 55 LEU H H 55 7.697 7.697 7.550 0.147 19547 4985 1 19 . 1 1 56 56 THR N N 56 113.079 113.079 114.352 -1.273 19547 4986 1 19 . 1 1 56 56 THR HA H 56 4.253 4.253 3.773 0.480 19547 4987 1 19 . 1 1 56 56 THR CA C 56 61.320 61.320 63.304 -1.984 19547 4988 1 19 . 1 1 56 56 THR CB C 56 69.885 69.885 67.442 2.443 19547 4989 1 19 . 1 1 56 56 THR H H 56 7.743 7.743 8.157 -0.414 19547 4990 1 19 . 1 1 57 57 ALA N N 57 127.233 127.233 121.738 5.495 19547 4991 1 19 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.559 -0.056 19547 4992 1 19 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.041 0.528 19547 4993 1 19 . 1 1 57 57 ALA CB C 57 18.294 18.294 20.537 -2.243 19547 4994 1 19 . 1 1 57 57 ALA H H 57 8.072 8.072 7.525 0.547 19547 4995 1 19 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.371 -0.057 19547 4996 1 19 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.767 0.598 19547 4997 1 19 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.335 -0.479 19547 4998 1 20 . 1 1 2 2 LEU N N 2 125.858 125.858 127.306 -1.448 19547 4999 1 20 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.937 -0.349 19547 5000 1 20 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.481 -0.304 19547 5001 1 20 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.443 -1.060 19547 5002 1 20 . 1 1 2 2 LEU H H 2 8.415 8.415 8.578 -0.163 19547 5003 1 20 . 1 1 3 3 ILE N N 3 130.863 130.863 125.233 5.630 19547 5004 1 20 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.524 0.329 19547 5005 1 20 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.692 -0.373 19547 5006 1 20 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.627 -1.576 19547 5007 1 20 . 1 1 3 3 ILE H H 3 10.198 10.198 8.302 1.896 19547 5008 1 20 . 1 1 4 4 LEU N N 4 123.561 123.561 125.875 -2.314 19547 5009 1 20 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.681 -0.138 19547 5010 1 20 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.862 -1.455 19547 5011 1 20 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.977 1.373 19547 5012 1 20 . 1 1 4 4 LEU H H 4 8.846 8.846 8.272 0.574 19547 5013 1 20 . 1 1 5 5 THR N N 5 123.256 123.256 117.086 6.170 19547 5014 1 20 . 1 1 5 5 THR HA H 5 5.469 5.469 4.713 0.756 19547 5015 1 20 . 1 1 5 5 THR CA C 5 60.415 60.415 61.487 -1.072 19547 5016 1 20 . 1 1 5 5 THR CB C 5 69.449 69.449 69.750 -0.301 19547 5017 1 20 . 1 1 5 5 THR H H 5 9.094 9.094 8.288 0.806 19547 5018 1 20 . 1 1 6 6 ARG N N 6 123.316 123.316 122.308 1.008 19547 5019 1 20 . 1 1 6 6 ARG HA H 6 4.909 4.909 5.063 -0.154 19547 5020 1 20 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.568 0.488 19547 5021 1 20 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.164 5.556 19547 5022 1 20 . 1 1 6 6 ARG H H 6 9.161 9.161 8.426 0.735 19547 5023 1 20 . 1 1 7 7 LYS N N 7 122.466 122.466 120.967 1.499 19547 5024 1 20 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.624 0.589 19547 5025 1 20 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.192 -1.168 19547 5026 1 20 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.815 -1.906 19547 5027 1 20 . 1 1 7 7 LYS H H 7 9.295 9.295 8.737 0.558 19547 5028 1 20 . 1 1 8 8 VAL N N 8 118.123 118.123 121.297 -3.174 19547 5029 1 20 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.867 -0.589 19547 5030 1 20 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.857 2.057 19547 5031 1 20 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.566 1.023 19547 5032 1 20 . 1 1 8 8 VAL H H 8 7.576 7.576 8.521 -0.945 19547 5033 1 20 . 1 1 9 9 GLY N N 9 116.005 116.005 115.238 0.767 19547 5034 1 20 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.731 -0.149 19547 5035 1 20 . 1 1 9 9 GLY H H 9 9.255 9.255 9.335 -0.080 19547 5036 1 20 . 1 1 10 10 GLU N N 10 119.485 119.485 120.707 -1.222 19547 5037 1 20 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.623 0.259 19547 5038 1 20 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.490 0.202 19547 5039 1 20 . 1 1 10 10 GLU CB C 10 32.583 32.583 31.199 1.384 19547 5040 1 20 . 1 1 10 10 GLU H H 10 8.364 8.364 8.377 -0.013 19547 5041 1 20 . 1 1 11 11 SER N N 11 112.365 112.365 112.589 -0.224 19547 5042 1 20 . 1 1 11 11 SER HA H 11 5.866 5.866 5.254 0.612 19547 5043 1 20 . 1 1 11 11 SER CA C 11 57.942 57.942 57.448 0.494 19547 5044 1 20 . 1 1 11 11 SER CB C 11 67.035 67.035 66.412 0.623 19547 5045 1 20 . 1 1 11 11 SER H H 11 8.620 8.620 8.392 0.228 19547 5046 1 20 . 1 1 12 12 ILE N N 12 124.398 124.398 120.774 3.624 19547 5047 1 20 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.553 -0.211 19547 5048 1 20 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.538 0.361 19547 5049 1 20 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.296 0.495 19547 5050 1 20 . 1 1 12 12 ILE H H 12 9.260 9.260 8.955 0.305 19547 5051 1 20 . 1 1 13 13 ASN N N 13 126.218 126.218 120.946 5.272 19547 5052 1 20 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.084 -0.060 19547 5053 1 20 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.496 0.823 19547 5054 1 20 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.788 -0.325 19547 5055 1 20 . 1 1 13 13 ASN H H 13 9.364 9.364 8.513 0.851 19547 5056 1 20 . 1 1 14 14 ILE N N 14 123.971 123.971 121.535 2.436 19547 5057 1 20 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.445 0.011 19547 5058 1 20 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.764 -0.193 19547 5059 1 20 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.204 -2.680 19547 5060 1 20 . 