data_25434 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25434 _Entry.PDB_ID 2MXW 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 25434 _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 5 5 GLU N N 5 123.289 123.289 123.343 -0.054 25434 2 1 1 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.150 0.384 25434 3 1 1 . 1 1 5 5 GLU CA C 5 63.240 63.240 57.059 6.181 25434 4 1 1 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.078 2.147 25434 5 1 1 . 1 1 5 5 GLU H H 5 8.538 8.538 8.664 -0.126 25434 6 1 1 . 1 1 6 6 SER N N 6 115.506 115.506 113.442 2.064 25434 7 1 1 . 1 1 6 6 SER HA H 6 4.552 4.552 4.045 0.507 25434 8 1 1 . 1 1 6 6 SER CA C 6 58.231 58.231 58.557 -0.326 25434 9 1 1 . 1 1 6 6 SER CB C 6 64.028 64.028 62.990 1.038 25434 10 1 1 . 1 1 6 6 SER H H 6 8.435 8.435 7.973 0.462 25434 11 1 1 . 1 1 7 7 TYR N N 7 121.104 121.104 120.102 1.002 25434 12 1 1 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.826 -0.084 25434 13 1 1 . 1 1 7 7 TYR CA C 7 57.611 57.611 56.387 1.224 25434 14 1 1 . 1 1 7 7 TYR CB C 7 39.176 39.176 39.672 -0.496 25434 15 1 1 . 1 1 7 7 TYR H H 7 8.137 8.137 7.244 0.893 25434 16 1 1 . 1 1 8 8 SER N N 8 116.875 116.875 116.383 0.492 25434 17 1 1 . 1 1 8 8 SER HA H 8 4.539 4.539 4.302 0.237 25434 18 1 1 . 1 1 8 8 SER CA C 8 58.327 58.327 58.875 -0.548 25434 19 1 1 . 1 1 8 8 SER CB C 8 63.958 63.958 63.050 0.908 25434 20 1 1 . 1 1 8 8 SER H H 8 8.364 8.364 8.871 -0.507 25434 21 1 1 . 1 1 9 9 GLN N N 9 120.999 120.999 117.869 3.130 25434 22 1 1 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.805 -0.362 25434 23 1 1 . 1 1 9 9 GLN CA C 9 56.678 56.678 54.795 1.883 25434 24 1 1 . 1 1 9 9 GLN CB C 9 30.372 30.372 30.482 -0.110 25434 25 1 1 . 1 1 9 9 GLN H H 9 8.414 8.414 7.753 0.661 25434 26 1 1 . 1 1 10 10 TYR N N 10 121.815 121.815 120.122 1.693 25434 27 1 1 . 1 1 10 10 TYR HA H 10 4.974 4.974 5.082 -0.108 25434 28 1 1 . 1 1 10 10 TYR CA C 10 56.383 56.383 56.378 0.005 25434 29 1 1 . 1 1 10 10 TYR CB C 10 40.009 40.009 39.176 0.833 25434 30 1 1 . 1 1 10 10 TYR H H 10 8.549 8.549 8.928 -0.379 25434 31 1 1 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.447 0.169 25434 32 1 1 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.851 -0.852 25434 33 1 1 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.697 -0.494 25434 34 1 1 . 1 1 12 12 VAL N N 12 120.450 120.450 118.976 1.474 25434 35 1 1 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.505 -0.705 25434 36 1 1 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.146 0.311 25434 37 1 1 . 1 1 12 12 VAL CB C 12 32.251 32.251 32.447 -0.196 25434 38 1 1 . 1 1 12 12 VAL H H 12 8.074 8.074 8.347 -0.273 25434 39 1 1 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.459 -0.441 25434 40 1 1 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.702 0.478 25434 41 1 1 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.531 0.101 25434 42 1 1 . 1 1 14 14 ASP N N 14 120.579 120.579 118.117 2.462 25434 43 1 1 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.542 0.169 25434 44 1 1 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.588 -0.514 25434 45 1 1 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.602 -2.552 25434 46 1 1 . 1 1 14 14 ASP H H 14 8.148 8.148 8.087 0.061 25434 47 1 1 . 1 1 15 15 VAL N N 15 120.884 120.884 126.490 -5.606 25434 48 1 1 . 1 1 15 15 VAL HA H 15 2.170 2.170 2.046 0.124 25434 49 1 1 . 1 1 15 15 VAL CA C 15 62.769 62.769 64.039 -1.270 25434 50 1 1 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.251 -0.354 25434 51 1 1 . 1 1 15 15 VAL H H 15 8.161 8.161 8.131 0.030 25434 52 1 1 . 1 1 16 16 SER N N 16 116.885 116.885 115.141 1.744 25434 53 1 1 . 1 1 16 16 SER HA H 16 4.294 4.294 4.288 0.006 25434 54 1 1 . 1 1 16 16 SER CA C 16 61.011 61.011 60.129 0.882 25434 55 1 1 . 1 1 16 16 SER CB C 16 63.004 63.004 62.493 0.511 25434 56 1 1 . 1 1 16 16 SER H H 16 8.139 8.139 8.463 -0.324 25434 57 1 1 . 1 1 17 17 THR N N 17 110.397 110.397 110.692 -0.295 25434 58 1 1 . 1 1 17 17 THR HA H 17 4.558 4.558 4.485 0.073 25434 59 1 1 . 1 1 17 17 THR CA C 17 61.987 61.987 61.500 0.487 25434 60 1 1 . 1 1 17 17 THR CB C 17 70.459 70.459 69.862 0.597 25434 61 1 1 . 1 1 17 17 THR H H 17 7.549 7.549 7.376 0.173 25434 62 1 1 . 1 1 18 18 TYR N N 18 120.956 120.956 122.312 -1.356 25434 63 1 1 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.687 0.481 25434 64 1 1 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.240 -1.417 25434 65 1 1 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.825 -2.085 25434 66 1 1 . 1 1 18 18 TYR H H 18 7.365 7.365 7.854 -0.489 25434 67 1 1 . 1 1 19 19 GLN N N 19 119.670 119.670 119.151 0.519 25434 68 1 1 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.796 0.256 25434 69 1 1 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.406 -0.020 25434 70 1 1 . 1 1 19 19 GLN CB C 19 31.447 31.447 31.506 -0.059 25434 71 1 1 . 1 1 19 19 GLN H H 19 9.372 9.372 8.813 0.559 25434 72 1 1 . 1 1 20 20 TYR N N 20 126.395 126.395 128.202 -1.807 25434 73 1 1 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.332 -0.230 25434 74 1 1 . 1 1 20 20 TYR CA C 20 59.374 59.374 58.961 0.413 25434 75 1 1 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.868 0.158 25434 76 1 1 . 1 1 20 20 TYR H H 20 9.433 9.433 9.048 0.385 25434 77 1 1 . 1 1 21 21 ASP N N 21 128.962 128.962 129.472 -0.510 25434 78 1 1 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.825 0.055 25434 79 1 1 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.089 -0.756 25434 80 1 1 . 1 1 21 21 ASP CB C 21 42.332 42.332 40.975 1.357 25434 81 1 1 . 1 1 21 21 ASP H H 21 8.128 8.128 8.180 -0.052 25434 82 1 1 . 1 1 22 22 GLU N N 22 124.636 124.636 121.470 3.166 25434 83 1 1 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.706 0.092 25434 84 1 1 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.445 0.188 25434 85 1 1 . 1 1 22 22 GLU CB C 22 29.712 29.712 28.851 0.861 25434 86 1 1 . 1 1 22 22 GLU H H 22 8.768 8.768 8.436 0.332 25434 87 1 1 . 1 1 23 23 THR N N 23 112.402 112.402 113.095 -0.693 25434 88 1 1 . 1 1 23 23 THR HA H 23 4.045 4.045 4.107 -0.062 25434 89 1 1 . 1 1 23 23 THR CA C 23 65.526 65.526 64.327 1.199 25434 90 1 1 . 1 1 23 23 THR CB C 23 68.434 68.434 69.057 -0.623 25434 91 1 1 . 1 1 23 23 THR H H 23 8.031 8.031 8.118 -0.087 25434 92 1 1 . 1 1 24 24 SER N N 24 113.712 113.712 112.785 0.927 25434 93 1 1 . 1 1 24 24 SER HA H 24 4.327 4.327 4.570 -0.243 25434 94 1 1 . 1 1 24 24 SER CA C 24 59.046 59.046 58.364 0.682 25434 95 1 1 . 1 1 24 24 SER CB C 24 65.024 65.024 65.622 -0.598 25434 96 1 1 . 1 1 24 24 SER H H 24 7.503 7.503 8.132 -0.629 25434 97 1 1 . 1 1 25 25 GLY N N 25 111.227 111.227 109.608 1.619 25434 98 1 1 . 1 1 25 25 GLY CA C 25 45.627 45.627 44.903 0.724 25434 99 1 1 . 1 1 25 25 GLY H H 25 8.304 8.304 7.798 0.506 25434 100 1 1 . 1 1 26 26 TYR N N 26 117.907 117.907 118.580 -0.673 25434 101 1 1 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.765 0.622 25434 102 1 1 . 1 1 26 26 TYR CA C 26 55.006 55.006 58.236 -3.230 25434 103 1 1 . 1 1 26 26 TYR CB C 26 40.743 40.743 40.137 0.606 25434 104 1 1 . 1 1 26 26 TYR H H 26 7.951 7.951 7.151 0.800 25434 105 1 1 . 1 1 27 27 TYR N N 27 116.474 116.474 116.740 -0.266 25434 106 1 1 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.210 0.148 25434 107 1 1 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.447 0.797 25434 108 1 1 . 1 1 27 27 TYR CB C 27 41.412 41.412 41.013 0.399 25434 109 1 1 . 1 1 27 27 TYR H H 27 9.253 9.253 9.430 -0.177 25434 110 1 1 . 1 1 28 28 TYR N N 28 122.756 122.756 122.454 0.302 25434 111 1 1 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.475 0.303 25434 112 1 1 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.716 1.267 25434 113 1 1 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.963 0.032 25434 114 1 1 . 1 1 28 28 TYR H H 28 9.686 9.686 9.380 0.306 25434 115 1 1 . 1 1 29 29 ASP N N 29 125.994 125.994 125.906 0.088 25434 116 1 1 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.348 0.404 25434 117 1 1 . 1 1 29 29 ASP CA C 29 49.202 49.202 50.426 -1.224 25434 118 1 1 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.609 1.556 25434 119 1 1 . 1 1 29 29 ASP H H 29 7.954 7.954 8.124 -0.170 25434 120 1 1 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.695 0.375 25434 121 1 1 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.806 -1.198 25434 122 1 1 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.619 0.973 25434 123 1 1 . 1 1 31 31 GLN N N 31 115.244 115.244 116.976 -1.732 25434 124 1 1 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.096 0.136 25434 125 1 1 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.919 0.598 25434 126 1 1 . 1 1 31 31 GLN CB C 31 29.305 29.305 28.893 0.412 25434 127 1 1 . 1 1 31 31 GLN H H 31 7.989 7.989 8.004 -0.015 25434 128 1 1 . 1 1 32 32 THR N N 32 104.641 104.641 109.460 -4.819 25434 129 1 1 . 1 1 32 32 THR HA H 32 4.332 4.332 4.430 -0.098 25434 130 1 1 . 1 1 32 32 THR CA C 32 61.768 61.768 62.459 -0.690 25434 131 1 1 . 1 1 32 32 THR CB C 32 71.212 71.212 71.812 -0.600 25434 132 1 1 . 1 1 32 32 THR H H 32 6.765 6.765 7.705 -0.940 25434 133 1 1 . 1 1 33 33 GLY N N 33 111.318 111.318 110.780 0.538 25434 134 1 1 . 1 1 33 33 GLY CA C 33 45.527 45.527 44.874 0.653 25434 135 1 1 . 1 1 33 33 GLY H H 33 8.439 8.439 8.134 0.305 25434 136 1 1 . 1 1 34 34 LEU N N 34 118.537 118.537 120.367 -1.830 25434 137 1 1 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.399 0.202 25434 138 1 1 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.295 -0.274 25434 139 1 1 . 1 1 34 34 LEU CB C 34 44.529 44.529 41.842 2.687 25434 140 1 1 . 1 1 34 34 LEU H H 34 7.422 7.422 7.577 -0.155 25434 141 1 1 . 1 1 35 35 TYR N N 35 116.166 116.166 116.785 -0.619 25434 142 1 1 . 1 1 35 35 TYR HA H 35 5.522 5.522 4.992 0.530 25434 143 1 1 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.100 0.146 25434 144 1 1 . 1 1 35 35 TYR CB C 35 40.876 40.876 41.256 -0.380 25434 145 1 1 . 1 1 35 35 TYR H H 35 8.692 8.692 8.505 0.187 25434 146 1 1 . 1 1 36 36 TYR N N 36 121.442 121.442 123.788 -2.346 25434 147 1 1 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.488 0.468 25434 148 1 1 . 1 1 36 36 TYR CA C 36 56.977 56.977 58.026 -1.048 25434 149 1 1 . 1 1 36 36 TYR CB C 36 42.714 42.714 41.646 1.068 25434 150 1 1 . 1 1 36 36 TYR H H 36 9.745 9.745 8.635 1.110 25434 151 1 1 . 1 1 37 37 ASP N N 37 127.129 127.129 123.477 3.652 25434 152 1 1 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.169 0.072 25434 153 1 1 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.773 -0.491 25434 154 1 1 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.590 -1.730 25434 155 1 1 . 1 1 37 37 ASP H H 37 8.029 8.029 7.490 0.539 25434 156 1 1 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.335 -0.256 25434 157 1 1 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.494 -0.765 25434 158 1 1 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.573 -0.085 25434 159 1 1 . 1 1 39 39 ASN N N 39 115.838 115.838 114.954 0.884 25434 160 1 1 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.764 -0.086 25434 161 1 1 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.103 1.616 25434 162 1 1 . 1 1 39 39 ASN CB C 39 38.987 38.987 40.531 -1.544 25434 163 1 1 . 1 1 39 39 ASN H H 39 8.232 8.232 8.854 -0.622 25434 164 1 1 . 1 1 40 40 SER N N 40 112.476 112.476 116.765 -4.289 25434 165 1 1 . 1 1 40 40 SER HA H 40 4.346 4.346 4.627 -0.281 25434 166 1 1 . 1 1 40 40 SER CA C 40 58.832 58.832 57.416 1.416 25434 167 1 1 . 1 1 40 40 SER CB C 40 64.576 64.576 63.930 0.646 25434 168 1 1 . 1 1 40 40 SER H H 40 7.371 7.371 8.132 -0.761 25434 169 1 1 . 1 1 41 41 GLN N N 41 114.329 114.329 122.405 -8.076 25434 170 1 1 . 1 1 41 41 GLN HA H 41 3.780 3.780 4.120 -0.340 25434 171 1 1 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.589 1.573 25434 172 1 1 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.698 -2.721 25434 173 1 1 . 1 1 41 41 GLN H H 41 8.203 8.203 8.615 -0.412 25434 174 1 1 . 1 1 42 42 TYR N N 42 115.202 115.202 117.564 -2.362 25434 175 1 1 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.953 0.568 25434 176 1 1 . 1 1 42 42 TYR CA C 42 56.636 56.636 56.557 0.079 25434 177 1 1 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.464 2.917 25434 178 1 1 . 1 1 42 42 TYR H H 42 7.621 7.621 7.482 0.139 25434 179 1 1 . 1 1 43 43 TYR N N 43 118.608 118.608 124.658 -6.050 25434 180 1 1 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.724 0.971 25434 181 1 1 . 1 1 43 43 TYR CA C 43 57.321 57.321 58.804 -1.483 25434 182 1 1 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.552 2.306 25434 183 1 1 . 1 1 43 43 TYR H H 43 9.724 9.724 9.028 0.696 25434 184 1 1 . 1 1 44 44 TYR N N 44 121.727 121.727 123.240 -1.513 25434 185 1 1 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.795 0.387 25434 186 1 1 . 1 1 44 44 TYR CA C 44 56.548 56.548 55.133 1.415 25434 187 1 1 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.554 2.709 25434 188 1 1 . 1 1 44 44 TYR H H 44 9.594 9.594 9.401 0.193 25434 189 1 1 . 1 1 45 45 ASN N N 45 125.423 125.423 127.375 -1.952 25434 190 1 1 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.573 0.432 25434 191 1 1 . 1 1 45 45 ASN CA C 45 50.920 50.920 51.334 -0.414 25434 192 1 1 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.406 0.865 25434 193 1 1 . 1 1 45 45 ASN H H 45 8.244 8.244 8.834 -0.590 25434 194 1 1 . 1 1 46 46 ALA N N 46 126.039 126.039 128.749 -2.710 25434 195 1 1 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.362 0.415 25434 196 1 1 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.273 -0.500 25434 197 1 1 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.258 0.897 25434 198 1 1 . 1 1 46 46 ALA H H 46 8.974 8.974 7.826 1.148 25434 199 1 1 . 