1 1 14 14 ILE H H 14 8.451 8.451 8.519 -0.068 19547 5061 1 20 . 1 1 15 15 GLY N N 15 115.306 115.306 114.343 0.963 19547 5062 1 20 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.026 0.034 19547 5063 1 20 . 1 1 15 15 GLY H H 15 9.075 9.075 8.574 0.501 19547 5064 1 20 . 1 1 16 16 ASP N N 16 120.409 120.409 120.966 -0.557 19547 5065 1 20 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.702 0.207 19547 5066 1 20 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.080 1.277 19547 5067 1 20 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.303 0.967 19547 5068 1 20 . 1 1 16 16 ASP H H 16 8.713 8.713 8.344 0.369 19547 5069 1 20 . 1 1 17 17 ASP N N 17 115.565 115.565 120.012 -4.447 19547 5070 1 20 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.899 -0.170 19547 5071 1 20 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.692 -0.569 19547 5072 1 20 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.713 -1.195 19547 5073 1 20 . 1 1 17 17 ASP H H 17 8.149 8.149 7.882 0.267 19547 5074 1 20 . 1 1 18 18 ILE N N 18 118.660 118.660 119.520 -0.860 19547 5075 1 20 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.047 0.131 19547 5076 1 20 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.439 -0.285 19547 5077 1 20 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.370 -2.758 19547 5078 1 20 . 1 1 18 18 ILE H H 18 7.181 7.181 7.711 -0.530 19547 5079 1 20 . 1 1 19 19 THR N N 19 122.893 122.893 120.829 2.064 19547 5080 1 20 . 1 1 19 19 THR HA H 19 5.104 5.104 5.002 0.102 19547 5081 1 20 . 1 1 19 19 THR CA C 19 60.949 60.949 61.424 -0.475 19547 5082 1 20 . 1 1 19 19 THR CB C 19 71.669 71.669 72.127 -0.458 19547 5083 1 20 . 1 1 19 19 THR H H 19 8.922 8.922 8.333 0.589 19547 5084 1 20 . 1 1 20 20 ILE N N 20 123.852 123.852 121.563 2.289 19547 5085 1 20 . 1 1 20 20 ILE HA H 20 4.841 4.841 5.035 -0.194 19547 5086 1 20 . 1 1 20 20 ILE CA C 20 58.930 58.930 58.954 -0.024 19547 5087 1 20 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.916 -1.616 19547 5088 1 20 . 1 1 20 20 ILE H H 20 8.930 8.930 9.087 -0.157 19547 5089 1 20 . 1 1 21 21 THR N N 21 123.855 123.855 120.369 3.486 19547 5090 1 20 . 1 1 21 21 THR HA H 21 4.821 4.821 4.888 -0.067 19547 5091 1 20 . 1 1 21 21 THR CA C 21 61.436 61.436 62.045 -0.610 19547 5092 1 20 . 1 1 21 21 THR CB C 21 71.939 71.939 71.958 -0.019 19547 5093 1 20 . 1 1 21 21 THR H H 21 9.372 9.372 8.876 0.496 19547 5094 1 20 . 1 1 22 22 ILE N N 22 125.561 125.561 128.222 -2.661 19547 5095 1 20 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.402 -0.310 19547 5096 1 20 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.650 0.453 19547 5097 1 20 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.649 -3.797 19547 5098 1 20 . 1 1 22 22 ILE H H 22 8.107 8.107 8.452 -0.345 19547 5099 1 20 . 1 1 23 23 LEU N N 23 129.208 129.208 129.518 -0.310 19547 5100 1 20 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.179 0.088 19547 5101 1 20 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.853 -0.363 19547 5102 1 20 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.788 0.445 19547 5103 1 20 . 1 1 23 23 LEU H H 23 8.910 8.910 8.205 0.705 19547 5104 1 20 . 1 1 24 24 GLY N N 24 104.396 104.396 104.564 -0.168 19547 5105 1 20 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.687 1.282 19547 5106 1 20 . 1 1 24 24 GLY H H 24 7.493 7.493 7.583 -0.090 19547 5107 1 20 . 1 1 25 25 VAL N N 25 120.463 120.463 115.612 4.851 19547 5108 1 20 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.962 -0.341 19547 5109 1 20 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.428 3.095 19547 5110 1 20 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.283 0.450 19547 5111 1 20 . 1 1 25 25 VAL H H 25 8.406 8.406 8.251 0.155 19547 5112 1 20 . 1 1 26 26 SER N N 26 121.835 121.835 117.537 4.298 19547 5113 1 20 . 1 1 26 26 SER HA H 26 4.612 4.612 4.662 -0.050 19547 5114 1 20 . 1 1 26 26 SER CA C 26 56.564 56.564 58.120 -1.556 19547 5115 1 20 . 1 1 26 26 SER CB C 26 63.858 63.858 63.276 0.582 19547 5116 1 20 . 1 1 26 26 SER H H 26 8.545 8.545 8.627 -0.082 19547 5117 1 20 . 1 1 27 27 GLY N N 27 118.379 118.379 110.592 7.787 19547 5118 1 20 . 1 1 27 27 GLY CA C 27 47.427 47.427 44.969 2.458 19547 5119 1 20 . 1 1 27 27 GLY H H 27 8.714 8.714 8.323 0.391 19547 5120 1 20 . 1 1 28 28 GLN N N 28 124.776 124.776 122.743 2.033 19547 5121 1 20 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.391 -0.102 19547 5122 1 20 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.112 -1.113 19547 5123 1 20 . 1 1 28 28 GLN CB C 28 29.944 29.944 28.775 1.169 19547 5124 1 20 . 1 1 28 28 GLN H H 28 9.208 9.208 8.541 0.667 19547 5125 1 20 . 1 1 29 29 GLN N N 29 118.507 118.507 118.222 0.285 19547 5126 1 20 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.496 0.076 19547 5127 1 20 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.606 0.780 19547 5128 1 20 . 1 1 29 29 GLN H H 29 8.423 8.423 7.950 0.473 19547 5129 1 20 . 1 1 30 30 VAL N N 30 126.854 126.854 119.275 7.579 19547 5130 1 20 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.309 0.247 19547 5131 1 20 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.337 -0.726 19547 5132 1 20 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.188 -0.895 19547 5133 1 20 . 1 1 30 30 VAL H H 30 9.304 9.304 8.271 1.033 19547 5134 1 20 . 1 1 31 31 ARG N N 31 127.878 127.878 125.878 2.000 19547 5135 1 20 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.798 -0.189 19547 5136 1 20 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.812 0.756 19547 5137 1 20 . 1 1 31 31 ARG CB C 31 31.531 31.531 32.413 -0.882 19547 5138 1 20 . 1 1 31 31 ARG H H 31 8.683 8.683 9.059 -0.376 19547 5139 1 20 . 1 1 32 32 ILE N N 32 127.071 127.071 124.274 2.797 19547 5140 1 20 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.031 -1.376 19547 5141 1 20 . 1 1 32 32 ILE H H 32 8.958 8.958 8.584 0.374 19547 5142 1 20 . 1 1 33 33 GLY N N 33 112.801 112.801 113.116 -0.315 19547 5143 1 20 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.580 0.995 19547 5144 1 20 . 1 1 33 33 GLY H H 33 9.114 9.114 9.005 0.109 19547 5145 1 20 . 1 1 34 34 ILE N N 34 125.117 125.117 119.218 5.899 19547 5146 1 20 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.794 0.009 19547 5147 1 20 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.205 0.588 19547 5148 1 20 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.392 -1.293 19547 5149 1 20 . 1 1 34 34 ILE H H 34 9.566 9.566 8.127 1.439 19547 5150 1 20 . 1 1 35 35 ASN N N 35 129.274 129.274 123.724 5.550 19547 5151 1 20 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.934 0.145 19547 5152 1 20 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.614 -0.428 19547 5153 1 20 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.817 0.499 19547 5154 1 20 . 1 1 35 35 ASN H H 35 8.908 8.908 8.675 0.233 19547 5155 1 20 . 1 1 36 36 ALA N N 36 125.590 125.590 126.905 -1.315 19547 5156 1 20 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.284 -0.222 19547 5157 1 20 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.394 -0.045 19547 5158 1 20 . 1 1 36 36 ALA CB C 36 19.901 19.901 21.001 -1.100 19547 5159 1 20 . 1 1 36 36 ALA H H 36 8.241 8.241 8.014 0.227 19547 5160 1 20 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.517 -0.112 19547 5161 1 20 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.061 0.835 19547 5162 1 20 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.676 -0.274 19547 5163 1 20 . 1 1 38 38 LYS N N 38 120.951 120.951 120.853 0.098 19547 5164 1 20 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.107 -0.344 19547 5165 1 20 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.567 1.265 19547 5166 1 20 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.652 0.276 19547 5167 1 20 . 1 1 38 38 LYS H H 38 8.549 8.549 8.537 0.012 19547 5168 1 20 . 1 1 39 39 ASP N N 39 113.835 113.835 118.841 -5.006 19547 5169 1 20 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.472 -0.126 19547 5170 1 20 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.224 -1.155 19547 5171 1 20 . 1 1 39 39 ASP CB C 39 39.874 39.874 40.949 -1.075 19547 5172 1 20 . 1 1 39 39 ASP H H 39 8.126 8.126 8.408 -0.282 19547 5173 1 20 . 1 1 40 40 VAL N N 40 122.591 122.591 114.398 8.193 19547 5174 1 20 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.446 -0.484 19547 5175 1 20 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.758 2.167 19547 5176 1 20 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.298 -3.453 19547 5177 1 20 . 1 1 40 40 VAL H H 40 8.002 8.002 7.414 0.588 19547 5178 1 20 . 1 1 41 41 ALA N N 41 133.626 133.626 124.820 8.806 19547 5179 1 20 . 1 1 41 41 ALA HA H 41 4.438 4.438 5.021 -0.583 19547 5180 1 20 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.371 0.820 19547 5181 1 20 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.174 -1.124 19547 5182 1 20 . 1 1 41 41 ALA H H 41 8.884 8.884 8.270 0.614 19547 5183 1 20 . 1 1 42 42 VAL N N 42 124.906 124.906 117.680 7.226 19547 5184 1 20 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.475 -0.073 19547 5185 1 20 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.583 -1.022 19547 5186 1 20 . 1 1 42 42 VAL CB C 42 33.611 33.611 33.018 0.593 19547 5187 1 20 . 1 1 42 42 VAL H H 42 7.812 7.812 7.773 0.039 19547 5188 1 20 . 1 1 43 43 HIS N N 43 119.082 119.082 123.308 -4.226 19547 5189 1 20 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.759 0.700 19547 5190 1 20 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.104 -1.161 19547 5191 1 20 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.042 5.338 19547 5192 1 20 . 1 1 43 43 HIS H H 43 8.652 8.652 8.422 0.230 19547 5193 1 20 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.402 -0.453 19547 5194 1 20 . 1 1 44 44 ARG CA C 44 58.374 58.374 55.999 2.374 19547 5195 1 20 . 1 1 45 45 GLU N N 45 126.045 126.045 122.253 3.792 19547 5196 1 20 . 1 1 45 45 GLU HA H 45 4.344 4.344 3.969 0.375 19547 5197 1 20 . 1 1 45 45 GLU CA C 45 59.920 59.920 60.046 -0.126 19547 5198 1 20 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.466 0.614 19547 5199 1 20 . 1 1 45 45 GLU H H 45 7.873 7.873 8.954 -1.081 19547 5200 1 20 . 1 1 46 46 GLU N N 46 118.418 118.418 116.684 1.734 19547 5201 1 20 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.212 0.036 19547 5202 1 20 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.566 0.201 19547 5203 1 20 . 1 1 46 46 GLU CB C 46 27.225 27.225 28.795 -1.570 19547 5204 1 20 . 1 1 46 46 GLU H H 46 10.810 10.810 8.858 1.952 19547 5205 1 20 . 1 1 47 47 ILE N N 47 122.170 122.170 119.290 2.880 19547 5206 1 20 . 1 1 47 47 ILE HA H 47 3.816 3.816 4.109 -0.293 19547 5207 1 20 . 1 1 47 47 ILE CA C 47 61.278 61.278 61.548 -0.270 19547 5208 1 20 . 1 1 47 47 ILE CB C 47 35.483 35.483 39.198 -3.715 19547 5209 1 20 . 1 1 47 47 ILE H H 47 7.221 7.221 7.815 -0.594 19547 5210 1 20 . 