1 1 47 47 GLN N N 47 116.850 116.850 117.963 -1.113 25434 200 1 1 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.059 0.235 25434 201 1 1 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.427 0.201 25434 202 1 1 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.941 -0.418 25434 203 1 1 . 1 1 47 47 GLN H H 47 8.349 8.349 8.461 -0.112 25434 204 1 1 . 1 1 48 48 SER N N 48 111.872 111.872 112.079 -0.207 25434 205 1 1 . 1 1 48 48 SER HA H 48 4.474 4.474 4.575 -0.101 25434 206 1 1 . 1 1 48 48 SER CA C 48 57.580 57.580 58.362 -0.782 25434 207 1 1 . 1 1 48 48 SER CB C 48 64.262 64.262 64.259 0.003 25434 208 1 1 . 1 1 48 48 SER H H 48 7.544 7.544 7.841 -0.297 25434 209 1 1 . 1 1 49 49 GLN N N 49 118.063 118.063 116.724 1.339 25434 210 1 1 . 1 1 49 49 GLN HA H 49 3.721 3.721 4.244 -0.523 25434 211 1 1 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.005 0.170 25434 212 1 1 . 1 1 49 49 GLN CB C 49 25.933 25.933 25.929 0.004 25434 213 1 1 . 1 1 49 49 GLN H H 49 7.969 7.969 7.896 0.073 25434 214 1 1 . 1 1 50 50 GLN N N 50 116.254 116.254 118.626 -2.372 25434 215 1 1 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.816 0.003 25434 216 1 1 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.898 -0.397 25434 217 1 1 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.711 1.699 25434 218 1 1 . 1 1 50 50 GLN H H 50 7.180 7.180 7.914 -0.734 25434 219 1 1 . 1 1 51 51 TYR N N 51 121.463 121.463 121.092 0.371 25434 220 1 1 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.654 0.026 25434 221 1 1 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.974 1.196 25434 222 1 1 . 1 1 51 51 TYR CB C 51 40.066 40.066 39.675 0.391 25434 223 1 1 . 1 1 51 51 TYR H H 51 8.931 8.931 9.002 -0.071 25434 224 1 1 . 1 1 52 52 LEU N N 52 122.429 122.429 123.119 -0.690 25434 225 1 1 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.542 0.006 25434 226 1 1 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.270 1.163 25434 227 1 1 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.386 1.663 25434 228 1 1 . 1 1 52 52 LEU H H 52 9.726 9.726 9.229 0.497 25434 229 1 1 . 1 1 53 53 TYR N N 53 117.639 117.639 114.538 3.101 25434 230 1 1 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.423 0.454 25434 231 1 1 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.973 -0.256 25434 232 1 1 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.723 0.404 25434 233 1 1 . 1 1 53 53 TYR H H 53 9.533 9.533 9.087 0.446 25434 234 1 1 . 1 1 54 54 TRP N N 54 122.206 122.206 123.831 -1.625 25434 235 1 1 . 1 1 54 54 TRP HA H 54 4.506 4.506 3.953 0.553 25434 236 1 1 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.538 0.275 25434 237 1 1 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.168 0.180 25434 238 1 1 . 1 1 54 54 TRP H H 54 9.253 9.253 9.315 -0.062 25434 239 1 1 . 1 1 55 55 ASP N N 55 128.978 128.978 129.223 -0.245 25434 240 1 1 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.608 0.087 25434 241 1 1 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.429 -0.546 25434 242 1 1 . 1 1 55 55 ASP CB C 55 42.843 42.843 40.973 1.870 25434 243 1 1 . 1 1 55 55 ASP H H 55 8.031 8.031 7.402 0.629 25434 244 1 1 . 1 1 56 56 GLY N N 56 111.521 111.521 111.241 0.280 25434 245 1 1 . 1 1 56 56 GLY CA C 56 46.775 46.775 45.933 0.842 25434 246 1 1 . 1 1 56 56 GLY H H 56 8.548 8.548 8.080 0.468 25434 247 1 1 . 1 1 57 57 GLU N N 57 120.202 120.202 119.908 0.294 25434 248 1 1 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.142 0.151 25434 249 1 1 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.066 0.252 25434 250 1 1 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.791 0.092 25434 251 1 1 . 1 1 57 57 GLU H H 57 8.188 8.188 8.133 0.055 25434 252 1 1 . 1 1 58 58 ARG N N 58 116.912 116.912 117.133 -0.221 25434 253 1 1 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.385 -0.254 25434 254 1 1 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.167 1.275 25434 255 1 1 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.190 0.697 25434 256 1 1 . 1 1 58 58 ARG H H 58 7.636 7.636 7.422 0.214 25434 257 1 1 . 1 1 59 59 ARG N N 59 116.563 116.563 116.174 0.389 25434 258 1 1 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.250 -0.013 25434 259 1 1 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.974 -0.242 25434 260 1 1 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.692 -1.058 25434 261 1 1 . 1 1 59 59 ARG H H 59 7.878 7.878 7.622 0.256 25434 262 1 1 . 1 1 60 60 THR N N 60 109.170 109.170 110.822 -1.652 25434 263 1 1 . 1 1 60 60 THR HA H 60 4.516 4.516 4.763 -0.247 25434 264 1 1 . 1 1 60 60 THR CA C 60 60.050 60.050 59.984 0.066 25434 265 1 1 . 1 1 60 60 THR CB C 60 69.758 69.758 72.121 -2.363 25434 266 1 1 . 1 1 60 60 THR H H 60 6.591 6.591 6.872 -0.281 25434 267 1 1 . 1 1 61 61 TYR N N 61 120.491 120.491 121.420 -0.929 25434 268 1 1 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.141 -0.066 25434 269 1 1 . 1 1 61 61 TYR CA C 61 57.393 57.393 57.286 0.107 25434 270 1 1 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.700 0.681 25434 271 1 1 . 1 1 61 61 TYR H H 61 7.474 7.474 8.169 -0.695 25434 272 1 1 . 1 1 62 62 VAL N N 62 123.115 123.115 118.327 4.788 25434 273 1 1 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.657 -0.013 25434 274 1 1 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.870 0.740 25434 275 1 1 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.258 1.160 25434 276 1 1 . 1 1 62 62 VAL H H 62 9.176 9.176 8.291 0.885 25434 277 1 1 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.738 0.026 25434 278 1 1 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.731 0.910 25434 279 1 1 . 1 1 63 63 PRO CB C 63 32.558 32.558 32.133 0.425 25434 280 1 1 . 1 1 64 64 ALA N N 64 126.032 126.032 124.487 1.545 25434 281 1 1 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.594 0.051 25434 282 1 1 . 1 1 64 64 ALA CA C 64 52.126 52.126 51.630 0.496 25434 283 1 1 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.990 -0.238 25434 284 1 1 . 1 1 64 64 ALA H H 64 8.708 8.708 8.680 0.028 25434 285 1 1 . 1 1 65 65 LEU N N 65 120.884 120.884 121.120 -0.236 25434 286 1 1 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.234 0.257 25434 287 1 1 . 1 1 65 65 LEU CA C 65 55.656 55.656 54.785 0.871 25434 288 1 1 . 1 1 65 65 LEU CB C 65 42.638 42.638 40.642 1.996 25434 289 1 1 . 1 1 65 65 LEU H H 65 8.469 8.469 7.892 0.577 25434 290 1 1 . 1 1 66 66 GLU N N 66 115.912 115.912 121.700 -5.788 25434 291 1 1 . 1 1 66 66 GLU HA H 66 4.546 4.546 3.947 0.599 25434 292 1 1 . 1 1 66 66 GLU CA C 66 55.780 55.780 57.235 -1.455 25434 293 1 1 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.314 2.713 25434 294 1 1 . 1 1 66 66 GLU H H 66 8.328 8.328 8.396 -0.068 25434 295 1 1 . 1 1 67 67 GLN N N 67 120.380 120.380 119.375 1.005 25434 296 1 1 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.489 -0.007 25434 297 1 1 . 1 1 67 67 GLN CA C 67 55.771 55.771 55.163 0.608 25434 298 1 1 . 1 1 67 67 GLN CB C 67 29.740 29.740 32.219 -2.479 25434 299 1 1 . 1 1 67 67 GLN H H 67 8.478 8.478 8.347 0.131 25434 300 1 1 . 1 1 68 68 SER N N 68 116.287 116.287 114.383 1.904 25434 301 1 1 . 1 1 68 68 SER HA H 68 4.575 4.575 4.178 0.397 25434 302 1 1 . 1 1 68 68 SER CA C 68 58.309 58.309 58.301 0.008 25434 303 1 1 . 1 1 68 68 SER CB C 68 64.119 64.119 62.480 1.639 25434 304 1 1 . 1 1 68 68 SER H H 68 8.370 8.370 8.586 -0.216 25434 305 1 1 . 1 1 69 69 ALA N N 69 125.968 125.968 125.910 0.058 25434 306 1 1 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.129 0.314 25434 307 1 1 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.586 0.396 25434 308 1 1 . 1 1 69 69 ALA CB C 69 19.365 19.365 17.835 1.530 25434 309 1 1 . 1 1 69 69 ALA H H 69 8.533 8.533 8.615 -0.082 25434 310 1 1 . 1 1 70 70 ASP N N 70 118.262 118.262 122.239 -3.977 25434 311 1 1 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.752 -0.070 25434 312 1 1 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.472 -0.003 25434 313 1 1 . 1 1 70 70 ASP CB C 70 41.379 41.379 42.642 -1.262 25434 314 1 1 . 1 1 70 70 ASP H H 70 8.300 8.300 8.523 -0.223 25434 315 1 1 . 1 1 71 71 GLY N N 71 108.495 108.495 108.936 -0.441 25434 316 1 1 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.281 0.541 25434 317 1 1 . 1 1 71 71 GLY H H 71 8.291 8.291 7.756 0.535 25434 318 1 1 . 1 1 72 72 HIS N N 72 118.240 118.240 118.589 -0.349 25434 319 1 1 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.276 0.491 25434 320 1 1 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.013 -1.167 25434 321 1 1 . 1 1 72 72 HIS CB C 72 29.363 29.363 28.416 0.947 25434 322 1 1 . 1 1 72 72 HIS H H 72 8.354 8.354 8.493 -0.139 25434 323 1 1 . 1 1 73 73 LYS N N 73 121.591 121.591 116.413 5.178 25434 324 1 1 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.401 0.042 25434 325 1 1 . 1 1 73 73 LYS CA C 73 56.601 56.601 56.550 0.051 25434 326 1 1 . 1 1 73 73 LYS CB C 73 33.133 33.133 34.021 -0.888 25434 327 1 1 . 1 1 73 73 LYS H H 73 8.457 8.457 8.521 -0.064 25434 328 1 1 . 1 1 74 74 GLU N N 74 122.169 122.169 118.680 3.489 25434 329 1 1 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.607 -0.113 25434 330 1 1 . 1 1 74 74 GLU CA C 74 56.565 56.565 55.451 1.114 25434 331 1 1 . 1 1 74 74 GLU CB C 74 30.327 30.327 31.701 -1.373 25434 332 1 1 . 1 1 74 74 GLU H H 74 8.669 8.669 7.675 0.994 25434 333 1 1 . 1 1 75 75 THR N N 75 114.560 114.560 113.617 0.943 25434 334 1 1 . 1 1 75 75 THR HA H 75 4.463 4.463 4.077 0.386 25434 335 1 1 . 1 1 75 75 THR CA C 75 61.998 61.998 63.889 -1.891 25434 336 1 1 . 1 1 75 75 THR CB C 75 69.901 69.901 68.818 1.083 25434 337 1 1 . 1 1 75 75 THR H H 75 8.313 8.313 8.269 0.044 25434 338 1 1 . 1 1 76 76 GLY N N 76 110.986 110.986 106.795 4.191 25434 339 1 1 . 1 1 76 76 GLY CA C 76 45.394 45.394 43.194 2.200 25434 340 1 1 . 1 1 76 76 GLY H H 76 8.493 8.493 7.607 0.886 25434 341 1 1 . 1 1 77 77 ALA N N 77 123.316 123.316 122.402 0.914 25434 342 1 1 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.896 -0.262 25434 343 1 1 . 1 1 77 77 ALA CA C 77 50.611 50.611 49.071 1.540 25434 344 1 1 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.619 -1.149 25434 345 1 1 . 1 1 77 77 ALA H H 77 8.025 8.025 8.261 -0.236 25434 346 1 1 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.279 0.449 25434 347 1 1 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.775 -0.806 25434 348 1 1 . 1 1 79 79 SER N N 79 116.876 116.876 114.602 2.274 25434 349 1 1 . 1 1 79 79 SER HA H 79 4.543 4.543 4.436 0.107 25434 350 1 1 . 1 1 79 79 SER CA C 79 58.548 58.548 59.391 -0.843 25434 351 1 1 . 1 1 79 79 SER CB C 79 63.972 63.972 62.095 1.877 25434 352 1 1 . 1 1 79 79 SER H H 79 8.627 8.627 8.492 0.135 25434 353 1 1 . 1 1 80 80 LYS N N 80 122.282 122.282 119.351 2.931 25434 354 1 1 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.360 0.037 25434 355 1 1 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.603 0.025 25434 356 1 1 . 1 1 80 80 LYS CB C 80 33.268 33.268 32.438 0.830 25434 357 1 1 . 1 1 80 80 LYS H H 80 8.359 8.359 8.002 0.357 25434 358 1 1 . 1 1 81 81 GLU N N 81 121.390 121.390 118.678 2.712 25434 359 1 1 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.167 0.220 25434 360 1 1 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.288 -0.515 25434 361 1 1 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.191 0.183 25434 362 1 1 . 1 1 81 81 GLU H H 81 8.521 8.521 7.685 0.836 25434 363 1 1 . 1 1 82 82 GLY N N 82 109.657 109.657 106.576 3.081 25434 364 1 1 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.271 0.462 25434 365 1 1 . 1 1 82 82 GLY H H 82 8.491 8.491 8.062 0.429 25434 366 1 1 . 1 1 83 83 LYS N N 83 120.424 120.424 121.277 -0.853 25434 367 1 1 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.285 0.110 25434 368 1 1 . 1 1 83 83 LYS CA C 83 56.900 56.900 57.242 -0.342 25434 369 1 1 . 1 1 83 83 LYS CB C 83 33.222 33.222 33.404 -0.182 25434 370 1 1 . 1 1 83 83 LYS H H 83 8.237 8.237 8.176 0.061 25434 371 1 1 . 1 1 84 84 GLU N N 84 120.758 120.758 116.170 4.588 25434 372 1 1 . 1 1 84 84 GLU HA H 84 4.378 4.378 3.917 0.461 25434 373 1 1 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.746 -2.011 25434 374 1 1 . 1 1 84 84 GLU CB C 84 30.602 30.602 27.445 3.157 25434 375 1 1 . 1 1 84 84 GLU H H 84 8.571 8.571 8.816 -0.245 25434 376 1 1 . 1 1 85 85 LYS N N 85 122.155 122.155 121.548 0.607 25434 377 1 1 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.459 -0.048 25434 378 1 1 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.081 1.240 25434 379 1 1 . 1 1 85 85 LYS CB C 85 33.193 33.193 33.270 -0.077 25434 380 1 1 . 1 1 85 85 LYS H H 85 8.558 8.558 8.150 0.408 25434 381 1 1 . 1 1 86 86 LYS N N 86 122.185 122.185 119.068 3.117 25434 382 1 1 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.925 0.447 25434 383 1 1 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.551 -0.882 25434 384 1 1 . 1 1 86 86 LYS CB C 86 33.268 33.268 31.509 1.759 25434 385 1 1 . 1 1 86 86 LYS H H 86 8.397 8.397 7.883 0.514 25434 386 1 1 . 1 1 87 87 GLU N N 87 124.443 124.443 120.516 3.927 25434 387 1 1 . 1 1 87 87 GLU HA H 87 4.524 4.524 3.971 0.553 25434 388 1 1 . 1 1 87 87 GLU CA C 87 58.257 58.257 58.328 -0.071 25434 389 1 1 . 1 1 87 87 GLU CB C 87 33.559 33.559 29.702 3.857 25434 390 1 1 . 1 1 87 87 GLU H H 87 8.175 8.175 8.571 -0.396 25434 391 1 1 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.211 0.576 25434 392 1 1 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.661 -0.907 25434 393 1 1 . 1 1 89 89 HIS CB C 89 30.327 30.327 29.023 1.304 25434 394 1 1 . 1 1 90 90 LYS N N 90 122.178 122.178 118.037 4.141 25434 395 1 1 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.058 0.339 25434 396 1 1 . 1 1 90 90 LYS CA C 90 56.597 56.597 57.345 -0.748 25434 397 1 1 . 1 1 90 90 LYS CB C 90 33.222 33.222 32.282 0.940 25434 398 1 1 . 