1 1 48 48 TYR N N 48 122.213 122.213 123.044 -0.831 19547 5211 1 20 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.927 -0.274 19547 5212 1 20 . 1 1 48 48 TYR CA C 48 62.020 62.020 62.054 -0.034 19547 5213 1 20 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.541 0.509 19547 5214 1 20 . 1 1 48 48 TYR H H 48 8.115 8.115 8.825 -0.710 19547 5215 1 20 . 1 1 49 49 GLN N N 49 115.426 115.426 116.673 -1.247 19547 5216 1 20 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.963 -0.117 19547 5217 1 20 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.163 0.283 19547 5218 1 20 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.561 -0.369 19547 5219 1 20 . 1 1 49 49 GLN H H 49 8.602 8.602 8.068 0.534 19547 5220 1 20 . 1 1 50 50 ARG N N 50 120.058 120.058 116.303 3.755 19547 5221 1 20 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.204 -0.214 19547 5222 1 20 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.051 1.962 19547 5223 1 20 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.270 0.023 19547 5224 1 20 . 1 1 50 50 ARG H H 50 7.171 7.171 7.557 -0.386 19547 5225 1 20 . 1 1 51 51 ILE N N 51 120.766 120.766 119.341 1.425 19547 5226 1 20 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.792 -0.163 19547 5227 1 20 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.568 0.737 19547 5228 1 20 . 1 1 51 51 ILE CB C 51 37.943 37.943 38.218 -0.275 19547 5229 1 20 . 1 1 51 51 ILE H H 51 7.893 7.893 7.215 0.678 19547 5230 1 20 . 1 1 52 52 GLN N N 52 119.013 119.013 117.631 1.382 19547 5231 1 20 . 1 1 52 52 GLN HA H 52 3.822 3.822 3.989 -0.167 19547 5232 1 20 . 1 1 52 52 GLN CA C 52 57.428 57.428 56.495 0.934 19547 5233 1 20 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.402 0.878 19547 5234 1 20 . 1 1 52 52 GLN H H 52 7.907 7.907 7.462 0.445 19547 5235 1 20 . 1 1 53 53 ALA N N 53 120.605 120.605 120.649 -0.044 19547 5236 1 20 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.159 0.027 19547 5237 1 20 . 1 1 53 53 ALA CA C 53 53.157 53.157 53.081 0.076 19547 5238 1 20 . 1 1 53 53 ALA CB C 53 18.644 18.644 18.891 -0.247 19547 5239 1 20 . 1 1 53 53 ALA H H 53 7.592 7.592 7.842 -0.250 19547 5240 1 20 . 1 1 54 54 GLY N N 54 105.866 105.866 104.142 1.724 19547 5241 1 20 . 1 1 54 54 GLY CA C 54 45.622 45.622 45.029 0.593 19547 5242 1 20 . 1 1 54 54 GLY H H 54 7.720 7.720 7.719 0.001 19547 5243 1 20 . 1 1 55 55 LEU N N 55 120.773 120.773 116.264 4.509 19547 5244 1 20 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.999 -0.673 19547 5245 1 20 . 1 1 55 55 LEU CA C 55 55.105 55.105 53.894 1.211 19547 5246 1 20 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.570 -0.323 19547 5247 1 20 . 1 1 55 55 LEU H H 55 7.697 7.697 7.749 -0.052 19547 5248 1 20 . 1 1 56 56 THR N N 56 113.079 113.079 112.736 0.343 19547 5249 1 20 . 1 1 56 56 THR HA H 56 4.253 4.253 4.425 -0.172 19547 5250 1 20 . 1 1 56 56 THR CA C 56 61.320 61.320 61.660 -0.340 19547 5251 1 20 . 1 1 56 56 THR CB C 56 69.885 69.885 69.724 0.161 19547 5252 1 20 . 1 1 56 56 THR H H 56 7.743 7.743 8.283 -0.540 19547 5253 1 20 . 1 1 57 57 ALA N N 57 127.233 127.233 124.964 2.269 19547 5254 1 20 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.762 -0.259 19547 5255 1 20 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.432 0.137 19547 5256 1 20 . 1 1 57 57 ALA CB C 57 18.294 18.294 20.276 -1.982 19547 5257 1 20 . 1 1 57 57 ALA H H 57 8.072 8.072 7.521 0.551 19547 5258 1 20 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.388 -0.074 19547 5259 1 20 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.298 1.066 19547 5260 1 20 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.400 -0.544 19547 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 54 3.785 -1.808 3.357 19547 2 1 1 "Average Difference" HA 62 0.336 0.020 0.339 19547 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19547 4 1 1 "Average Difference" CA 55 1.127 -0.252 1.109 19547 5 1 1 "Average Difference" CB 50 1.667 0.228 1.668 19547 6 1 1 "Average Difference" HN 54 0.631 -0.283 0.570 19547 7 1 2 "Average Difference" N 54 3.840 -1.935 3.348 19547 8 1 2 "Average Difference" HA 62 0.331 -0.011 0.333 19547 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19547 10 1 2 "Average Difference" CA 55 1.126 -0.126 1.129 19547 11 1 2 "Average Difference" CB 50 1.702 0.293 1.693 19547 12 1 2 "Average Difference" HN 54 0.668 -0.272 0.616 19547 13 1 3 "Average Difference" N 54 3.832 -1.875 3.373 19547 14 1 3 "Average Difference" HA 62 0.337 0.021 0.339 19547 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19547 16 1 3 "Average Difference" CA 55 1.099 -0.191 1.093 19547 17 1 3 "Average Difference" CB 50 1.695 0.245 1.695 19547 18 1 3 "Average Difference" HN 54 0.664 -0.263 0.615 19547 19 1 4 "Average Difference" N 54 3.743 -1.741 3.345 19547 20 1 4 "Average Difference" HA 62 0.344 0.014 0.346 19547 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19547 22 1 4 "Average Difference" CA 55 0.989 -0.236 0.969 19547 23 1 4 "Average Difference" CB 50 1.729 0.239 1.730 19547 24 1 4 "Average Difference" HN 54 0.642 -0.246 0.599 19547 25 1 5 "Average Difference" N 54 3.868 -1.952 3.371 19547 26 1 5 "Average Difference" HA 62 0.328 0.001 0.331 19547 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19547 28 1 5 "Average Difference" CA 55 1.149 -0.154 1.149 19547 29 1 5 "Average Difference" CB 50 1.759 0.295 1.752 19547 30 1 5 "Average Difference" HN 54 0.675 -0.296 0.613 19547 