1 1 90 90 LYS H H 90 8.335 8.335 8.277 0.058 25434 399 1 1 . 1 1 91 91 THR N N 91 121.268 121.268 116.105 5.163 25434 400 1 1 . 1 1 91 91 THR HA H 91 4.453 4.453 4.482 -0.029 25434 401 1 1 . 1 1 91 91 THR CA C 91 61.956 61.956 61.711 0.246 25434 402 1 1 . 1 1 91 91 THR CB C 91 69.916 69.916 68.582 1.334 25434 403 1 1 . 1 1 91 91 THR H H 91 8.047 8.047 8.475 -0.428 25434 404 1 2 . 1 1 5 5 GLU N N 5 123.289 123.289 121.574 1.715 25434 405 1 2 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.612 -0.078 25434 406 1 2 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.052 7.188 25434 407 1 2 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.013 2.212 25434 408 1 2 . 1 1 5 5 GLU H H 5 8.538 8.538 8.468 0.070 25434 409 1 2 . 1 1 6 6 SER N N 6 115.506 115.506 113.629 1.877 25434 410 1 2 . 1 1 6 6 SER HA H 6 4.552 4.552 4.109 0.443 25434 411 1 2 . 1 1 6 6 SER CA C 6 58.231 58.231 58.424 -0.193 25434 412 1 2 . 1 1 6 6 SER CB C 6 64.028 64.028 62.764 1.264 25434 413 1 2 . 1 1 6 6 SER H H 6 8.435 8.435 8.331 0.104 25434 414 1 2 . 1 1 7 7 TYR N N 7 121.104 121.104 117.188 3.916 25434 415 1 2 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.299 0.443 25434 416 1 2 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.746 -1.135 25434 417 1 2 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.292 0.884 25434 418 1 2 . 1 1 7 7 TYR H H 7 8.137 8.137 8.022 0.115 25434 419 1 2 . 1 1 8 8 SER N N 8 116.875 116.875 115.347 1.528 25434 420 1 2 . 1 1 8 8 SER HA H 8 4.539 4.539 4.584 -0.045 25434 421 1 2 . 1 1 8 8 SER CA C 8 58.327 58.327 56.750 1.577 25434 422 1 2 . 1 1 8 8 SER CB C 8 63.958 63.958 63.331 0.627 25434 423 1 2 . 1 1 8 8 SER H H 8 8.364 8.364 7.398 0.966 25434 424 1 2 . 1 1 9 9 GLN N N 9 120.999 120.999 127.573 -6.574 25434 425 1 2 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.119 0.324 25434 426 1 2 . 1 1 9 9 GLN CA C 9 56.678 56.678 57.958 -1.280 25434 427 1 2 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.306 1.066 25434 428 1 2 . 1 1 9 9 GLN H H 9 8.414 8.414 8.861 -0.447 25434 429 1 2 . 1 1 10 10 TYR N N 10 121.815 121.815 118.021 3.794 25434 430 1 2 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.939 0.035 25434 431 1 2 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.711 0.672 25434 432 1 2 . 1 1 10 10 TYR CB C 10 40.009 40.009 39.418 0.591 25434 433 1 2 . 1 1 10 10 TYR H H 10 8.549 8.549 8.037 0.512 25434 434 1 2 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.436 0.180 25434 435 1 2 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.435 -0.436 25434 436 1 2 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.795 -0.592 25434 437 1 2 . 1 1 12 12 VAL N N 12 120.450 120.450 118.999 1.451 25434 438 1 2 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.128 -0.328 25434 439 1 2 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.950 0.506 25434 440 1 2 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.327 0.924 25434 441 1 2 . 1 1 12 12 VAL H H 12 8.074 8.074 8.243 -0.169 25434 442 1 2 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.657 -0.639 25434 443 1 2 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.482 0.698 25434 444 1 2 . 1 1 13 13 PRO CB C 13 32.632 32.632 33.072 -0.440 25434 445 1 2 . 1 1 14 14 ASP N N 14 120.579 120.579 118.166 2.413 25434 446 1 2 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.521 0.190 25434 447 1 2 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.485 -0.411 25434 448 1 2 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.703 -2.654 25434 449 1 2 . 1 1 14 14 ASP H H 14 8.148 8.148 8.225 -0.077 25434 450 1 2 . 1 1 15 15 VAL N N 15 120.884 120.884 123.289 -2.405 25434 451 1 2 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.981 0.189 25434 452 1 2 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.347 -0.578 25434 453 1 2 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.306 -0.409 25434 454 1 2 . 1 1 15 15 VAL H H 15 8.161 8.161 8.055 0.106 25434 455 1 2 . 1 1 16 16 SER N N 16 116.885 116.885 116.004 0.881 25434 456 1 2 . 1 1 16 16 SER HA H 16 4.294 4.294 4.044 0.250 25434 457 1 2 . 1 1 16 16 SER CA C 16 61.011 61.011 60.827 0.184 25434 458 1 2 . 1 1 16 16 SER CB C 16 63.004 63.004 62.858 0.146 25434 459 1 2 . 1 1 16 16 SER H H 16 8.139 8.139 7.857 0.282 25434 460 1 2 . 1 1 17 17 THR N N 17 110.397 110.397 114.126 -3.729 25434 461 1 2 . 1 1 17 17 THR HA H 17 4.558 4.558 4.451 0.107 25434 462 1 2 . 1 1 17 17 THR CA C 17 61.987 61.987 61.178 0.809 25434 463 1 2 . 1 1 17 17 THR CB C 17 70.459 70.459 69.520 0.939 25434 464 1 2 . 1 1 17 17 THR H H 17 7.549 7.549 7.194 0.355 25434 465 1 2 . 1 1 18 18 TYR N N 18 120.956 120.956 121.042 -0.086 25434 466 1 2 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.511 0.657 25434 467 1 2 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.060 -2.237 25434 468 1 2 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.088 -1.348 25434 469 1 2 . 1 1 18 18 TYR H H 18 7.365 7.365 7.308 0.057 25434 470 1 2 . 1 1 19 19 GLN N N 19 119.670 119.670 119.582 0.088 25434 471 1 2 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.767 0.285 25434 472 1 2 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.323 0.063 25434 473 1 2 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.772 0.675 25434 474 1 2 . 1 1 19 19 GLN H H 19 9.372 9.372 8.678 0.694 25434 475 1 2 . 1 1 20 20 TYR N N 20 126.395 126.395 128.860 -2.465 25434 476 1 2 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.433 -0.331 25434 477 1 2 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.700 -0.326 25434 478 1 2 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.972 0.054 25434 479 1 2 . 1 1 20 20 TYR H H 20 9.433 9.433 9.215 0.218 25434 480 1 2 . 1 1 21 21 ASP N N 21 128.962 128.962 128.449 0.513 25434 481 1 2 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.821 0.059 25434 482 1 2 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.014 -0.681 25434 483 1 2 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.795 0.536 25434 484 1 2 . 1 1 21 21 ASP H H 21 8.128 8.128 8.117 0.011 25434 485 1 2 . 1 1 22 22 GLU N N 22 124.636 124.636 123.559 1.077 25434 486 1 2 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.841 -0.043 25434 487 1 2 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.557 0.076 25434 488 1 2 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.109 0.603 25434 489 1 2 . 1 1 22 22 GLU H H 22 8.768 8.768 8.802 -0.034 25434 490 1 2 . 1 1 23 23 THR N N 23 112.402 112.402 113.800 -1.398 25434 491 1 2 . 1 1 23 23 THR HA H 23 4.045 4.045 4.018 0.027 25434 492 1 2 . 1 1 23 23 THR CA C 23 65.526 65.526 64.106 1.420 25434 493 1 2 . 1 1 23 23 THR CB C 23 68.434 68.434 69.127 -0.693 25434 494 1 2 . 1 1 23 23 THR H H 23 8.031 8.031 8.046 -0.015 25434 495 1 2 . 1 1 24 24 SER N N 24 113.712 113.712 115.172 -1.460 25434 496 1 2 . 1 1 24 24 SER HA H 24 4.327 4.327 4.538 -0.211 25434 497 1 2 . 1 1 24 24 SER CA C 24 59.046 59.046 58.503 0.543 25434 498 1 2 . 1 1 24 24 SER CB C 24 65.024 65.024 65.741 -0.717 25434 499 1 2 . 1 1 24 24 SER H H 24 7.503 7.503 7.781 -0.278 25434 500 1 2 . 1 1 25 25 GLY N N 25 111.227 111.227 110.041 1.186 25434 501 1 2 . 1 1 25 25 GLY CA C 25 45.627 45.627 44.811 0.816 25434 502 1 2 . 1 1 25 25 GLY H H 25 8.304 8.304 8.094 0.210 25434 503 1 2 . 1 1 26 26 TYR N N 26 117.907 117.907 116.915 0.992 25434 504 1 2 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.728 0.659 25434 505 1 2 . 1 1 26 26 TYR CA C 26 55.006 55.006 56.930 -1.924 25434 506 1 2 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.939 -1.196 25434 507 1 2 . 1 1 26 26 TYR H H 26 7.951 7.951 7.098 0.853 25434 508 1 2 . 1 1 27 27 TYR N N 27 116.474 116.474 117.768 -1.294 25434 509 1 2 . 1 1 27 27 TYR HA H 27 5.358 5.358 4.811 0.547 25434 510 1 2 . 1 1 27 27 TYR CA C 27 58.243 58.243 58.186 0.057 25434 511 1 2 . 1 1 27 27 TYR CB C 27 41.412 41.412 39.893 1.519 25434 512 1 2 . 1 1 27 27 TYR H H 27 9.253 9.253 9.238 0.015 25434 513 1 2 . 1 1 28 28 TYR N N 28 122.756 122.756 124.624 -1.868 25434 514 1 2 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.155 0.623 25434 515 1 2 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.707 1.276 25434 516 1 2 . 1 1 28 28 TYR CB C 28 41.995 41.995 40.729 1.266 25434 517 1 2 . 1 1 28 28 TYR H H 28 9.686 9.686 9.031 0.655 25434 518 1 2 . 1 1 29 29 ASP N N 29 125.994 125.994 126.741 -0.747 25434 519 1 2 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.411 0.341 25434 520 1 2 . 1 1 29 29 ASP CA C 29 49.202 49.202 50.624 -1.422 25434 521 1 2 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.204 1.961 25434 522 1 2 . 1 1 29 29 ASP H H 29 7.954 7.954 8.078 -0.124 25434 523 1 2 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.837 0.233 25434 524 1 2 . 1 1 30 30 PRO CA C 30 63.608 63.608 63.770 -0.162 25434 525 1 2 . 1 1 30 30 PRO CB C 30 32.592 32.592 32.022 0.570 25434 526 1 2 . 1 1 31 31 GLN N N 31 115.244 115.244 118.019 -2.775 25434 527 1 2 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.162 0.070 25434 528 1 2 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.797 0.720 25434 529 1 2 . 1 1 31 31 GLN CB C 31 29.305 29.305 28.964 0.341 25434 530 1 2 . 1 1 31 31 GLN H H 31 7.989 7.989 8.298 -0.309 25434 531 1 2 . 1 1 32 32 THR N N 32 104.641 104.641 106.148 -1.507 25434 532 1 2 . 1 1 32 32 THR HA H 32 4.332 4.332 4.497 -0.165 25434 533 1 2 . 1 1 32 32 THR CA C 32 61.768 61.768 62.018 -0.250 25434 534 1 2 . 1 1 32 32 THR CB C 32 71.212 71.212 71.019 0.193 25434 535 1 2 . 1 1 32 32 THR H H 32 6.765 6.765 7.702 -0.937 25434 536 1 2 . 1 1 33 33 GLY N N 33 111.318 111.318 110.838 0.480 25434 537 1 2 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.398 0.129 25434 538 1 2 . 1 1 33 33 GLY H H 33 8.439 8.439 8.032 0.407 25434 539 1 2 . 1 1 34 34 LEU N N 34 118.537 118.537 117.981 0.556 25434 540 1 2 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.839 -0.238 25434 541 1 2 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.186 -0.165 25434 542 1 2 . 1 1 34 34 LEU CB C 34 44.529 44.529 43.172 1.357 25434 543 1 2 . 1 1 34 34 LEU H H 34 7.422 7.422 7.023 0.399 25434 544 1 2 . 1 1 35 35 TYR N N 35 116.166 116.166 115.176 0.990 25434 545 1 2 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.298 0.224 25434 546 1 2 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.076 0.170 25434 547 1 2 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.297 -1.421 25434 548 1 2 . 1 1 35 35 TYR H H 35 8.692 8.692 8.405 0.287 25434 549 1 2 . 1 1 36 36 TYR N N 36 121.442 121.442 121.358 0.084 25434 550 1 2 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.640 0.316 25434 551 1 2 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.443 0.534 25434 552 1 2 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.388 0.326 25434 553 1 2 . 1 1 36 36 TYR H H 36 9.745 9.745 8.984 0.761 25434 554 1 2 . 1 1 37 37 ASP N N 37 127.129 127.129 122.389 4.740 25434 555 1 2 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.070 0.171 25434 556 1 2 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.662 -0.380 25434 557 1 2 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.483 -1.623 25434 558 1 2 . 1 1 37 37 ASP H H 37 8.029 8.029 7.771 0.258 25434 559 1 2 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.365 -0.286 25434 560 1 2 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.480 -0.751 25434 561 1 2 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.531 -0.043 25434 562 1 2 . 1 1 39 39 ASN N N 39 115.838 115.838 117.116 -1.278 25434 563 1 2 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.675 0.003 25434 564 1 2 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.450 1.269 25434 565 1 2 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.800 -0.813 25434 566 1 2 . 1 1 39 39 ASN H H 39 8.232 8.232 8.719 -0.487 25434 567 1 2 . 1 1 40 40 SER N N 40 112.476 112.476 114.954 -2.478 25434 568 1 2 . 1 1 40 40 SER HA H 40 4.346 4.346 4.586 -0.240 25434 569 1 2 . 1 1 40 40 SER CA C 40 58.832 58.832 57.785 1.047 25434 570 1 2 . 1 1 40 40 SER CB C 40 64.576 64.576 64.419 0.157 25434 571 1 2 . 1 1 40 40 SER H H 40 7.371 7.371 7.996 -0.625 25434 572 1 2 . 1 1 41 41 GLN N N 41 114.329 114.329 124.986 -10.657 25434 573 1 2 . 1 1 41 41 GLN HA H 41 3.780 3.780 4.157 -0.377 25434 574 1 2 . 1 1 41 41 GLN CA C 41 58.162 58.162 55.647 2.515 25434 575 1 2 . 1 1 41 41 GLN CB C 41 25.977 25.977 27.518 -1.541 25434 576 1 2 . 1 1 41 41 GLN H H 41 8.203 8.203 8.606 -0.403 25434 577 1 2 . 1 1 42 42 TYR N N 42 115.202 115.202 120.225 -5.023 25434 578 1 2 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.972 0.549 25434 579 1 2 . 1 1 42 42 TYR CA C 42 56.636 56.636 56.505 0.131 25434 580 1 2 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.772 2.610 25434 581 1 2 . 1 1 42 42 TYR H H 42 7.621 7.621 7.633 -0.012 25434 582 1 2 . 1 1 43 43 TYR N N 43 118.608 118.608 124.411 -5.803 25434 583 1 2 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.722 0.973 25434 584 1 2 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.093 -1.772 25434 585 1 2 . 1 1 43 43 TYR CB C 43 41.858 41.858 38.235 3.623 25434 586 1 2 . 1 1 43 43 TYR H H 43 9.724 9.724 8.817 0.907 25434 587 1 2 . 1 1 44 44 TYR N N 44 121.727 121.727 128.448 -6.721 25434 588 1 2 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.189 0.993 25434 589 1 2 . 1 1 44 44 TYR CA C 44 56.548 56.548 57.945 -1.397 25434 590 1 2 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.177 3.086 25434 591 1 2 . 1 1 44 44 TYR H H 44 9.594 9.594 9.497 0.097 25434 592 1 2 . 1 1 45 45 ASN N N 45 125.423 125.423 126.638 -1.215 25434 593 1 2 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.688 0.317 25434 594 1 2 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.214 0.706 25434 595 1 2 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.180 1.091 25434 596 1 2 . 