31 1 6 "Average Difference" N 54 3.799 -1.828 3.362 19547 32 1 6 "Average Difference" HA 62 0.328 0.003 0.331 19547 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19547 34 1 6 "Average Difference" CA 55 1.171 -0.187 1.166 19547 35 1 6 "Average Difference" CB 50 1.682 0.323 1.668 19547 36 1 6 "Average Difference" HN 54 0.665 -0.301 0.599 19547 37 1 7 "Average Difference" N 54 3.830 -1.830 3.396 19547 38 1 7 "Average Difference" HA 62 0.328 0.013 0.330 19547 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19547 40 1 7 "Average Difference" CA 55 1.162 -0.223 1.151 19547 41 1 7 "Average Difference" CB 50 1.671 0.166 1.679 19547 42 1 7 "Average Difference" HN 54 0.660 -0.299 0.594 19547 43 1 8 "Average Difference" N 54 3.802 -1.832 3.363 19547 44 1 8 "Average Difference" HA 62 0.337 0.018 0.339 19547 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19547 46 1 8 "Average Difference" CA 55 1.064 -0.208 1.054 19547 47 1 8 "Average Difference" CB 50 1.730 0.308 1.720 19547 48 1 8 "Average Difference" HN 54 0.676 -0.290 0.617 19547 49 1 9 "Average Difference" N 54 3.721 -1.778 3.299 19547 50 1 9 "Average Difference" HA 62 0.327 0.005 0.329 19547 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19547 52 1 9 "Average Difference" CA 55 1.095 -0.230 1.081 19547 53 1 9 "Average Difference" CB 50 1.719 0.286 1.712 19547 54 1 9 "Average Difference" HN 54 0.651 -0.277 0.595 19547 55 1 10 "Average Difference" N 54 3.710 -1.776 3.288 19547 56 1 10 "Average Difference" HA 62 0.332 -0.006 0.335 19547 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19547 58 1 10 "Average Difference" CA 55 1.156 -0.145 1.157 19547 59 1 10 "Average Difference" CB 50 1.710 0.189 1.716 19547 60 1 10 "Average Difference" HN 54 0.633 -0.262 0.582 19547 61 1 11 "Average Difference" N 54 3.738 -1.663 3.380 19547 62 1 11 "Average Difference" HA 62 0.325 0.003 0.328 19547 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19547 64 1 11 "Average Difference" CA 55 1.131 -0.184 1.126 19547 65 1 11 "Average Difference" CB 50 1.737 0.228 1.740 19547 66 1 11 "Average Difference" HN 54 0.654 -0.275 0.599 19547 67 1 12 "Average Difference" N 54 3.616 -1.755 3.191 19547 68 1 12 "Average Difference" HA 62 0.338 0.013 0.340 19547 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19547 70 1 12 "Average Difference" CA 55 1.072 -0.279 1.044 19547 71 1 12 "Average Difference" CB 50 1.732 0.253 1.731 19547 72 1 12 "Average Difference" HN 54 0.657 -0.266 0.606 19547 73 1 13 "Average Difference" N 54 3.744 -1.744 3.343 19547 74 1 13 "Average Difference" HA 62 0.354 0.012 0.356 19547 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19547 76 1 13 "Average Difference" CA 55 1.185 -0.261 1.167 19547 77 1 13 "Average Difference" CB 50 1.803 0.266 1.801 19547 78 1 13 "Average Difference" HN 54 0.649 -0.253 0.603 19547 79 1 14 "Average Difference" N 54 3.847 -1.927 3.361 19547 80 1 14 "Average Difference" HA 62 0.328 0.002 0.331 19547 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19547 82 1 14 "Average Difference" CA 55 1.090 -0.152 1.089 19547 83 1 14 "Average Difference" CB 50 1.730 0.267 1.727 19547 84 1 14 "Average Difference" HN 54 0.671 -0.289 0.611 19547 85 1 15 "Average Difference" N 54 3.773 -1.888 3.297 19547 86 1 15 "Average Difference" HA 62 0.325 0.002 0.328 19547 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19547 88 1 15 "Average Difference" CA 55 1.187 -0.240 1.173 19547 89 1 15 "Average Difference" CB 50 1.730 0.288 1.724 19547 90 1 15 "Average Difference" HN 54 0.681 -0.302 0.617 19547 91 1 16 "Average Difference" N 54 3.656 -1.768 3.231 19547 92 1 16 "Average Difference" HA 62 0.332 0.015 0.335 19547 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19547 94 1 16 "Average Difference" CA 55 1.119 -0.303 1.087 19547 95 1 16 "Average Difference" CB 50 1.741 0.301 1.733 19547 96 1 16 "Average Difference" HN 54 0.680 -0.278 0.626 19547 97 1 17 "Average Difference" N 54 3.797 -1.968 3.277 19547 98 1 17 "Average Difference" HA 62 0.317 0.020 0.319 19547 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19547 100 1 17 "Average Difference" CA 55 1.091 -0.272 1.066 19547 101 1 17 "Average Difference" CB 50 1.710 0.322 1.696 19547 102 1 17 "Average Difference" HN 54 0.652 -0.256 0.605 19547 103 1 18 "Average Difference" N 54 3.780 -1.905 3.295 19547 104 1 18 "Average Difference" HA 62 0.350 0.005 0.353 19547 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19547 106 1 18 "Average Difference" CA 55 1.132 -0.176 1.129 19547 107 1 18 "Average Difference" CB 50 1.693 0.288 1.686 19547 108 1 18 "Average Difference" HN 54 0.672 -0.272 0.620 19547 109 1 19 "Average Difference" N 54 3.824 -1.919 3.339 19547 110 1 19 "Average Difference" HA 62 0.329 -0.007 0.332 19547 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19547 112 1 19 "Average Difference" CA 55 1.133 -0.200 1.126 19547 113 1 19 "Average Difference" CB 50 1.719 0.306 1.709 19547 114 1 19 "Average Difference" HN 54 0.640 -0.261 0.590 19547 115 1 20 "Average Difference" N 54 3.722 -1.779 3.300 19547 116 1 20 "Average Difference" HA 62 0.341 0.024 0.343 19547 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19547 118 1 20 "Average Difference" CA 55 1.067 -0.273 1.041 19547 119 1 20 "Average Difference" CB 50 1.750 0.289 1.744 19547 120 1 20 "Average Difference" HN 54 0.639 -0.238 0.598 19547 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 19547 _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 LEU N N 2 125.858 125.858 126.697 -0.839 19547 2 1 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.868 -0.280 19547 3 1 . 