1 1 45 45 ASN H H 45 8.244 8.244 8.552 -0.308 25434 597 1 2 . 1 1 46 46 ALA N N 46 126.039 126.039 127.104 -1.065 25434 598 1 2 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.367 0.410 25434 599 1 2 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.752 -0.979 25434 600 1 2 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.399 0.756 25434 601 1 2 . 1 1 46 46 ALA H H 46 8.974 8.974 7.945 1.029 25434 602 1 2 . 1 1 47 47 GLN N N 47 116.850 116.850 118.306 -1.456 25434 603 1 2 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.073 0.221 25434 604 1 2 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.197 0.431 25434 605 1 2 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.990 -0.467 25434 606 1 2 . 1 1 47 47 GLN H H 47 8.349 8.349 8.469 -0.120 25434 607 1 2 . 1 1 48 48 SER N N 48 111.872 111.872 111.169 0.703 25434 608 1 2 . 1 1 48 48 SER HA H 48 4.474 4.474 4.676 -0.202 25434 609 1 2 . 1 1 48 48 SER CA C 48 57.580 57.580 57.938 -0.358 25434 610 1 2 . 1 1 48 48 SER CB C 48 64.262 64.262 64.769 -0.507 25434 611 1 2 . 1 1 48 48 SER H H 48 7.544 7.544 7.623 -0.079 25434 612 1 2 . 1 1 49 49 GLN N N 49 118.063 118.063 117.822 0.241 25434 613 1 2 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.778 -0.057 25434 614 1 2 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.304 -0.129 25434 615 1 2 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.900 -0.967 25434 616 1 2 . 1 1 49 49 GLN H H 49 7.969 7.969 7.821 0.148 25434 617 1 2 . 1 1 50 50 GLN N N 50 116.254 116.254 116.718 -0.464 25434 618 1 2 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.640 0.179 25434 619 1 2 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.040 0.461 25434 620 1 2 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.725 1.685 25434 621 1 2 . 1 1 50 50 GLN H H 50 7.180 7.180 7.585 -0.405 25434 622 1 2 . 1 1 51 51 TYR N N 51 121.463 121.463 120.082 1.381 25434 623 1 2 . 1 1 51 51 TYR HA H 51 5.680 5.680 4.861 0.819 25434 624 1 2 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.644 0.526 25434 625 1 2 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.303 -0.237 25434 626 1 2 . 1 1 51 51 TYR H H 51 8.931 8.931 8.664 0.267 25434 627 1 2 . 1 1 52 52 LEU N N 52 122.429 122.429 123.424 -0.995 25434 628 1 2 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.599 -0.051 25434 629 1 2 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.237 1.196 25434 630 1 2 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.123 1.926 25434 631 1 2 . 1 1 52 52 LEU H H 52 9.726 9.726 8.949 0.777 25434 632 1 2 . 1 1 53 53 TYR N N 53 117.639 117.639 113.617 4.022 25434 633 1 2 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.469 0.408 25434 634 1 2 . 1 1 53 53 TYR CA C 53 55.717 55.717 56.006 -0.289 25434 635 1 2 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.338 0.789 25434 636 1 2 . 1 1 53 53 TYR H H 53 9.533 9.533 9.132 0.401 25434 637 1 2 . 1 1 54 54 TRP N N 54 122.206 122.206 123.469 -1.263 25434 638 1 2 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.287 0.219 25434 639 1 2 . 1 1 54 54 TRP CA C 54 56.813 56.813 57.283 -0.471 25434 640 1 2 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.481 -0.133 25434 641 1 2 . 1 1 54 54 TRP H H 54 9.253 9.253 9.248 0.005 25434 642 1 2 . 1 1 55 55 ASP N N 55 128.978 128.978 126.078 2.900 25434 643 1 2 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.654 0.041 25434 644 1 2 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.830 -0.946 25434 645 1 2 . 1 1 55 55 ASP CB C 55 42.843 42.843 42.347 0.496 25434 646 1 2 . 1 1 55 55 ASP H H 55 8.031 8.031 7.548 0.483 25434 647 1 2 . 1 1 56 56 GLY N N 56 111.521 111.521 111.079 0.442 25434 648 1 2 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.087 0.688 25434 649 1 2 . 1 1 56 56 GLY H H 56 8.548 8.548 8.448 0.100 25434 650 1 2 . 1 1 57 57 GLU N N 57 120.202 120.202 118.878 1.324 25434 651 1 2 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.141 0.152 25434 652 1 2 . 1 1 57 57 GLU CA C 57 58.318 58.318 57.803 0.515 25434 653 1 2 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.762 0.121 25434 654 1 2 . 1 1 57 57 GLU H H 57 8.188 8.188 8.390 -0.202 25434 655 1 2 . 1 1 58 58 ARG N N 58 116.912 116.912 116.364 0.548 25434 656 1 2 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.391 -0.260 25434 657 1 2 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.254 1.188 25434 658 1 2 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.423 0.464 25434 659 1 2 . 1 1 58 58 ARG H H 58 7.636 7.636 7.265 0.371 25434 660 1 2 . 1 1 59 59 ARG N N 59 116.563 116.563 117.937 -1.374 25434 661 1 2 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.512 -0.275 25434 662 1 2 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.865 -0.133 25434 663 1 2 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.748 -1.114 25434 664 1 2 . 1 1 59 59 ARG H H 59 7.878 7.878 7.704 0.174 25434 665 1 2 . 1 1 60 60 THR N N 60 109.170 109.170 110.452 -1.282 25434 666 1 2 . 1 1 60 60 THR HA H 60 4.516 4.516 4.689 -0.173 25434 667 1 2 . 1 1 60 60 THR CA C 60 60.050 60.050 59.699 0.351 25434 668 1 2 . 1 1 60 60 THR CB C 60 69.758 69.758 71.393 -1.635 25434 669 1 2 . 1 1 60 60 THR H H 60 6.591 6.591 6.904 -0.313 25434 670 1 2 . 1 1 61 61 TYR N N 61 120.491 120.491 121.869 -1.378 25434 671 1 2 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.023 0.052 25434 672 1 2 . 1 1 61 61 TYR CA C 61 57.393 57.393 57.363 0.030 25434 673 1 2 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.316 1.065 25434 674 1 2 . 1 1 61 61 TYR H H 61 7.474 7.474 8.276 -0.802 25434 675 1 2 . 1 1 62 62 VAL N N 62 123.115 123.115 118.351 4.764 25434 676 1 2 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.636 0.008 25434 677 1 2 . 1 1 62 62 VAL CA C 62 58.610 58.610 58.055 0.555 25434 678 1 2 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.928 0.490 25434 679 1 2 . 1 1 62 62 VAL H H 62 9.176 9.176 8.691 0.485 25434 680 1 2 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.824 -0.060 25434 681 1 2 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.169 1.472 25434 682 1 2 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.881 0.677 25434 683 1 2 . 1 1 64 64 ALA N N 64 126.032 126.032 127.016 -0.984 25434 684 1 2 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.565 0.080 25434 685 1 2 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.247 -0.121 25434 686 1 2 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.055 0.698 25434 687 1 2 . 1 1 64 64 ALA H H 64 8.708 8.708 8.748 -0.040 25434 688 1 2 . 1 1 65 65 LEU N N 65 120.884 120.884 119.855 1.029 25434 689 1 2 . 1 1 65 65 LEU HA H 65 4.491 4.491 3.917 0.574 25434 690 1 2 . 1 1 65 65 LEU CA C 65 55.656 55.656 58.033 -2.377 25434 691 1 2 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.789 0.849 25434 692 1 2 . 1 1 65 65 LEU H H 65 8.469 8.469 8.309 0.160 25434 693 1 2 . 1 1 66 66 GLU N N 66 115.912 115.912 115.606 0.306 25434 694 1 2 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.402 0.144 25434 695 1 2 . 1 1 66 66 GLU CA C 66 55.780 55.780 57.626 -1.846 25434 696 1 2 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.852 3.175 25434 697 1 2 . 1 1 66 66 GLU H H 66 8.328 8.328 8.403 -0.075 25434 698 1 2 . 1 1 67 67 GLN N N 67 120.380 120.380 114.747 5.633 25434 699 1 2 . 1 1 67 67 GLN HA H 67 4.482 4.482 3.982 0.500 25434 700 1 2 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.895 -1.124 25434 701 1 2 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.970 1.770 25434 702 1 2 . 1 1 67 67 GLN H H 67 8.478 8.478 8.750 -0.272 25434 703 1 2 . 1 1 68 68 SER N N 68 116.287 116.287 110.428 5.859 25434 704 1 2 . 1 1 68 68 SER HA H 68 4.575 4.575 4.576 -0.001 25434 705 1 2 . 1 1 68 68 SER CA C 68 58.309 58.309 57.618 0.691 25434 706 1 2 . 1 1 68 68 SER CB C 68 64.119 64.119 65.192 -1.073 25434 707 1 2 . 1 1 68 68 SER H H 68 8.370 8.370 7.665 0.705 25434 708 1 2 . 1 1 69 69 ALA N N 69 125.968 125.968 122.766 3.202 25434 709 1 2 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.491 -0.048 25434 710 1 2 . 1 1 69 69 ALA CA C 69 52.982 52.982 51.850 1.132 25434 711 1 2 . 1 1 69 69 ALA CB C 69 19.365 19.365 19.819 -0.454 25434 712 1 2 . 1 1 69 69 ALA H H 69 8.533 8.533 8.339 0.194 25434 713 1 2 . 1 1 70 70 ASP N N 70 118.262 118.262 120.667 -2.405 25434 714 1 2 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.832 -0.150 25434 715 1 2 . 1 1 70 70 ASP CA C 70 54.469 54.469 53.823 0.646 25434 716 1 2 . 1 1 70 70 ASP CB C 70 41.379 41.379 40.348 1.031 25434 717 1 2 . 1 1 70 70 ASP H H 70 8.300 8.300 8.106 0.194 25434 718 1 2 . 1 1 71 71 GLY N N 71 108.495 108.495 111.125 -2.630 25434 719 1 2 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.471 1.351 25434 720 1 2 . 1 1 71 71 GLY H H 71 8.291 8.291 8.256 0.035 25434 721 1 2 . 1 1 72 72 HIS N N 72 118.240 118.240 119.464 -1.224 25434 722 1 2 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.594 0.173 25434 723 1 2 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.357 -0.511 25434 724 1 2 . 1 1 72 72 HIS CB C 72 29.363 29.363 29.585 -0.222 25434 725 1 2 . 1 1 72 72 HIS H H 72 8.354 8.354 8.557 -0.203 25434 726 1 2 . 1 1 73 73 LYS N N 73 121.591 121.591 123.087 -1.496 25434 727 1 2 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.689 -0.246 25434 728 1 2 . 1 1 73 73 LYS CA C 73 56.601 56.601 54.847 1.754 25434 729 1 2 . 1 1 73 73 LYS CB C 73 33.133 33.133 35.109 -1.976 25434 730 1 2 . 1 1 73 73 LYS H H 73 8.457 8.457 7.796 0.661 25434 731 1 2 . 1 1 74 74 GLU N N 74 122.169 122.169 118.573 3.596 25434 732 1 2 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.432 0.062 25434 733 1 2 . 1 1 74 74 GLU CA C 74 56.565 56.565 58.127 -1.562 25434 734 1 2 . 1 1 74 74 GLU CB C 74 30.327 30.327 31.431 -1.104 25434 735 1 2 . 1 1 74 74 GLU H H 74 8.669 8.669 8.877 -0.207 25434 736 1 2 . 1 1 75 75 THR N N 75 114.560 114.560 110.612 3.948 25434 737 1 2 . 1 1 75 75 THR HA H 75 4.463 4.463 4.657 -0.194 25434 738 1 2 . 1 1 75 75 THR CA C 75 61.998 61.998 61.467 0.531 25434 739 1 2 . 1 1 75 75 THR CB C 75 69.901 69.901 70.546 -0.645 25434 740 1 2 . 1 1 75 75 THR H H 75 8.313 8.313 7.817 0.496 25434 741 1 2 . 1 1 76 76 GLY N N 76 110.986 110.986 109.874 1.112 25434 742 1 2 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.204 0.190 25434 743 1 2 . 1 1 76 76 GLY H H 76 8.493 8.493 7.655 0.838 25434 744 1 2 . 1 1 77 77 ALA N N 77 123.316 123.316 123.586 -0.270 25434 745 1 2 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.868 -0.234 25434 746 1 2 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.403 0.208 25434 747 1 2 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.400 -0.929 25434 748 1 2 . 1 1 77 77 ALA H H 77 8.025 8.025 8.238 -0.213 25434 749 1 2 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.352 0.376 25434 750 1 2 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.667 -0.698 25434 751 1 2 . 1 1 79 79 SER N N 79 116.876 116.876 116.107 0.769 25434 752 1 2 . 1 1 79 79 SER HA H 79 4.543 4.543 4.251 0.292 25434 753 1 2 . 1 1 79 79 SER CA C 79 58.548 58.548 59.497 -0.949 25434 754 1 2 . 1 1 79 79 SER CB C 79 63.972 63.972 62.197 1.775 25434 755 1 2 . 1 1 79 79 SER H H 79 8.627 8.627 8.650 -0.023 25434 756 1 2 . 1 1 80 80 LYS N N 80 122.282 122.282 119.103 3.179 25434 757 1 2 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.483 -0.086 25434 758 1 2 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.513 0.115 25434 759 1 2 . 1 1 80 80 LYS CB C 80 33.268 33.268 34.334 -1.066 25434 760 1 2 . 1 1 80 80 LYS H H 80 8.359 8.359 7.881 0.478 25434 761 1 2 . 1 1 81 81 GLU N N 81 121.390 121.390 119.928 1.462 25434 762 1 2 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.477 -0.090 25434 763 1 2 . 1 1 81 81 GLU CA C 81 56.773 56.773 55.907 0.866 25434 764 1 2 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.143 0.231 25434 765 1 2 . 1 1 81 81 GLU H H 81 8.521 8.521 8.075 0.446 25434 766 1 2 . 1 1 82 82 GLY N N 82 109.657 109.657 112.288 -2.631 25434 767 1 2 . 1 1 82 82 GLY CA C 82 45.733 45.733 46.760 -1.027 25434 768 1 2 . 1 1 82 82 GLY H H 82 8.491 8.491 8.873 -0.382 25434 769 1 2 . 1 1 83 83 LYS N N 83 120.424 120.424 122.442 -2.018 25434 770 1 2 . 1 1 83 83 LYS HA H 83 4.395 4.395 3.942 0.453 25434 771 1 2 . 1 1 83 83 LYS CA C 83 56.900 56.900 59.189 -2.289 25434 772 1 2 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.145 1.077 25434 773 1 2 . 1 1 83 83 LYS H H 83 8.237 8.237 8.230 0.007 25434 774 1 2 . 1 1 84 84 GLU N N 84 120.758 120.758 116.641 4.117 25434 775 1 2 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.087 0.291 25434 776 1 2 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.741 -2.006 25434 777 1 2 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.059 1.543 25434 778 1 2 . 1 1 84 84 GLU H H 84 8.571 8.571 8.513 0.058 25434 779 1 2 . 1 1 85 85 LYS N N 85 122.155 122.155 116.432 5.723 25434 780 1 2 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.431 -0.020 25434 781 1 2 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.454 0.867 25434 782 1 2 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.751 0.442 25434 783 1 2 . 1 1 85 85 LYS H H 85 8.558 8.558 7.752 0.806 25434 784 1 2 . 1 1 86 86 LYS N N 86 122.185 122.185 119.186 2.999 25434 785 1 2 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.280 0.092 25434 786 1 2 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.613 0.056 25434 787 1 2 . 1 1 86 86 LYS CB C 86 33.268 33.268 33.793 -0.525 25434 788 1 2 . 1 1 86 86 LYS H H 86 8.397 8.397 7.373 1.024 25434 789 1 2 . 1 1 87 87 GLU N N 87 124.443 124.443 119.081 5.362 25434 790 1 2 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.005 0.519 25434 791 1 2 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.303 0.954 25434 792 1 2 . 1 1 87 87 GLU CB C 87 33.559 33.559 28.549 5.010 25434 793 1 2 . 