1 1 2 2 LEU CA C 2 54.177 54.177 54.845 -0.668 19547 4 1 . 1 1 2 2 LEU CB C 2 42.383 42.383 43.142 -0.759 19547 5 1 . 1 1 2 2 LEU H H 2 8.415 8.415 8.508 -0.093 19547 6 1 . 1 1 3 3 ILE N N 3 130.863 130.863 124.187 6.676 19547 7 1 . 1 1 3 3 ILE HA H 3 4.853 4.853 4.473 0.380 19547 8 1 . 1 1 3 3 ILE CA C 3 60.319 60.319 60.811 -0.492 19547 9 1 . 1 1 3 3 ILE CB C 3 38.051 38.051 39.390 -1.339 19547 10 1 . 1 1 3 3 ILE H H 3 10.198 10.198 8.303 1.895 19547 11 1 . 1 1 4 4 LEU N N 4 123.561 123.561 125.726 -2.165 19547 12 1 . 1 1 4 4 LEU HA H 4 4.543 4.543 4.690 -0.147 19547 13 1 . 1 1 4 4 LEU CA C 4 52.407 52.407 53.929 -1.522 19547 14 1 . 1 1 4 4 LEU CB C 4 46.350 46.350 44.953 1.397 19547 15 1 . 1 1 4 4 LEU H H 4 8.846 8.846 8.277 0.569 19547 16 1 . 1 1 5 5 THR N N 5 123.256 123.256 116.903 6.353 19547 17 1 . 1 1 5 5 THR HA H 5 5.469 5.469 4.714 0.755 19547 18 1 . 1 1 5 5 THR CA C 5 60.415 60.415 61.512 -1.097 19547 19 1 . 1 1 5 5 THR CB C 5 69.449 69.449 69.681 -0.232 19547 20 1 . 1 1 5 5 THR H H 5 9.094 9.094 8.279 0.815 19547 21 1 . 1 1 6 6 ARG N N 6 123.316 123.316 122.852 0.464 19547 22 1 . 1 1 6 6 ARG HA H 6 4.909 4.909 4.856 0.053 19547 23 1 . 1 1 6 6 ARG CA C 6 55.056 55.056 54.819 0.237 19547 24 1 . 1 1 6 6 ARG CB C 6 38.720 38.720 33.255 5.464 19547 25 1 . 1 1 6 6 ARG H H 6 9.161 9.161 8.437 0.724 19547 26 1 . 1 1 7 7 LYS N N 7 122.466 122.466 121.132 1.334 19547 27 1 . 1 1 7 7 LYS HA H 7 5.213 5.213 4.599 0.614 19547 28 1 . 1 1 7 7 LYS CA C 7 54.024 54.024 55.196 -1.172 19547 29 1 . 1 1 7 7 LYS CB C 7 33.909 33.909 35.286 -1.377 19547 30 1 . 1 1 7 7 LYS H H 7 9.295 9.295 8.713 0.582 19547 31 1 . 1 1 8 8 VAL N N 8 118.123 118.123 119.636 -1.513 19547 32 1 . 1 1 8 8 VAL HA H 8 3.278 3.278 3.913 -0.636 19547 33 1 . 1 1 8 8 VAL CA C 8 65.914 65.914 63.396 2.518 19547 34 1 . 1 1 8 8 VAL CB C 8 31.589 31.589 30.695 0.894 19547 35 1 . 1 1 8 8 VAL H H 8 7.576 7.576 8.387 -0.811 19547 36 1 . 1 1 9 9 GLY N N 9 116.005 116.005 115.386 0.619 19547 37 1 . 1 1 9 9 GLY CA C 9 44.582 44.582 44.795 -0.213 19547 38 1 . 1 1 9 9 GLY H H 9 9.255 9.255 9.191 0.064 19547 39 1 . 1 1 10 10 GLU N N 10 119.485 119.485 120.302 -0.817 19547 40 1 . 1 1 10 10 GLU HA H 10 4.882 4.882 4.689 0.193 19547 41 1 . 1 1 10 10 GLU CA C 10 55.692 55.692 55.057 0.635 19547 42 1 . 1 1 10 10 GLU CB C 10 32.583 32.583 32.018 0.565 19547 43 1 . 1 1 10 10 GLU H H 10 8.364 8.364 8.102 0.262 19547 44 1 . 1 1 11 11 SER N N 11 112.365 112.365 113.272 -0.907 19547 45 1 . 1 1 11 11 SER HA H 11 5.866 5.866 5.376 0.490 19547 46 1 . 1 1 11 11 SER CA C 11 57.942 57.942 57.134 0.808 19547 47 1 . 1 1 11 11 SER CB C 11 67.035 67.035 66.244 0.791 19547 48 1 . 1 1 11 11 SER H H 11 8.620 8.620 8.378 0.242 19547 49 1 . 1 1 12 12 ILE N N 12 124.398 124.398 120.438 3.960 19547 50 1 . 1 1 12 12 ILE HA H 12 4.342 4.342 4.485 -0.143 19547 51 1 . 1 1 12 12 ILE CA C 12 59.899 59.899 59.707 0.192 19547 52 1 . 1 1 12 12 ILE CB C 12 42.791 42.791 42.643 0.148 19547 53 1 . 1 1 12 12 ILE H H 12 9.260 9.260 8.925 0.335 19547 54 1 . 1 1 13 13 ASN N N 13 126.218 126.218 121.033 5.184 19547 55 1 . 1 1 13 13 ASN HA H 13 5.024 5.024 5.118 -0.094 19547 56 1 . 1 1 13 13 ASN CA C 13 53.319 53.319 52.391 0.927 19547 57 1 . 1 1 13 13 ASN CB C 13 41.462 41.462 41.620 -0.158 19547 58 1 . 1 1 13 13 ASN H H 13 9.364 9.364 8.485 0.879 19547 59 1 . 1 1 14 14 ILE N N 14 123.971 123.971 121.619 2.352 19547 60 1 . 1 1 14 14 ILE HA H 14 4.456 4.456 4.437 0.019 19547 61 1 . 1 1 14 14 ILE CA C 14 60.571 60.571 60.753 -0.182 19547 62 1 . 1 1 14 14 ILE CB C 14 38.524 38.524 41.255 -2.731 19547 63 1 . 1 1 14 14 ILE H H 14 8.451 8.451 8.499 -0.048 19547 64 1 . 1 1 15 15 GLY N N 15 115.306 115.306 114.206 1.100 19547 65 1 . 1 1 15 15 GLY CA C 15 46.060 46.060 46.016 0.044 19547 66 1 . 1 1 15 15 GLY H H 15 9.075 9.075 8.589 0.486 19547 67 1 . 1 1 16 16 ASP N N 16 120.409 120.409 121.438 -1.029 19547 68 1 . 1 1 16 16 ASP HA H 16 4.909 4.909 4.712 0.197 19547 69 1 . 1 1 16 16 ASP CA C 16 55.357 55.357 54.130 1.227 19547 70 1 . 1 1 16 16 ASP CB C 16 42.270 42.270 41.346 0.924 19547 71 1 . 1 1 16 16 ASP H H 16 8.713 8.713 8.360 0.353 19547 72 1 . 1 1 17 17 ASP N N 17 115.565 115.565 119.969 -4.404 19547 73 1 . 1 1 17 17 ASP HA H 17 4.729 4.729 4.901 -0.172 19547 74 1 . 1 1 17 17 ASP CA C 17 54.123 54.123 54.639 -0.516 19547 75 1 . 1 1 17 17 ASP CB C 17 42.518 42.518 43.710 -1.192 19547 76 1 . 1 1 17 17 ASP H H 17 8.149 8.149 7.867 0.282 19547 77 1 . 1 1 18 18 ILE N N 18 118.660 118.660 119.627 -0.967 19547 78 1 . 1 1 18 18 ILE HA H 18 5.178 5.178 5.082 0.096 19547 79 1 . 1 1 18 18 ILE CA C 18 60.154 60.154 60.334 -0.181 19547 80 1 . 1 1 18 18 ILE CB C 18 39.612 39.612 42.379 -2.767 19547 81 1 . 1 1 18 18 ILE H H 18 7.181 7.181 7.710 -0.529 19547 82 1 . 1 1 19 19 THR N N 19 122.893 122.893 120.721 2.172 19547 83 1 . 1 1 19 19 THR HA H 19 5.104 5.104 5.038 0.066 19547 84 1 . 1 1 19 19 THR CA C 19 60.949 60.949 61.523 -0.574 19547 85 1 . 1 1 19 19 THR CB C 19 71.669 71.669 72.357 -0.688 19547 86 1 . 1 1 19 19 THR H H 19 8.922 8.922 8.470 0.452 19547 87 1 . 1 1 20 20 ILE N N 20 123.852 123.852 121.843 2.009 19547 88 1 . 1 1 20 20 ILE HA H 20 4.841 4.841 4.950 -0.109 19547 89 1 . 1 1 20 20 ILE CA C 20 58.930 58.930 59.086 -0.156 19547 90 1 . 1 1 20 20 ILE CB C 20 40.300 40.300 41.919 -1.619 19547 91 1 . 