1 1 87 87 GLU H H 87 8.175 8.175 8.166 0.009 25434 794 1 2 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.505 0.282 25434 795 1 2 . 1 1 89 89 HIS CA C 89 55.754 55.754 57.504 -1.750 25434 796 1 2 . 1 1 89 89 HIS CB C 89 30.327 30.327 29.622 0.705 25434 797 1 2 . 1 1 90 90 LYS N N 90 122.178 122.178 125.382 -3.204 25434 798 1 2 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.333 0.064 25434 799 1 2 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.479 0.118 25434 800 1 2 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.857 -0.635 25434 801 1 2 . 1 1 90 90 LYS H H 90 8.335 8.335 8.631 -0.296 25434 802 1 2 . 1 1 91 91 THR N N 91 121.268 121.268 115.873 5.395 25434 803 1 2 . 1 1 91 91 THR HA H 91 4.453 4.453 3.833 0.620 25434 804 1 2 . 1 1 91 91 THR CA C 91 61.956 61.956 63.664 -1.708 25434 805 1 2 . 1 1 91 91 THR CB C 91 69.916 69.916 67.420 2.496 25434 806 1 2 . 1 1 91 91 THR H H 91 8.047 8.047 8.336 -0.289 25434 807 1 3 . 1 1 5 5 GLU N N 5 123.289 123.289 122.230 1.059 25434 808 1 3 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.211 0.323 25434 809 1 3 . 1 1 5 5 GLU CA C 5 63.240 63.240 57.354 5.886 25434 810 1 3 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.706 2.519 25434 811 1 3 . 1 1 5 5 GLU H H 5 8.538 8.538 8.851 -0.313 25434 812 1 3 . 1 1 6 6 SER N N 6 115.506 115.506 113.817 1.689 25434 813 1 3 . 1 1 6 6 SER HA H 6 4.552 4.552 4.238 0.314 25434 814 1 3 . 1 1 6 6 SER CA C 6 58.231 58.231 58.142 0.089 25434 815 1 3 . 1 1 6 6 SER CB C 6 64.028 64.028 62.756 1.272 25434 816 1 3 . 1 1 6 6 SER H H 6 8.435 8.435 7.979 0.456 25434 817 1 3 . 1 1 7 7 TYR N N 7 121.104 121.104 121.225 -0.121 25434 818 1 3 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.769 -0.027 25434 819 1 3 . 1 1 7 7 TYR CA C 7 57.611 57.611 57.821 -0.210 25434 820 1 3 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.723 0.453 25434 821 1 3 . 1 1 7 7 TYR H H 7 8.137 8.137 7.677 0.460 25434 822 1 3 . 1 1 8 8 SER N N 8 116.875 116.875 116.051 0.824 25434 823 1 3 . 1 1 8 8 SER HA H 8 4.539 4.539 4.020 0.519 25434 824 1 3 . 1 1 8 8 SER CA C 8 58.327 58.327 59.064 -0.737 25434 825 1 3 . 1 1 8 8 SER CB C 8 63.958 63.958 63.059 0.898 25434 826 1 3 . 1 1 8 8 SER H H 8 8.364 8.364 7.875 0.489 25434 827 1 3 . 1 1 9 9 GLN N N 9 120.999 120.999 118.679 2.320 25434 828 1 3 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.624 -0.181 25434 829 1 3 . 1 1 9 9 GLN CA C 9 56.678 56.678 54.639 2.039 25434 830 1 3 . 1 1 9 9 GLN CB C 9 30.372 30.372 30.834 -0.462 25434 831 1 3 . 1 1 9 9 GLN H H 9 8.414 8.414 7.834 0.580 25434 832 1 3 . 1 1 10 10 TYR N N 10 121.815 121.815 121.456 0.359 25434 833 1 3 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.595 0.379 25434 834 1 3 . 1 1 10 10 TYR CA C 10 56.383 56.383 58.880 -2.497 25434 835 1 3 . 1 1 10 10 TYR CB C 10 40.009 40.009 37.821 2.188 25434 836 1 3 . 1 1 10 10 TYR H H 10 8.549 8.549 8.406 0.143 25434 837 1 3 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.460 0.156 25434 838 1 3 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.740 -0.741 25434 839 1 3 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.605 -0.402 25434 840 1 3 . 1 1 12 12 VAL N N 12 120.450 120.450 119.192 1.258 25434 841 1 3 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.219 -0.419 25434 842 1 3 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.040 0.417 25434 843 1 3 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.431 0.820 25434 844 1 3 . 1 1 12 12 VAL H H 12 8.074 8.074 8.295 -0.221 25434 845 1 3 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.558 -0.540 25434 846 1 3 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.533 0.647 25434 847 1 3 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.760 -0.128 25434 848 1 3 . 1 1 14 14 ASP N N 14 120.579 120.579 119.050 1.529 25434 849 1 3 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.619 0.092 25434 850 1 3 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.298 -0.224 25434 851 1 3 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.557 -2.507 25434 852 1 3 . 1 1 14 14 ASP H H 14 8.148 8.148 8.349 -0.201 25434 853 1 3 . 1 1 15 15 VAL N N 15 120.884 120.884 123.165 -2.281 25434 854 1 3 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.427 0.743 25434 855 1 3 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.891 -1.121 25434 856 1 3 . 1 1 15 15 VAL CB C 15 30.897 30.897 30.799 0.098 25434 857 1 3 . 1 1 15 15 VAL H H 15 8.161 8.161 8.295 -0.134 25434 858 1 3 . 1 1 16 16 SER N N 16 116.885 116.885 114.650 2.235 25434 859 1 3 . 1 1 16 16 SER HA H 16 4.294 4.294 3.984 0.310 25434 860 1 3 . 1 1 16 16 SER CA C 16 61.011 61.011 60.788 0.223 25434 861 1 3 . 1 1 16 16 SER CB C 16 63.004 63.004 62.997 0.007 25434 862 1 3 . 1 1 16 16 SER H H 16 8.139 8.139 8.343 -0.204 25434 863 1 3 . 1 1 17 17 THR N N 17 110.397 110.397 112.765 -2.368 25434 864 1 3 . 1 1 17 17 THR HA H 17 4.558 4.558 4.344 0.214 25434 865 1 3 . 1 1 17 17 THR CA C 17 61.987 61.987 61.997 -0.010 25434 866 1 3 . 1 1 17 17 THR CB C 17 70.459 70.459 69.075 1.384 25434 867 1 3 . 1 1 17 17 THR H H 17 7.549 7.549 7.429 0.120 25434 868 1 3 . 1 1 18 18 TYR N N 18 120.956 120.956 122.146 -1.190 25434 869 1 3 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.657 0.511 25434 870 1 3 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.577 -1.754 25434 871 1 3 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.719 -1.979 25434 872 1 3 . 1 1 18 18 TYR H H 18 7.365 7.365 7.743 -0.378 25434 873 1 3 . 1 1 19 19 GLN N N 19 119.670 119.670 120.585 -0.915 25434 874 1 3 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.725 0.327 25434 875 1 3 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.663 -0.278 25434 876 1 3 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.151 1.296 25434 877 1 3 . 1 1 19 19 GLN H H 19 9.372 9.372 8.612 0.760 25434 878 1 3 . 1 1 20 20 TYR N N 20 126.395 126.395 128.500 -2.105 25434 879 1 3 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.458 -0.356 25434 880 1 3 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.296 0.078 25434 881 1 3 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.059 -0.033 25434 882 1 3 . 1 1 20 20 TYR H H 20 9.433 9.433 9.033 0.400 25434 883 1 3 . 1 1 21 21 ASP N N 21 128.962 128.962 126.225 2.737 25434 884 1 3 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.814 0.066 25434 885 1 3 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.247 -0.914 25434 886 1 3 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.521 -0.189 25434 887 1 3 . 1 1 21 21 ASP H H 21 8.128 8.128 7.815 0.313 25434 888 1 3 . 1 1 22 22 GLU N N 22 124.636 124.636 123.091 1.545 25434 889 1 3 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.965 -0.167 25434 890 1 3 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.163 0.470 25434 891 1 3 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.054 0.658 25434 892 1 3 . 1 1 22 22 GLU H H 22 8.768 8.768 8.606 0.162 25434 893 1 3 . 1 1 23 23 THR N N 23 112.402 112.402 111.513 0.889 25434 894 1 3 . 1 1 23 23 THR HA H 23 4.045 4.045 4.122 -0.077 25434 895 1 3 . 1 1 23 23 THR CA C 23 65.526 65.526 63.538 1.988 25434 896 1 3 . 1 1 23 23 THR CB C 23 68.434 68.434 68.923 -0.489 25434 897 1 3 . 1 1 23 23 THR H H 23 8.031 8.031 7.953 0.078 25434 898 1 3 . 1 1 24 24 SER N N 24 113.712 113.712 115.266 -1.554 25434 899 1 3 . 1 1 24 24 SER HA H 24 4.327 4.327 4.471 -0.144 25434 900 1 3 . 1 1 24 24 SER CA C 24 59.046 59.046 58.630 0.416 25434 901 1 3 . 1 1 24 24 SER CB C 24 65.024 65.024 64.889 0.135 25434 902 1 3 . 1 1 24 24 SER H H 24 7.503 7.503 7.318 0.185 25434 903 1 3 . 1 1 25 25 GLY N N 25 111.227 111.227 109.913 1.314 25434 904 1 3 . 1 1 25 25 GLY CA C 25 45.627 45.627 44.722 0.905 25434 905 1 3 . 1 1 25 25 GLY H H 25 8.304 8.304 7.951 0.353 25434 906 1 3 . 1 1 26 26 TYR N N 26 117.907 117.907 116.515 1.392 25434 907 1 3 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.864 0.523 25434 908 1 3 . 1 1 26 26 TYR CA C 26 55.006 55.006 56.632 -1.626 25434 909 1 3 . 1 1 26 26 TYR CB C 26 40.743 40.743 42.143 -1.400 25434 910 1 3 . 1 1 26 26 TYR H H 26 7.951 7.951 7.047 0.904 25434 911 1 3 . 1 1 27 27 TYR N N 27 116.474 116.474 117.606 -1.132 25434 912 1 3 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.127 0.231 25434 913 1 3 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.259 0.984 25434 914 1 3 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.658 0.753 25434 915 1 3 . 1 1 27 27 TYR H H 27 9.253 9.253 9.329 -0.076 25434 916 1 3 . 1 1 28 28 TYR N N 28 122.756 122.756 125.607 -2.851 25434 917 1 3 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.059 0.719 25434 918 1 3 . 1 1 28 28 TYR CA C 28 56.983 56.983 56.575 0.408 25434 919 1 3 . 1 1 28 28 TYR CB C 28 41.995 41.995 40.369 1.626 25434 920 1 3 . 1 1 28 28 TYR H H 28 9.686 9.686 9.330 0.356 25434 921 1 3 . 1 1 29 29 ASP N N 29 125.994 125.994 126.387 -0.393 25434 922 1 3 . 1 1 29 29 ASP HA H 29 4.752 4.752 3.929 0.823 25434 923 1 3 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.585 -0.383 25434 924 1 3 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.062 1.103 25434 925 1 3 . 1 1 29 29 ASP H H 29 7.954 7.954 7.947 0.007 25434 926 1 3 . 1 1 30 30 PRO HA H 30 4.070 4.070 4.071 -0.001 25434 927 1 3 . 1 1 30 30 PRO CA C 30 63.608 63.608 63.951 -0.343 25434 928 1 3 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.760 0.832 25434 929 1 3 . 1 1 31 31 GLN N N 31 115.244 115.244 117.721 -2.477 25434 930 1 3 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.172 0.060 25434 931 1 3 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.780 0.737 25434 932 1 3 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.190 0.115 25434 933 1 3 . 1 1 31 31 GLN H H 31 7.989 7.989 8.431 -0.442 25434 934 1 3 . 1 1 32 32 THR N N 32 104.641 104.641 106.258 -1.617 25434 935 1 3 . 1 1 32 32 THR HA H 32 4.332 4.332 4.458 -0.126 25434 936 1 3 . 1 1 32 32 THR CA C 32 61.768 61.768 62.131 -0.363 25434 937 1 3 . 1 1 32 32 THR CB C 32 71.212 71.212 71.985 -0.773 25434 938 1 3 . 1 1 32 32 THR H H 32 6.765 6.765 8.007 -1.242 25434 939 1 3 . 1 1 33 33 GLY N N 33 111.318 111.318 111.842 -0.524 25434 940 1 3 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.190 0.337 25434 941 1 3 . 1 1 33 33 GLY H H 33 8.439 8.439 8.142 0.297 25434 942 1 3 . 1 1 34 34 LEU N N 34 118.537 118.537 118.538 -0.001 25434 943 1 3 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.794 -0.193 25434 944 1 3 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.301 -0.280 25434 945 1 3 . 1 1 34 34 LEU CB C 34 44.529 44.529 43.316 1.212 25434 946 1 3 . 1 1 34 34 LEU H H 34 7.422 7.422 7.000 0.422 25434 947 1 3 . 1 1 35 35 TYR N N 35 116.166 116.166 115.181 0.985 25434 948 1 3 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.265 0.257 25434 949 1 3 . 1 1 35 35 TYR CA C 35 57.246 57.246 56.986 0.260 25434 950 1 3 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.740 -1.864 25434 951 1 3 . 1 1 35 35 TYR H H 35 8.692 8.692 8.823 -0.131 25434 952 1 3 . 1 1 36 36 TYR N N 36 121.442 121.442 119.147 2.295 25434 953 1 3 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.636 0.320 25434 954 1 3 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.874 0.103 25434 955 1 3 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.481 0.233 25434 956 1 3 . 1 1 36 36 TYR H H 36 9.745 9.745 9.620 0.125 25434 957 1 3 . 1 1 37 37 ASP N N 37 127.129 127.129 121.760 5.369 25434 958 1 3 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.340 -0.099 25434 959 1 3 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.920 -0.638 25434 960 1 3 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.835 -1.976 25434 961 1 3 . 1 1 37 37 ASP H H 37 8.029 8.029 7.474 0.555 25434 962 1 3 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.401 -0.322 25434 963 1 3 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.643 -0.914 25434 964 1 3 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.612 -0.124 25434 965 1 3 . 1 1 39 39 ASN N N 39 115.838 115.838 115.642 0.196 25434 966 1 3 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.692 -0.014 25434 967 1 3 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.580 1.139 25434 968 1 3 . 1 1 39 39 ASN CB C 39 38.987 38.987 40.084 -1.097 25434 969 1 3 . 1 1 39 39 ASN H H 39 8.232 8.232 8.512 -0.280 25434 970 1 3 . 1 1 40 40 SER N N 40 112.476 112.476 115.284 -2.808 25434 971 1 3 . 1 1 40 40 SER HA H 40 4.346 4.346 4.482 -0.136 25434 972 1 3 . 1 1 40 40 SER CA C 40 58.832 58.832 56.533 2.299 25434 973 1 3 . 1 1 40 40 SER CB C 40 64.576 64.576 63.266 1.310 25434 974 1 3 . 1 1 40 40 SER H H 40 7.371 7.371 8.175 -0.804 25434 975 1 3 . 1 1 41 41 GLN N N 41 114.329 114.329 124.725 -10.396 25434 976 1 3 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.848 -0.068 25434 977 1 3 . 1 1 41 41 GLN CA C 41 58.162 58.162 57.065 1.097 25434 978 1 3 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.567 -2.590 25434 979 1 3 . 1 1 41 41 GLN H H 41 8.203 8.203 8.336 -0.133 25434 980 1 3 . 1 1 42 42 TYR N N 42 115.202 115.202 119.197 -3.995 25434 981 1 3 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.825 0.696 25434 982 1 3 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.523 -0.887 25434 983 1 3 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.372 4.009 25434 984 1 3 . 1 1 42 42 TYR H H 42 7.621 7.621 6.969 0.652 25434 985 1 3 . 1 1 43 43 TYR N N 43 118.608 118.608 124.144 -5.536 25434 986 1 3 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.605 1.090 25434 987 1 3 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.707 -2.386 25434 988 1 3 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.350 2.508 25434 989 1 3 . 1 1 43 43 TYR H H 43 9.724 9.724 8.825 0.899 25434 990 1 3 . 