1 1 20 20 ILE H H 20 8.930 8.930 9.117 -0.187 19547 92 1 . 1 1 21 21 THR N N 21 123.855 123.855 120.115 3.740 19547 93 1 . 1 1 21 21 THR HA H 21 4.821 4.821 4.941 -0.120 19547 94 1 . 1 1 21 21 THR CA C 21 61.436 61.436 61.793 -0.357 19547 95 1 . 1 1 21 21 THR CB C 21 71.939 71.939 72.031 -0.092 19547 96 1 . 1 1 21 21 THR H H 21 9.372 9.372 8.809 0.563 19547 97 1 . 1 1 22 22 ILE N N 22 125.561 125.561 127.981 -2.420 19547 98 1 . 1 1 22 22 ILE HA H 22 4.092 4.092 4.445 -0.353 19547 99 1 . 1 1 22 22 ILE CA C 22 59.103 59.103 58.632 0.471 19547 100 1 . 1 1 22 22 ILE CB C 22 33.852 33.852 37.812 -3.959 19547 101 1 . 1 1 22 22 ILE H H 22 8.107 8.107 8.477 -0.371 19547 102 1 . 1 1 23 23 LEU N N 23 129.208 129.208 129.326 -0.118 19547 103 1 . 1 1 23 23 LEU HA H 23 4.267 4.267 4.238 0.029 19547 104 1 . 1 1 23 23 LEU CA C 23 55.490 55.490 55.855 -0.365 19547 105 1 . 1 1 23 23 LEU CB C 23 42.233 42.233 41.766 0.467 19547 106 1 . 1 1 23 23 LEU H H 23 8.910 8.910 8.255 0.655 19547 107 1 . 1 1 24 24 GLY N N 24 104.396 104.396 104.454 -0.058 19547 108 1 . 1 1 24 24 GLY CA C 24 45.968 45.968 44.825 1.143 19547 109 1 . 1 1 24 24 GLY H H 24 7.493 7.493 7.615 -0.122 19547 110 1 . 1 1 25 25 VAL N N 25 120.463 120.463 115.950 4.513 19547 111 1 . 1 1 25 25 VAL HA H 25 4.621 4.621 4.723 -0.102 19547 112 1 . 1 1 25 25 VAL CA C 25 61.523 61.523 58.998 2.525 19547 113 1 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.287 0.446 19547 114 1 . 1 1 25 25 VAL H H 25 8.406 8.406 8.166 0.240 19547 115 1 . 1 1 26 26 SER N N 26 121.835 121.835 117.413 4.422 19547 116 1 . 1 1 26 26 SER HA H 26 4.612 4.612 4.696 -0.084 19547 117 1 . 1 1 26 26 SER CA C 26 56.564 56.564 58.101 -1.537 19547 118 1 . 1 1 26 26 SER CB C 26 63.858 63.858 63.608 0.250 19547 119 1 . 1 1 26 26 SER H H 26 8.545 8.545 8.804 -0.259 19547 120 1 . 1 1 27 27 GLY N N 27 118.379 118.379 110.792 7.587 19547 121 1 . 1 1 27 27 GLY CA C 27 47.427 47.427 45.108 2.319 19547 122 1 . 1 1 27 27 GLY H H 27 8.714 8.714 8.328 0.386 19547 123 1 . 1 1 28 28 GLN N N 28 124.776 124.776 122.440 2.336 19547 124 1 . 1 1 28 28 GLN HA H 28 4.289 4.289 4.411 -0.122 19547 125 1 . 1 1 28 28 GLN CA C 28 54.999 54.999 56.044 -1.045 19547 126 1 . 1 1 28 28 GLN CB C 28 29.944 29.944 29.017 0.927 19547 127 1 . 1 1 28 28 GLN H H 28 9.208 9.208 8.528 0.680 19547 128 1 . 1 1 29 29 GLN N N 29 118.507 118.507 118.639 -0.132 19547 129 1 . 1 1 29 29 GLN HA H 29 4.572 4.572 4.505 0.067 19547 130 1 . 1 1 29 29 GLN CB C 29 31.386 31.386 30.696 0.690 19547 131 1 . 1 1 29 29 GLN H H 29 8.423 8.423 7.887 0.536 19547 132 1 . 1 1 30 30 VAL N N 30 126.854 126.854 119.934 6.920 19547 133 1 . 1 1 30 30 VAL HA H 30 4.556 4.556 4.345 0.211 19547 134 1 . 1 1 30 30 VAL CA C 30 60.611 60.611 61.274 -0.663 19547 135 1 . 1 1 30 30 VAL CB C 30 34.293 34.293 35.023 -0.730 19547 136 1 . 1 1 30 30 VAL H H 30 9.304 9.304 8.326 0.978 19547 137 1 . 1 1 31 31 ARG N N 31 127.878 127.878 125.757 2.121 19547 138 1 . 1 1 31 31 ARG HA H 31 4.609 4.609 4.775 -0.166 19547 139 1 . 1 1 31 31 ARG CA C 31 55.568 55.568 54.798 0.770 19547 140 1 . 1 1 31 31 ARG CB C 31 31.531 31.531 32.602 -1.071 19547 141 1 . 1 1 31 31 ARG H H 31 8.683 8.683 8.972 -0.289 19547 142 1 . 1 1 32 32 ILE N N 32 127.071 127.071 123.456 3.615 19547 143 1 . 1 1 32 32 ILE CB C 32 40.655 40.655 42.314 -1.659 19547 144 1 . 1 1 32 32 ILE H H 32 8.958 8.958 8.557 0.401 19547 145 1 . 1 1 33 33 GLY N N 33 112.801 112.801 112.796 0.005 19547 146 1 . 1 1 33 33 GLY CA C 33 44.575 44.575 43.633 0.942 19547 147 1 . 1 1 33 33 GLY H H 33 9.114 9.114 8.986 0.128 19547 148 1 . 1 1 34 34 ILE N N 34 125.117 125.117 119.140 5.977 19547 149 1 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.750 0.053 19547 150 1 . 1 1 34 34 ILE CA C 34 60.793 60.793 60.276 0.517 19547 151 1 . 1 1 34 34 ILE CB C 34 41.099 41.099 42.355 -1.256 19547 152 1 . 1 1 34 34 ILE H H 34 9.566 9.566 8.124 1.442 19547 153 1 . 1 1 35 35 ASN N N 35 129.274 129.274 123.812 5.462 19547 154 1 . 1 1 35 35 ASN HA H 35 5.079 5.079 4.944 0.135 19547 155 1 . 1 1 35 35 ASN CA C 35 52.186 52.186 52.566 -0.380 19547 156 1 . 1 1 35 35 ASN CB C 35 40.316 40.316 39.911 0.405 19547 157 1 . 1 1 35 35 ASN H H 35 8.908 8.908 8.702 0.206 19547 158 1 . 1 1 36 36 ALA N N 36 125.590 125.590 127.106 -1.516 19547 159 1 . 1 1 36 36 ALA HA H 36 5.062 5.062 5.290 -0.228 19547 160 1 . 1 1 36 36 ALA CA C 36 49.349 49.349 49.347 0.002 19547 161 1 . 1 1 36 36 ALA CB C 36 19.901 19.901 20.983 -1.082 19547 162 1 . 1 1 36 36 ALA H H 36 8.241 8.241 8.049 0.192 19547 163 1 . 1 1 37 37 PRO HA H 37 4.405 4.405 4.562 -0.158 19547 164 1 . 1 1 37 37 PRO CA C 37 62.896 62.896 62.129 0.767 19547 165 1 . 1 1 37 37 PRO CB C 37 32.402 32.402 32.550 -0.148 19547 166 1 . 1 1 38 38 LYS N N 38 120.951 120.951 120.494 0.457 19547 167 1 . 1 1 38 38 LYS HA H 38 3.763 3.763 4.119 -0.356 19547 168 1 . 1 1 38 38 LYS CA C 38 58.832 58.832 57.609 1.223 19547 169 1 . 1 1 38 38 LYS CB C 38 31.928 31.928 31.722 0.206 19547 170 1 . 1 1 38 38 LYS H H 38 8.549 8.549 8.530 0.019 19547 171 1 . 1 1 39 39 ASP N N 39 113.835 113.835 118.643 -4.808 19547 172 1 . 1 1 39 39 ASP HA H 39 4.346 4.346 4.498 -0.152 19547 173 1 . 1 1 39 39 ASP CA C 39 54.069 54.069 55.137 -1.068 19547 174 1 . 1 1 39 39 ASP CB C 39 39.874 39.874 41.030 -1.156 19547 175 1 . 1 1 39 39 ASP H H 39 8.126 8.126 8.309 -0.183 19547 176 1 . 1 1 40 40 VAL N N 40 122.591 122.591 114.268 8.323 19547 177 1 . 