1 1 44 44 TYR N N 44 121.727 121.727 122.707 -0.980 25434 991 1 3 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.836 0.346 25434 992 1 3 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.354 0.194 25434 993 1 3 . 1 1 44 44 TYR CB C 44 42.263 42.263 41.102 1.161 25434 994 1 3 . 1 1 44 44 TYR H H 44 9.594 9.594 9.111 0.483 25434 995 1 3 . 1 1 45 45 ASN N N 45 125.423 125.423 126.313 -0.890 25434 996 1 3 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.820 0.185 25434 997 1 3 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.449 0.471 25434 998 1 3 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.605 0.666 25434 999 1 3 . 1 1 45 45 ASN H H 45 8.244 8.244 8.796 -0.552 25434 1000 1 3 . 1 1 46 46 ALA N N 46 126.039 126.039 126.887 -0.848 25434 1001 1 3 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.653 0.124 25434 1002 1 3 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.469 -0.696 25434 1003 1 3 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.534 0.621 25434 1004 1 3 . 1 1 46 46 ALA H H 46 8.974 8.974 8.353 0.621 25434 1005 1 3 . 1 1 47 47 GLN N N 47 116.850 116.850 118.059 -1.209 25434 1006 1 3 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.102 0.192 25434 1007 1 3 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.233 0.396 25434 1008 1 3 . 1 1 47 47 GLN CB C 47 28.523 28.523 29.117 -0.594 25434 1009 1 3 . 1 1 47 47 GLN H H 47 8.349 8.349 8.447 -0.098 25434 1010 1 3 . 1 1 48 48 SER N N 48 111.872 111.872 110.761 1.111 25434 1011 1 3 . 1 1 48 48 SER HA H 48 4.474 4.474 4.619 -0.145 25434 1012 1 3 . 1 1 48 48 SER CA C 48 57.580 57.580 58.086 -0.506 25434 1013 1 3 . 1 1 48 48 SER CB C 48 64.262 64.262 64.984 -0.722 25434 1014 1 3 . 1 1 48 48 SER H H 48 7.544 7.544 7.606 -0.062 25434 1015 1 3 . 1 1 49 49 GLN N N 49 118.063 118.063 116.689 1.374 25434 1016 1 3 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.662 0.059 25434 1017 1 3 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.325 -0.150 25434 1018 1 3 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.817 -0.884 25434 1019 1 3 . 1 1 49 49 GLN H H 49 7.969 7.969 7.819 0.150 25434 1020 1 3 . 1 1 50 50 GLN N N 50 116.254 116.254 117.175 -0.921 25434 1021 1 3 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.575 0.244 25434 1022 1 3 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.780 -0.279 25434 1023 1 3 . 1 1 50 50 GLN CB C 50 33.410 33.410 30.927 2.483 25434 1024 1 3 . 1 1 50 50 GLN H H 50 7.180 7.180 7.294 -0.114 25434 1025 1 3 . 1 1 51 51 TYR N N 51 121.463 121.463 119.800 1.663 25434 1026 1 3 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.547 0.133 25434 1027 1 3 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.129 1.041 25434 1028 1 3 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.112 -0.046 25434 1029 1 3 . 1 1 51 51 TYR H H 51 8.931 8.931 8.673 0.258 25434 1030 1 3 . 1 1 52 52 LEU N N 52 122.429 122.429 120.592 1.837 25434 1031 1 3 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.430 0.118 25434 1032 1 3 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.477 0.956 25434 1033 1 3 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.864 1.185 25434 1034 1 3 . 1 1 52 52 LEU H H 52 9.726 9.726 9.187 0.539 25434 1035 1 3 . 1 1 53 53 TYR N N 53 117.639 117.639 114.024 3.615 25434 1036 1 3 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.466 0.411 25434 1037 1 3 . 1 1 53 53 TYR CA C 53 55.717 55.717 56.066 -0.349 25434 1038 1 3 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.734 0.393 25434 1039 1 3 . 1 1 53 53 TYR H H 53 9.533 9.533 8.986 0.547 25434 1040 1 3 . 1 1 54 54 TRP N N 54 122.206 122.206 124.227 -2.021 25434 1041 1 3 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.597 -0.091 25434 1042 1 3 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.742 0.071 25434 1043 1 3 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.917 -0.569 25434 1044 1 3 . 1 1 54 54 TRP H H 54 9.253 9.253 9.240 0.013 25434 1045 1 3 . 1 1 55 55 ASP N N 55 128.978 128.978 125.281 3.697 25434 1046 1 3 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.639 0.056 25434 1047 1 3 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.819 -0.936 25434 1048 1 3 . 1 1 55 55 ASP CB C 55 42.843 42.843 42.915 -0.072 25434 1049 1 3 . 1 1 55 55 ASP H H 55 8.031 8.031 7.273 0.758 25434 1050 1 3 . 1 1 56 56 GLY N N 56 111.521 111.521 111.502 0.019 25434 1051 1 3 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.048 0.727 25434 1052 1 3 . 1 1 56 56 GLY H H 56 8.548 8.548 8.507 0.041 25434 1053 1 3 . 1 1 57 57 GLU N N 57 120.202 120.202 119.228 0.974 25434 1054 1 3 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.073 0.220 25434 1055 1 3 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.220 0.098 25434 1056 1 3 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.674 0.209 25434 1057 1 3 . 1 1 57 57 GLU H H 57 8.188 8.188 8.253 -0.065 25434 1058 1 3 . 1 1 58 58 ARG N N 58 116.912 116.912 115.352 1.560 25434 1059 1 3 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.444 -0.313 25434 1060 1 3 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.054 1.388 25434 1061 1 3 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.471 0.416 25434 1062 1 3 . 1 1 58 58 ARG H H 58 7.636 7.636 7.649 -0.013 25434 1063 1 3 . 1 1 59 59 ARG N N 59 116.563 116.563 116.984 -0.421 25434 1064 1 3 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.285 -0.048 25434 1065 1 3 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.721 0.011 25434 1066 1 3 . 1 1 59 59 ARG CB C 59 26.634 26.634 26.987 -0.353 25434 1067 1 3 . 1 1 59 59 ARG H H 59 7.878 7.878 7.718 0.160 25434 1068 1 3 . 1 1 60 60 THR N N 60 109.170 109.170 109.941 -0.771 25434 1069 1 3 . 1 1 60 60 THR HA H 60 4.516 4.516 4.519 -0.003 25434 1070 1 3 . 1 1 60 60 THR CA C 60 60.050 60.050 59.857 0.193 25434 1071 1 3 . 1 1 60 60 THR CB C 60 69.758 69.758 72.229 -2.471 25434 1072 1 3 . 1 1 60 60 THR H H 60 6.591 6.591 6.839 -0.248 25434 1073 1 3 . 1 1 61 61 TYR N N 61 120.491 120.491 121.790 -1.299 25434 1074 1 3 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.265 -0.190 25434 1075 1 3 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.263 1.130 25434 1076 1 3 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.390 0.991 25434 1077 1 3 . 1 1 61 61 TYR H H 61 7.474 7.474 8.418 -0.944 25434 1078 1 3 . 1 1 62 62 VAL N N 62 123.115 123.115 119.558 3.557 25434 1079 1 3 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.655 -0.011 25434 1080 1 3 . 1 1 62 62 VAL CA C 62 58.610 58.610 58.005 0.605 25434 1081 1 3 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.045 0.373 25434 1082 1 3 . 1 1 62 62 VAL H H 62 9.176 9.176 8.484 0.692 25434 1083 1 3 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.820 -0.056 25434 1084 1 3 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.242 1.399 25434 1085 1 3 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.618 0.940 25434 1086 1 3 . 1 1 64 64 ALA N N 64 126.032 126.032 127.072 -1.040 25434 1087 1 3 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.414 0.231 25434 1088 1 3 . 1 1 64 64 ALA CA C 64 52.126 52.126 53.203 -1.077 25434 1089 1 3 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.563 1.189 25434 1090 1 3 . 1 1 64 64 ALA H H 64 8.708 8.708 8.246 0.462 25434 1091 1 3 . 1 1 65 65 LEU N N 65 120.884 120.884 118.753 2.131 25434 1092 1 3 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.012 0.479 25434 1093 1 3 . 1 1 65 65 LEU CA C 65 55.656 55.656 57.590 -1.934 25434 1094 1 3 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.903 0.735 25434 1095 1 3 . 1 1 65 65 LEU H H 65 8.469 8.469 7.927 0.542 25434 1096 1 3 . 1 1 66 66 GLU N N 66 115.912 115.912 121.007 -5.095 25434 1097 1 3 . 1 1 66 66 GLU HA H 66 4.546 4.546 3.959 0.587 25434 1098 1 3 . 1 1 66 66 GLU CA C 66 55.780 55.780 59.232 -3.452 25434 1099 1 3 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.112 3.915 25434 1100 1 3 . 1 1 66 66 GLU H H 66 8.328 8.328 8.211 0.117 25434 1101 1 3 . 1 1 67 67 GLN N N 67 120.380 120.380 117.706 2.674 25434 1102 1 3 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.324 0.158 25434 1103 1 3 . 1 1 67 67 GLN CA C 67 55.771 55.771 57.030 -1.259 25434 1104 1 3 . 1 1 67 67 GLN CB C 67 29.740 29.740 28.162 1.579 25434 1105 1 3 . 1 1 67 67 GLN H H 67 8.478 8.478 8.405 0.073 25434 1106 1 3 . 1 1 68 68 SER N N 68 116.287 116.287 116.226 0.061 25434 1107 1 3 . 1 1 68 68 SER HA H 68 4.575 4.575 4.325 0.250 25434 1108 1 3 . 1 1 68 68 SER CA C 68 58.309 58.309 57.876 0.433 25434 1109 1 3 . 1 1 68 68 SER CB C 68 64.119 64.119 63.393 0.726 25434 1110 1 3 . 1 1 68 68 SER H H 68 8.370 8.370 7.537 0.833 25434 1111 1 3 . 1 1 69 69 ALA N N 69 125.968 125.968 123.489 2.479 25434 1112 1 3 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.016 0.427 25434 1113 1 3 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.752 0.230 25434 1114 1 3 . 1 1 69 69 ALA CB C 69 19.365 19.365 17.173 2.192 25434 1115 1 3 . 1 1 69 69 ALA H H 69 8.533 8.533 7.896 0.637 25434 1116 1 3 . 1 1 70 70 ASP N N 70 118.262 118.262 120.627 -2.365 25434 1117 1 3 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.332 0.350 25434 1118 1 3 . 1 1 70 70 ASP CA C 70 54.469 54.469 56.133 -1.664 25434 1119 1 3 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.472 -0.093 25434 1120 1 3 . 1 1 70 70 ASP H H 70 8.300 8.300 8.669 -0.369 25434 1121 1 3 . 1 1 71 71 GLY N N 71 108.495 108.495 108.132 0.363 25434 1122 1 3 . 1 1 71 71 GLY CA C 71 45.822 45.822 46.047 -0.225 25434 1123 1 3 . 1 1 71 71 GLY H H 71 8.291 8.291 8.632 -0.341 25434 1124 1 3 . 1 1 72 72 HIS N N 72 118.240 118.240 118.289 -0.049 25434 1125 1 3 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.769 -0.002 25434 1126 1 3 . 1 1 72 72 HIS CA C 72 55.846 55.846 55.098 0.748 25434 1127 1 3 . 1 1 72 72 HIS CB C 72 29.363 29.363 30.365 -1.002 25434 1128 1 3 . 1 1 72 72 HIS H H 72 8.354 8.354 8.343 0.011 25434 1129 1 3 . 1 1 73 73 LYS N N 73 121.591 121.591 121.076 0.515 25434 1130 1 3 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.448 -0.005 25434 1131 1 3 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.584 1.017 25434 1132 1 3 . 1 1 73 73 LYS CB C 73 33.133 33.133 34.300 -1.167 25434 1133 1 3 . 1 1 73 73 LYS H H 73 8.457 8.457 7.780 0.677 25434 1134 1 3 . 1 1 74 74 GLU N N 74 122.169 122.169 118.651 3.518 25434 1135 1 3 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.626 -0.132 25434 1136 1 3 . 1 1 74 74 GLU CA C 74 56.565 56.565 55.712 0.853 25434 1137 1 3 . 1 1 74 74 GLU CB C 74 30.327 30.327 31.679 -1.352 25434 1138 1 3 . 1 1 74 74 GLU H H 74 8.669 8.669 8.496 0.173 25434 1139 1 3 . 1 1 75 75 THR N N 75 114.560 114.560 114.573 -0.013 25434 1140 1 3 . 1 1 75 75 THR HA H 75 4.463 4.463 4.108 0.355 25434 1141 1 3 . 1 1 75 75 THR CA C 75 61.998 61.998 63.617 -1.619 25434 1142 1 3 . 1 1 75 75 THR CB C 75 69.901 69.901 68.323 1.578 25434 1143 1 3 . 1 1 75 75 THR H H 75 8.313 8.313 8.639 -0.326 25434 1144 1 3 . 1 1 76 76 GLY N N 76 110.986 110.986 109.396 1.590 25434 1145 1 3 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.395 -0.001 25434 1146 1 3 . 1 1 76 76 GLY H H 76 8.493 8.493 7.577 0.916 25434 1147 1 3 . 1 1 77 77 ALA N N 77 123.316 123.316 121.884 1.432 25434 1148 1 3 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.895 -0.261 25434 1149 1 3 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.038 0.573 25434 1150 1 3 . 1 1 77 77 ALA CB C 77 18.471 18.471 20.454 -1.983 25434 1151 1 3 . 1 1 77 77 ALA H H 77 8.025 8.025 8.192 -0.167 25434 1152 1 3 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.261 0.467 25434 1153 1 3 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.896 0.073 25434 1154 1 3 . 1 1 79 79 SER N N 79 116.876 116.876 119.847 -2.971 25434 1155 1 3 . 1 1 79 79 SER HA H 79 4.543 4.543 4.063 0.480 25434 1156 1 3 . 1 1 79 79 SER CA C 79 58.548 58.548 58.976 -0.428 25434 1157 1 3 . 1 1 79 79 SER CB C 79 63.972 63.972 63.325 0.647 25434 1158 1 3 . 1 1 79 79 SER H H 79 8.627 8.627 8.523 0.104 25434 1159 1 3 . 1 1 80 80 LYS N N 80 122.282 122.282 120.265 2.017 25434 1160 1 3 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.141 0.256 25434 1161 1 3 . 1 1 80 80 LYS CA C 80 56.628 56.628 57.647 -1.019 25434 1162 1 3 . 1 1 80 80 LYS CB C 80 33.268 33.268 31.775 1.493 25434 1163 1 3 . 1 1 80 80 LYS H H 80 8.359 8.359 8.264 0.095 25434 1164 1 3 . 1 1 81 81 GLU N N 81 121.390 121.390 116.561 4.829 25434 1165 1 3 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.431 -0.044 25434 1166 1 3 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.498 0.275 25434 1167 1 3 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.710 -0.336 25434 1168 1 3 . 1 1 81 81 GLU H H 81 8.521 8.521 8.304 0.217 25434 1169 1 3 . 1 1 82 82 GLY N N 82 109.657 109.657 110.251 -0.594 25434 1170 1 3 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.613 0.120 25434 1171 1 3 . 1 1 82 82 GLY H H 82 8.491 8.491 8.231 0.260 25434 1172 1 3 . 1 1 83 83 LYS N N 83 120.424 120.424 120.350 0.074 25434 1173 1 3 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.510 -0.115 25434 1174 1 3 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.953 0.947 25434 1175 1 3 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.429 0.793 25434 1176 1 3 . 1 1 83 83 LYS H H 83 8.237 8.237 8.231 0.006 25434 1177 1 3 . 1 1 84 84 GLU N N 84 120.758 120.758 118.339 2.419 25434 1178 1 3 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.044 0.334 25434 1179 1 3 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.615 -1.880 25434 1180 1 3 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.184 1.418 25434 1181 1 3 . 1 1 84 84 GLU H H 84 8.571 8.571 8.471 0.100 25434 1182 1 3 . 1 1 85 85 LYS N N 85 122.155 122.155 114.725 7.430 25434 1183 1 3 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.487 -0.076 25434 1184 1 3 . 1 1 85 85 LYS CA C 85 56.321 56.321 56.074 0.247 25434 1185 1 3 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.101 1.092 25434 1186 1 3 . 1 1 85 85 LYS H H 85 8.558 8.558 7.793 0.765 25434 1187 1 3 . 1 1 86 86 LYS N N 86 122.185 122.185 120.605 1.580 25434 1188 1 3 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.494 -0.122 25434 1189 1 3 . 1 1 86 86 LYS CA C 86 56.669 56.669 55.801 0.868 25434 1190 1 3 . 1 1 86 86 LYS CB C 86 33.268 33.268 32.895 0.373 25434 1191 1 3 . 1 1 86 86 LYS H H 86 8.397 8.397 8.240 0.157 25434 1192 1 3 . 1 1 87 87 GLU N N 87 124.443 124.443 121.278 3.165 25434 1193 1 3 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.113 0.411 25434 1194 1 3 . 1 1 87 87 GLU CA C 87 58.257 58.257 58.114 0.143 25434 1195 1 3 . 1 1 87 87 GLU CB C 87 33.559 33.559 29.944 3.615 25434 1196 1 3 . 1 1 87 87 GLU H H 87 8.175 8.175 8.528 -0.353 25434 1197 1 3 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.424 0.363 25434 1198 1 3 . 1 1 89 89 HIS CA C 89 55.754 55.754 57.310 -1.556 25434 1199 1 3 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.225 0.102 25434 1200 1 3 . 1 1 90 90 LYS N N 90 122.178 122.178 124.910 -2.732 25434 1201 1 3 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.347 0.050 25434 1202 1 3 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.237 0.360 25434 1203 1 3 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.231 -0.009 25434 1204 1 3 . 1 1 90 90 LYS H H 90 8.335 8.335 7.920 0.415 25434 1205 1 3 . 1 1 91 91 THR N N 91 121.268 121.268 114.159 7.109 25434 1206 1 3 . 1 1 91 91 THR HA H 91 4.453 4.453 4.006 0.447 25434 1207 1 3 . 1 1 91 91 THR CA C 91 61.956 61.956 63.261 -1.305 25434 1208 1 3 . 1 1 91 91 THR CB C 91 69.916 69.916 68.517 1.399 25434 1209 1 3 . 1 1 91 91 THR H H 91 8.047 8.047 7.858 0.189 25434 1210 1 4 . 1 1 5 5 GLU N N 5 123.289 123.289 123.609 -0.320 25434 1211 1 4 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.449 0.085 25434 1212 1 4 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.098 7.142 25434 1213 1 4 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.297 1.928 25434 1214 1 4 . 1 1 5 5 GLU H H 5 8.538 8.538 8.528 0.010 25434 1215 1 4 . 1 1 6 6 SER N N 6 115.506 115.506 117.122 -1.616 25434 1216 1 4 . 1 1 6 6 SER HA H 6 4.552 4.552 4.357 0.195 25434 1217 1 4 . 1 1 6 6 SER CA C 6 58.231 58.231 58.191 0.040 25434 1218 1 4 . 1 1 6 6 SER CB C 6 64.028 64.028 63.168 0.860 25434 1219 1 4 . 1 1 6 6 SER H H 6 8.435 8.435 8.128 0.307 25434 1220 1 4 . 1 1 7 7 TYR N N 7 121.104 121.104 124.286 -3.182 25434 1221 1 4 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.473 0.269 25434 1222 1 4 . 1 1 7 7 TYR CA C 7 57.611 57.611 57.973 -0.362 25434 1223 1 4 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.087 1.089 25434 1224 1 4 . 1 1 7 7 TYR H H 7 8.137 8.137 8.265 -0.128 25434 1225 1 4 . 1 1 8 8 SER N N 8 116.875 116.875 114.891 1.984 25434 1226 1 4 . 1 1 8 8 SER HA H 8 4.539 4.539 4.035 0.504 25434 1227 1 4 . 1 1 8 8 SER CA C 8 58.327 58.327 58.632 -0.305 25434 1228 1 4 . 1 1 8 8 SER CB C 8 63.958 63.958 62.748 1.210 25434 1229 1 4 . 1 1 8 8 SER H H 8 8.364 8.364 7.739 0.625 25434 1230 1 4 . 1 1 9 9 GLN N N 9 120.999 120.999 121.687 -0.688 25434 1231 1 4 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.331 0.112 25434 1232 1 4 . 1 1 9 9 GLN CA C 9 56.678 56.678 58.230 -1.552 25434 1233 1 4 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.729 0.643 25434 1234 1 4 . 1 1 9 9 GLN H H 9 8.414 8.414 8.666 -0.252 25434 1235 1 4 . 1 1 10 10 TYR N N 10 121.815 121.815 117.943 3.872 25434 1236 1 4 . 1 1 10 10 TYR HA H 10 4.974 4.974 5.001 -0.027 25434 1237 1 4 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.680 0.703 25434 1238 1 4 . 1 1 10 10 TYR CB C 10 40.009 40.009 39.720 0.289 25434 1239 1 4 . 1 1 10 10 TYR H H 10 8.549 8.549 7.947 0.602 25434 1240 1 4 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.373 0.243 25434 1241 1 4 . 1 1 11 11 PRO CA C 11 61.999 61.999 63.033 -1.034 25434 1242 1 4 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.627 -0.424 25434 1243 1 4 . 1 1 12 12 VAL N N 12 120.450 120.450 117.833 2.617 25434 1244 1 4 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.196 -0.396 25434 1245 1 4 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.642 0.815 25434 1246 1 4 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.948 0.303 25434 1247 1 4 . 1 1 12 12 VAL H H 12 8.074 8.074 8.146 -0.072 25434 1248 1 4 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.510 -0.492 25434 1249 1 4 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.557 0.623 25434 1250 1 4 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.659 -0.027 25434 1251 1 4 . 1 1 14 14 ASP N N 14 120.579 120.579 119.458 1.121 25434 1252 1 4 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.500 0.211 25434 1253 1 4 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.609 -0.535 25434 1254 1 4 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.593 -2.543 25434 1255 1 4 . 1 1 14 14 ASP H H 14 8.148 8.148 8.212 -0.064 25434 1256 1 4 . 1 1 15 15 VAL N N 15 120.884 120.884 125.628 -4.744 25434 1257 1 4 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.756 0.414 25434 1258 1 4 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.186 -0.417 25434 1259 1 4 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.217 -0.320 25434 1260 1 4 . 1 1 15 15 VAL H H 15 8.161 8.161 8.101 0.060 25434 1261 1 4 . 1 1 16 16 SER N N 16 116.885 116.885 115.270 1.615 25434 1262 1 4 . 1 1 16 16 SER HA H 16 4.294 4.294 4.152 0.142 25434 1263 1 4 . 1 1 16 16 SER CA C 16 61.011 61.011 60.547 0.464 25434 1264 1 4 . 1 1 16 16 SER CB C 16 63.004 63.004 63.000 0.004 25434 1265 1 4 . 1 1 16 16 SER H H 16 8.139 8.139 8.594 -0.455 25434 1266 1 4 . 1 1 17 17 THR N N 17 110.397 110.397 114.593 -4.196 25434 1267 1 4 . 1 1 17 17 THR HA H 17 4.558 4.558 4.486 0.072 25434 1268 1 4 . 1 1 17 17 THR CA C 17 61.987 61.987 61.637 0.350 25434 1269 1 4 . 1 1 17 17 THR CB C 17 70.459 70.459 69.374 1.085 25434 1270 1 4 . 1 1 17 17 THR H H 17 7.549 7.549 7.182 0.367 25434 1271 1 4 . 1 1 18 18 TYR N N 18 120.956 120.956 121.011 -0.055 25434 1272 1 4 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.735 0.433 25434 1273 1 4 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.419 -1.596 25434 1274 1 4 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.309 -1.569 25434 1275 1 4 . 1 1 18 18 TYR H H 18 7.365 7.365 7.825 -0.460 25434 1276 1 4 . 1 1 19 19 GLN N N 19 119.670 119.670 119.973 -0.303 25434 1277 1 4 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.751 0.301 25434 1278 1 4 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.364 0.022 25434 1279 1 4 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.354 1.093 25434 1280 1 4 . 1 1 19 19 GLN H H 19 9.372 9.372 8.876 0.496 25434 1281 1 4 . 1 1 20 20 TYR N N 20 126.395 126.395 128.343 -1.948 25434 1282 1 4 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.354 -0.252 25434 1283 1 4 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.366 0.008 25434 1284 1 4 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.001 0.026 25434 1285 1 4 . 1 1 20 20 TYR H H 20 9.433 9.433 9.050 0.383 25434 1286 1 4 . 1 1 21 21 ASP N N 21 128.962 128.962 127.667 1.295 25434 1287 1 4 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.877 0.003 25434 1288 1 4 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.500 -1.167 25434 1289 1 4 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.606 0.726 25434 1290 1 4 . 1 1 21 21 ASP H H 21 8.128 8.128 8.161 -0.033 25434 1291 1 4 . 1 1 22 22 GLU N N 22 124.636 124.636 122.239 2.397 25434 1292 1 4 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.885 -0.087 25434 1293 1 4 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.659 -0.026 25434 1294 1 4 . 1 1 22 22 GLU CB C 22 29.712 29.712 28.974 0.738 25434 1295 1 4 . 1 1 22 22 GLU H H 22 8.768 8.768 8.809 -0.041 25434 1296 1 4 . 1 1 23 23 THR N N 23 112.402 112.402 112.739 -0.337 25434 1297 1 4 . 1 1 23 23 THR HA H 23 4.045 4.045 4.148 -0.103 25434 1298 1 4 . 1 1 23 23 THR CA C 23 65.526 65.526 64.205 1.321 25434 1299 1 4 . 1 1 23 23 THR CB C 23 68.434 68.434 68.825 -0.391 25434 1300 1 4 . 1 1 23 23 THR H H 23 8.031 8.031 8.159 -0.128 25434 1301 1 4 . 1 1 24 24 SER N N 24 113.712 113.712 113.288 0.424 25434 1302 1 4 . 1 1 24 24 SER HA H 24 4.327 4.327 4.518 -0.191 25434 1303 1 4 . 1 1 24 24 SER CA C 24 59.046 59.046 58.878 0.168 25434 1304 1 4 . 1 1 24 24 SER CB C 24 65.024 65.024 66.622 -1.598 25434 1305 1 4 . 1 1 24 24 SER H H 24 7.503 7.503 7.828 -0.325 25434 1306 1 4 . 1 1 25 25 GLY N N 25 111.227 111.227 110.669 0.558 25434 1307 1 4 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.221 0.406 25434 1308 1 4 . 1 1 25 25 GLY H H 25 8.304 8.304 8.198 0.106 25434 1309 1 4 . 1 1 26 26 TYR N N 26 117.907 117.907 117.468 0.439 25434 1310 1 4 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.952 0.435 25434 1311 1 4 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.001 -1.995 25434 1312 1 4 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.658 -0.915 25434 1313 1 4 . 1 1 26 26 TYR H H 26 7.951 7.951 7.156 0.795 25434 1314 1 4 . 1 1 27 27 TYR N N 27 116.474 116.474 117.073 -0.599 25434 1315 1 4 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.191 0.167 25434 1316 1 4 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.164 1.079 25434 1317 1 4 . 1 1 27 27 TYR CB C 27 41.412 41.412 41.299 0.113 25434 1318 1 4 . 1 1 27 27 TYR H H 27 9.253 9.253 9.586 -0.333 25434 1319 1 4 . 1 1 28 28 TYR N N 28 122.756 122.756 122.013 0.743 25434 1320 1 4 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.539 0.239 25434 1321 1 4 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.583 1.400 25434 1322 1 4 . 1 1 28 28 TYR CB C 28 41.995 41.995 42.194 -0.199 25434 1323 1 4 . 1 1 28 28 TYR H H 28 9.686 9.686 9.193 0.493 25434 1324 1 4 . 1 1 29 29 ASP N N 29 125.994 125.994 125.282 0.712 25434 1325 1 4 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.343 0.409 25434 1326 1 4 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.479 -0.277 25434 1327 1 4 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.250 0.915 25434 1328 1 4 . 1 1 29 29 ASP H H 29 7.954 7.954 8.164 -0.210 25434 1329 1 4 . 1 1 30 30 PRO HA H 30 4.070 4.070 4.075 -0.005 25434 1330 1 4 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.193 -0.585 25434 1331 1 4 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.647 0.945 25434 1332 1 4 . 1 1 31 31 GLN N N 31 115.244 115.244 117.235 -1.991 25434 1333 1 4 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.152 0.080 25434 1334 1 4 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.670 0.846 25434 1335 1 4 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.178 0.127 25434 1336 1 4 . 1 1 31 31 GLN H H 31 7.989 7.989 8.672 -0.683 25434 1337 1 4 . 1 1 32 32 THR N N 32 104.641 104.641 107.276 -2.635 25434 1338 1 4 . 1 1 32 32 THR HA H 32 4.332 4.332 4.441 -0.109 25434 1339 1 4 . 1 1 32 32 THR CA C 32 61.768 61.768 62.431 -0.662 25434 1340 1 4 . 1 1 32 32 THR CB C 32 71.212 71.212 71.862 -0.650 25434 1341 1 4 . 1 1 32 32 THR H H 32 6.765 6.765 7.738 -0.973 25434 1342 1 4 . 1 1 33 33 GLY N N 33 111.318 111.318 112.874 -1.556 25434 1343 1 4 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.296 0.231 25434 1344 1 4 . 1 1 33 33 GLY H H 33 8.439 8.439 8.232 0.207 25434 1345 1 4 . 1 1 34 34 LEU N N 34 118.537 118.537 117.421 1.116 25434 1346 1 4 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.825 -0.224 25434 1347 1 4 . 1 1 34 34 LEU CA C 34 54.021 54.021 53.177 0.844 25434 1348 1 4 . 1 1 34 34 LEU CB C 34 44.529 44.529 44.666 -0.137 25434 1349 1 4 . 1 1 34 34 LEU H H 34 7.422 7.422 6.945 0.477 25434 1350 1 4 . 1 1 35 35 TYR N N 35 116.166 116.166 117.128 -0.962 25434 1351 1 4 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.436 0.086 25434 1352 1 4 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.290 -0.044 25434 1353 1 4 . 1 1 35 35 TYR CB C 35 40.876 40.876 41.856 -0.980 25434 1354 1 4 . 1 1 35 35 TYR H H 35 8.692 8.692 8.979 -0.287 25434 1355 1 4 . 1 1 36 36 TYR N N 36 121.442 121.442 119.940 1.502 25434 1356 1 4 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.797 0.159 25434 1357 1 4 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.005 -0.028 25434 1358 1 4 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.590 0.124 25434 1359 1 4 . 1 1 36 36 TYR H H 36 9.745 9.745 9.666 0.079 25434 1360 1 4 . 1 1 37 37 ASP N N 37 127.129 127.129 123.092 4.037 25434 1361 1 4 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.881 0.360 25434 1362 1 4 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.542 -0.260 25434 1363 1 4 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.294 -1.435 25434 1364 1 4 . 1 1 37 37 ASP H H 37 8.029 8.029 7.790 0.239 25434 1365 1 4 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.502 -0.423 25434 1366 1 4 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.156 -0.427 25434 1367 1 4 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.576 -0.088 25434 1368 1 4 . 1 1 39 39 ASN N N 39 115.838 115.838 117.415 -1.577 25434 1369 1 4 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.683 -0.005 25434 1370 1 4 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.306 1.413 25434 1371 1 4 . 1 1 39 39 ASN CB C 39 38.987 38.987 40.422 -1.435 25434 1372 1 4 . 1 1 39 39 ASN H H 39 8.232 8.232 8.973 -0.741 25434 1373 1 4 . 1 1 40 40 SER N N 40 112.476 112.476 116.197 -3.721 25434 1374 1 4 . 1 1 40 40 SER HA H 40 4.346 4.346 4.722 -0.376 25434 1375 1 4 . 1 1 40 40 SER CA C 40 58.832 58.832 56.547 2.285 25434 1376 1 4 . 1 1 40 40 SER CB C 40 64.576 64.576 63.551 1.024 25434 1377 1 4 . 1 1 40 40 SER H H 40 7.371 7.371 8.221 -0.850 25434 1378 1 4 . 