1 1 40 40 VAL HA H 40 3.962 3.962 4.455 -0.493 19547 178 1 . 1 1 40 40 VAL CA C 40 61.925 61.925 59.782 2.143 19547 179 1 . 1 1 40 40 VAL CB C 40 31.845 31.845 35.422 -3.577 19547 180 1 . 1 1 40 40 VAL H H 40 8.002 8.002 7.433 0.569 19547 181 1 . 1 1 41 41 ALA N N 41 133.626 133.626 125.525 8.101 19547 182 1 . 1 1 41 41 ALA HA H 41 4.438 4.438 4.956 -0.518 19547 183 1 . 1 1 41 41 ALA CA C 41 52.191 52.191 51.425 0.766 19547 184 1 . 1 1 41 41 ALA CB C 41 19.050 19.050 20.036 -0.986 19547 185 1 . 1 1 41 41 ALA H H 41 8.884 8.884 8.262 0.622 19547 186 1 . 1 1 42 42 VAL N N 42 124.906 124.906 118.098 6.808 19547 187 1 . 1 1 42 42 VAL HA H 42 4.402 4.402 4.418 -0.016 19547 188 1 . 1 1 42 42 VAL CA C 42 60.561 60.561 61.641 -1.079 19547 189 1 . 1 1 42 42 VAL CB C 42 33.611 33.611 32.996 0.615 19547 190 1 . 1 1 42 42 VAL H H 42 7.812 7.812 7.760 0.052 19547 191 1 . 1 1 43 43 HIS N N 43 119.082 119.082 123.726 -4.644 19547 192 1 . 1 1 43 43 HIS HA H 43 5.459 5.459 4.808 0.651 19547 193 1 . 1 1 43 43 HIS CA C 43 53.943 53.943 55.241 -1.298 19547 194 1 . 1 1 43 43 HIS CB C 43 37.380 37.380 32.294 5.086 19547 195 1 . 1 1 43 43 HIS H H 43 8.652 8.652 8.342 0.310 19547 196 1 . 1 1 44 44 ARG HA H 44 3.949 3.949 4.410 -0.461 19547 197 1 . 1 1 44 44 ARG CA C 44 58.374 58.374 56.028 2.346 19547 198 1 . 1 1 45 45 GLU N N 45 126.045 126.045 122.225 3.820 19547 199 1 . 1 1 45 45 GLU HA H 45 4.344 4.344 4.003 0.341 19547 200 1 . 1 1 45 45 GLU CA C 45 59.920 59.920 59.805 0.115 19547 201 1 . 1 1 45 45 GLU CB C 45 30.080 30.080 29.458 0.622 19547 202 1 . 1 1 45 45 GLU H H 45 7.873 7.873 8.986 -1.113 19547 203 1 . 1 1 46 46 GLU N N 46 118.418 118.418 117.798 0.620 19547 204 1 . 1 1 46 46 GLU HA H 46 4.248 4.248 4.159 0.089 19547 205 1 . 1 1 46 46 GLU CA C 46 58.767 58.767 58.783 -0.016 19547 206 1 . 1 1 46 46 GLU CB C 46 27.225 27.225 29.139 -1.914 19547 207 1 . 1 1 46 46 GLU H H 46 10.810 10.810 8.593 2.217 19547 208 1 . 1 1 47 47 ILE N N 47 122.170 122.170 118.570 3.600 19547 209 1 . 1 1 47 47 ILE HA H 47 3.816 3.816 3.940 -0.124 19547 210 1 . 1 1 47 47 ILE CA C 47 61.278 61.278 62.419 -1.141 19547 211 1 . 1 1 47 47 ILE CB C 47 35.483 35.483 38.383 -2.900 19547 212 1 . 1 1 47 47 ILE H H 47 7.221 7.221 7.642 -0.421 19547 213 1 . 1 1 48 48 TYR N N 48 122.213 122.213 122.388 -0.176 19547 214 1 . 1 1 48 48 TYR HA H 48 3.653 3.653 3.939 -0.286 19547 215 1 . 1 1 48 48 TYR CA C 48 62.020 62.020 61.986 0.034 19547 216 1 . 1 1 48 48 TYR CB C 48 39.050 39.050 38.320 0.730 19547 217 1 . 1 1 48 48 TYR H H 48 8.115 8.115 8.705 -0.590 19547 218 1 . 1 1 49 49 GLN N N 49 115.426 115.426 116.627 -1.201 19547 219 1 . 1 1 49 49 GLN HA H 49 3.846 3.846 3.955 -0.109 19547 220 1 . 1 1 49 49 GLN CA C 49 58.445 58.445 58.128 0.317 19547 221 1 . 1 1 49 49 GLN CB C 49 28.192 28.192 28.531 -0.339 19547 222 1 . 1 1 49 49 GLN H H 49 8.602 8.602 7.872 0.730 19547 223 1 . 1 1 50 50 ARG N N 50 120.058 120.058 116.747 3.311 19547 224 1 . 1 1 50 50 ARG HA H 50 3.990 3.990 4.182 -0.192 19547 225 1 . 1 1 50 50 ARG CA C 50 59.013 59.013 57.354 1.659 19547 226 1 . 1 1 50 50 ARG CB C 50 30.293 30.293 30.181 0.112 19547 227 1 . 1 1 50 50 ARG H H 50 7.171 7.171 7.636 -0.464 19547 228 1 . 1 1 51 51 ILE N N 51 120.766 120.766 119.450 1.316 19547 229 1 . 1 1 51 51 ILE HA H 51 3.629 3.629 3.750 -0.121 19547 230 1 . 1 1 51 51 ILE CA C 51 64.305 64.305 63.346 0.959 19547 231 1 . 1 1 51 51 ILE CB C 51 37.943 37.943 37.590 0.353 19547 232 1 . 1 1 51 51 ILE H H 51 7.893 7.893 7.180 0.713 19547 233 1 . 1 1 52 52 GLN N N 52 119.013 119.013 117.124 1.889 19547 234 1 . 1 1 52 52 GLN HA H 52 3.822 3.822 4.061 -0.239 19547 235 1 . 1 1 52 52 GLN CA C 52 57.428 57.428 55.963 1.466 19547 236 1 . 1 1 52 52 GLN CB C 52 28.280 28.280 27.420 0.860 19547 237 1 . 1 1 52 52 GLN H H 52 7.907 7.907 7.421 0.486 19547 238 1 . 1 1 53 53 ALA N N 53 120.605 120.605 120.896 -0.291 19547 239 1 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.171 0.015 19547 240 1 . 1 1 53 53 ALA CA C 53 53.157 53.157 52.938 0.219 19547 241 1 . 1 1 53 53 ALA CB C 53 18.644 18.644 19.040 -0.396 19547 242 1 . 1 1 53 53 ALA H H 53 7.592 7.592 7.455 0.137 19547 243 1 . 1 1 54 54 GLY N N 54 105.866 105.866 104.635 1.231 19547 244 1 . 1 1 54 54 GLY CA C 54 45.622 45.622 44.978 0.644 19547 245 1 . 1 1 54 54 GLY H H 54 7.720 7.720 7.680 0.040 19547 246 1 . 1 1 55 55 LEU N N 55 120.773 120.773 115.924 4.849 19547 247 1 . 1 1 55 55 LEU HA H 55 4.326 4.326 4.877 -0.551 19547 248 1 . 1 1 55 55 LEU CA C 55 55.105 55.105 54.600 0.505 19547 249 1 . 1 1 55 55 LEU CB C 55 42.247 42.247 42.687 -0.440 19547 250 1 . 1 1 55 55 LEU H H 55 7.697 7.697 7.644 0.053 19547 251 1 . 1 1 56 56 THR N N 56 113.079 113.079 113.139 -0.060 19547 252 1 . 1 1 56 56 THR HA H 56 4.253 4.253 4.179 0.074 19547 253 1 . 1 1 56 56 THR CA C 56 61.320 61.320 63.043 -1.723 19547 254 1 . 1 1 56 56 THR CB C 56 69.885 69.885 68.846 1.039 19547 255 1 . 1 1 56 56 THR H H 56 7.743 7.743 8.172 -0.429 19547 256 1 . 1 1 57 57 ALA N N 57 127.233 127.233 123.406 3.827 19547 257 1 . 1 1 57 57 ALA HA H 57 4.503 4.503 4.674 -0.171 19547 258 1 . 1 1 57 57 ALA CA C 57 50.569 50.569 50.309 0.260 19547 259 1 . 1 1 57 57 ALA CB C 57 18.294 18.294 19.668 -1.374 19547 260 1 . 1 1 57 57 ALA H H 57 8.072 8.072 7.660 0.412 19547 261 1 . 1 1 58 58 PRO HA H 58 4.314 4.314 4.348 -0.034 19547 262 1 . 1 1 58 58 PRO CA C 58 63.364 63.364 62.816 0.548 19547 263 1 . 1 1 58 58 PRO CB C 58 31.856 31.856 32.349 -0.493 19547 stop_ save_