1 1 41 41 GLN N N 41 114.329 114.329 121.389 -7.060 25434 1379 1 4 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.646 0.134 25434 1380 1 4 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.385 1.777 25434 1381 1 4 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.413 -2.436 25434 1382 1 4 . 1 1 41 41 GLN H H 41 8.203 8.203 8.547 -0.344 25434 1383 1 4 . 1 1 42 42 TYR N N 42 115.202 115.202 117.564 -2.362 25434 1384 1 4 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.818 0.703 25434 1385 1 4 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.452 -0.816 25434 1386 1 4 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.070 3.311 25434 1387 1 4 . 1 1 42 42 TYR H H 42 7.621 7.621 7.331 0.290 25434 1388 1 4 . 1 1 43 43 TYR N N 43 118.608 118.608 124.743 -6.135 25434 1389 1 4 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.663 1.032 25434 1390 1 4 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.041 -1.720 25434 1391 1 4 . 1 1 43 43 TYR CB C 43 41.858 41.858 38.991 2.867 25434 1392 1 4 . 1 1 43 43 TYR H H 43 9.724 9.724 8.815 0.909 25434 1393 1 4 . 1 1 44 44 TYR N N 44 121.727 121.727 126.006 -4.279 25434 1394 1 4 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.757 0.425 25434 1395 1 4 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.457 0.091 25434 1396 1 4 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.031 3.232 25434 1397 1 4 . 1 1 44 44 TYR H H 44 9.594 9.594 9.397 0.197 25434 1398 1 4 . 1 1 45 45 ASN N N 45 125.423 125.423 127.682 -2.259 25434 1399 1 4 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.651 0.354 25434 1400 1 4 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.877 0.043 25434 1401 1 4 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.013 1.258 25434 1402 1 4 . 1 1 45 45 ASN H H 45 8.244 8.244 8.701 -0.457 25434 1403 1 4 . 1 1 46 46 ALA N N 46 126.039 126.039 127.333 -1.294 25434 1404 1 4 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.298 0.479 25434 1405 1 4 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.645 -0.872 25434 1406 1 4 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.404 0.751 25434 1407 1 4 . 1 1 46 46 ALA H H 46 8.974 8.974 7.878 1.096 25434 1408 1 4 . 1 1 47 47 GLN N N 47 116.850 116.850 119.195 -2.345 25434 1409 1 4 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.040 0.254 25434 1410 1 4 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.282 0.346 25434 1411 1 4 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.991 -0.468 25434 1412 1 4 . 1 1 47 47 GLN H H 47 8.349 8.349 8.571 -0.222 25434 1413 1 4 . 1 1 48 48 SER N N 48 111.872 111.872 110.849 1.023 25434 1414 1 4 . 1 1 48 48 SER HA H 48 4.474 4.474 4.628 -0.154 25434 1415 1 4 . 1 1 48 48 SER CA C 48 57.580 57.580 57.617 -0.037 25434 1416 1 4 . 1 1 48 48 SER CB C 48 64.262 64.262 64.512 -0.250 25434 1417 1 4 . 1 1 48 48 SER H H 48 7.544 7.544 7.653 -0.109 25434 1418 1 4 . 1 1 49 49 GLN N N 49 118.063 118.063 117.226 0.837 25434 1419 1 4 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.629 0.092 25434 1420 1 4 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.409 -0.234 25434 1421 1 4 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.940 -1.007 25434 1422 1 4 . 1 1 49 49 GLN H H 49 7.969 7.969 7.588 0.381 25434 1423 1 4 . 1 1 50 50 GLN N N 50 116.254 116.254 116.996 -0.742 25434 1424 1 4 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.579 0.240 25434 1425 1 4 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.835 -0.334 25434 1426 1 4 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.105 2.305 25434 1427 1 4 . 1 1 50 50 GLN H H 50 7.180 7.180 7.354 -0.174 25434 1428 1 4 . 1 1 51 51 TYR N N 51 121.463 121.463 120.819 0.644 25434 1429 1 4 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.663 0.017 25434 1430 1 4 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.825 1.345 25434 1431 1 4 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.019 0.047 25434 1432 1 4 . 1 1 51 51 TYR H H 51 8.931 8.931 8.743 0.188 25434 1433 1 4 . 1 1 52 52 LEU N N 52 122.429 122.429 123.024 -0.595 25434 1434 1 4 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.483 0.065 25434 1435 1 4 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.226 1.207 25434 1436 1 4 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.462 1.587 25434 1437 1 4 . 1 1 52 52 LEU H H 52 9.726 9.726 9.275 0.451 25434 1438 1 4 . 1 1 53 53 TYR N N 53 117.639 117.639 114.720 2.919 25434 1439 1 4 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.446 0.431 25434 1440 1 4 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.662 0.055 25434 1441 1 4 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.739 0.389 25434 1442 1 4 . 1 1 53 53 TYR H H 53 9.533 9.533 9.181 0.352 25434 1443 1 4 . 1 1 54 54 TRP N N 54 122.206 122.206 124.803 -2.597 25434 1444 1 4 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.233 0.273 25434 1445 1 4 . 1 1 54 54 TRP CA C 54 56.813 56.813 57.352 -0.539 25434 1446 1 4 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.353 -0.005 25434 1447 1 4 . 1 1 54 54 TRP H H 54 9.253 9.253 9.310 -0.057 25434 1448 1 4 . 1 1 55 55 ASP N N 55 128.978 128.978 127.538 1.440 25434 1449 1 4 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.597 0.098 25434 1450 1 4 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.485 -0.602 25434 1451 1 4 . 1 1 55 55 ASP CB C 55 42.843 42.843 41.499 1.344 25434 1452 1 4 . 1 1 55 55 ASP H H 55 8.031 8.031 7.739 0.292 25434 1453 1 4 . 1 1 56 56 GLY N N 56 111.521 111.521 110.640 0.881 25434 1454 1 4 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.193 0.582 25434 1455 1 4 . 1 1 56 56 GLY H H 56 8.548 8.548 8.307 0.241 25434 1456 1 4 . 1 1 57 57 GLU N N 57 120.202 120.202 119.148 1.054 25434 1457 1 4 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.121 0.172 25434 1458 1 4 . 1 1 57 57 GLU CA C 57 58.318 58.318 57.991 0.327 25434 1459 1 4 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.631 0.252 25434 1460 1 4 . 1 1 57 57 GLU H H 57 8.188 8.188 8.020 0.168 25434 1461 1 4 . 1 1 58 58 ARG N N 58 116.912 116.912 116.214 0.698 25434 1462 1 4 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.592 -0.461 25434 1463 1 4 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.632 0.810 25434 1464 1 4 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.528 0.359 25434 1465 1 4 . 1 1 58 58 ARG H H 58 7.636 7.636 7.433 0.203 25434 1466 1 4 . 1 1 59 59 ARG N N 59 116.563 116.563 118.358 -1.795 25434 1467 1 4 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.507 -0.270 25434 1468 1 4 . 1 1 59 59 ARG CA C 59 56.732 56.732 57.177 -0.445 25434 1469 1 4 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.361 -0.727 25434 1470 1 4 . 1 1 59 59 ARG H H 59 7.878 7.878 7.926 -0.048 25434 1471 1 4 . 1 1 60 60 THR N N 60 109.170 109.170 110.379 -1.209 25434 1472 1 4 . 1 1 60 60 THR HA H 60 4.516 4.516 4.602 -0.086 25434 1473 1 4 . 1 1 60 60 THR CA C 60 60.050 60.050 59.693 0.357 25434 1474 1 4 . 1 1 60 60 THR CB C 60 69.758 69.758 70.999 -1.240 25434 1475 1 4 . 1 1 60 60 THR H H 60 6.591 6.591 6.867 -0.276 25434 1476 1 4 . 1 1 61 61 TYR N N 61 120.491 120.491 120.599 -0.108 25434 1477 1 4 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.140 -0.065 25434 1478 1 4 . 1 1 61 61 TYR CA C 61 57.393 57.393 57.022 0.371 25434 1479 1 4 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.986 0.395 25434 1480 1 4 . 1 1 61 61 TYR H H 61 7.474 7.474 8.383 -0.909 25434 1481 1 4 . 1 1 62 62 VAL N N 62 123.115 123.115 118.082 5.033 25434 1482 1 4 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.710 -0.066 25434 1483 1 4 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.659 0.951 25434 1484 1 4 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.826 0.592 25434 1485 1 4 . 1 1 62 62 VAL H H 62 9.176 9.176 8.691 0.485 25434 1486 1 4 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.660 0.104 25434 1487 1 4 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.688 0.952 25434 1488 1 4 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.971 0.587 25434 1489 1 4 . 1 1 64 64 ALA N N 64 126.032 126.032 125.853 0.179 25434 1490 1 4 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.647 -0.002 25434 1491 1 4 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.693 -0.567 25434 1492 1 4 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.462 0.290 25434 1493 1 4 . 1 1 64 64 ALA H H 64 8.708 8.708 8.510 0.198 25434 1494 1 4 . 1 1 65 65 LEU N N 65 120.884 120.884 119.373 1.511 25434 1495 1 4 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.042 0.449 25434 1496 1 4 . 1 1 65 65 LEU CA C 65 55.656 55.656 56.767 -1.111 25434 1497 1 4 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.500 1.138 25434 1498 1 4 . 1 1 65 65 LEU H H 65 8.469 8.469 8.204 0.265 25434 1499 1 4 . 1 1 66 66 GLU N N 66 115.912 115.912 115.908 0.004 25434 1500 1 4 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.100 0.446 25434 1501 1 4 . 1 1 66 66 GLU CA C 66 55.780 55.780 57.663 -1.883 25434 1502 1 4 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.625 3.402 25434 1503 1 4 . 1 1 66 66 GLU H H 66 8.328 8.328 8.277 0.051 25434 1504 1 4 . 1 1 67 67 GLN N N 67 120.380 120.380 119.477 0.903 25434 1505 1 4 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.238 0.244 25434 1506 1 4 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.268 -0.497 25434 1507 1 4 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.804 1.936 25434 1508 1 4 . 1 1 67 67 GLN H H 67 8.478 8.478 7.380 1.098 25434 1509 1 4 . 1 1 68 68 SER N N 68 116.287 116.287 117.330 -1.043 25434 1510 1 4 . 1 1 68 68 SER HA H 68 4.575 4.575 4.571 0.004 25434 1511 1 4 . 1 1 68 68 SER CA C 68 58.309 58.309 57.609 0.700 25434 1512 1 4 . 1 1 68 68 SER CB C 68 64.119 64.119 63.741 0.378 25434 1513 1 4 . 1 1 68 68 SER H H 68 8.370 8.370 8.410 -0.040 25434 1514 1 4 . 1 1 69 69 ALA N N 69 125.968 125.968 124.392 1.576 25434 1515 1 4 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.240 0.203 25434 1516 1 4 . 1 1 69 69 ALA CA C 69 52.982 52.982 53.307 -0.325 25434 1517 1 4 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.350 1.015 25434 1518 1 4 . 1 1 69 69 ALA H H 69 8.533 8.533 8.166 0.367 25434 1519 1 4 . 1 1 70 70 ASP N N 70 118.262 118.262 122.641 -4.379 25434 1520 1 4 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.655 0.027 25434 1521 1 4 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.526 -0.057 25434 1522 1 4 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.642 -0.263 25434 1523 1 4 . 1 1 70 70 ASP H H 70 8.300 8.300 8.748 -0.448 25434 1524 1 4 . 1 1 71 71 GLY N N 71 108.495 108.495 109.260 -0.765 25434 1525 1 4 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.807 1.015 25434 1526 1 4 . 1 1 71 71 GLY H H 71 8.291 8.291 7.986 0.305 25434 1527 1 4 . 1 1 72 72 HIS N N 72 118.240 118.240 116.324 1.916 25434 1528 1 4 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.092 0.675 25434 1529 1 4 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.078 -1.232 25434 1530 1 4 . 1 1 72 72 HIS CB C 72 29.363 29.363 28.817 0.546 25434 1531 1 4 . 1 1 72 72 HIS H H 72 8.354 8.354 8.677 -0.323 25434 1532 1 4 . 1 1 73 73 LYS N N 73 121.591 121.591 118.203 3.388 25434 1533 1 4 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.549 -0.106 25434 1534 1 4 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.505 1.096 25434 1535 1 4 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.788 -0.655 25434 1536 1 4 . 1 1 73 73 LYS H H 73 8.457 8.457 8.480 -0.023 25434 1537 1 4 . 1 1 74 74 GLU N N 74 122.169 122.169 119.101 3.068 25434 1538 1 4 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.279 0.215 25434 1539 1 4 . 1 1 74 74 GLU CA C 74 56.565 56.565 56.514 0.051 25434 1540 1 4 . 1 1 74 74 GLU CB C 74 30.327 30.327 30.476 -0.149 25434 1541 1 4 . 1 1 74 74 GLU H H 74 8.669 8.669 7.949 0.720 25434 1542 1 4 . 1 1 75 75 THR N N 75 114.560 114.560 115.711 -1.151 25434 1543 1 4 . 1 1 75 75 THR HA H 75 4.463 4.463 4.041 0.422 25434 1544 1 4 . 1 1 75 75 THR CA C 75 61.998 61.998 65.293 -3.295 25434 1545 1 4 . 1 1 75 75 THR CB C 75 69.901 69.901 68.558 1.343 25434 1546 1 4 . 1 1 75 75 THR H H 75 8.313 8.313 8.757 -0.444 25434 1547 1 4 . 1 1 76 76 GLY N N 76 110.986 110.986 108.041 2.945 25434 1548 1 4 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.881 0.513 25434 1549 1 4 . 1 1 76 76 GLY H H 76 8.493 8.493 7.947 0.546 25434 1550 1 4 . 1 1 77 77 ALA N N 77 123.316 123.316 122.518 0.798 25434 1551 1 4 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.085 0.549 25434 1552 1 4 . 1 1 77 77 ALA CA C 77 50.611 50.611 51.776 -1.165 25434 1553 1 4 . 1 1 77 77 ALA CB C 77 18.471 18.471 17.523 0.948 25434 1554 1 4 . 1 1 77 77 ALA H H 77 8.025 8.025 7.681 0.344 25434 1555 1 4 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.329 0.399 25434 1556 1 4 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.538 -0.569 25434 1557 1 4 . 1 1 79 79 SER N N 79 116.876 116.876 112.167 4.709 25434 1558 1 4 . 1 1 79 79 SER HA H 79 4.543 4.543 4.534 0.009 25434 1559 1 4 . 1 1 79 79 SER CA C 79 58.548 58.548 57.116 1.432 25434 1560 1 4 . 1 1 79 79 SER CB C 79 63.972 63.972 64.917 -0.945 25434 1561 1 4 . 1 1 79 79 SER H H 79 8.627 8.627 7.477 1.150 25434 1562 1 4 . 1 1 80 80 LYS N N 80 122.282 122.282 121.609 0.673 25434 1563 1 4 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.556 -0.159 25434 1564 1 4 . 1 1 80 80 LYS CA C 80 56.628 56.628 55.684 0.944 25434 1565 1 4 . 1 1 80 80 LYS CB C 80 33.268 33.268 33.167 0.101 25434 1566 1 4 . 1 1 80 80 LYS H H 80 8.359 8.359 8.641 -0.282 25434 1567 1 4 . 1 1 81 81 GLU N N 81 121.390 121.390 120.361 1.029 25434 1568 1 4 . 1 1 81 81 GLU HA H 81 4.387 4.387 3.970 0.417 25434 1569 1 4 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.398 -0.625 25434 1570 1 4 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.877 1.498 25434 1571 1 4 . 1 1 81 81 GLU H H 81 8.521 8.521 7.862 0.659 25434 1572 1 4 . 1 1 82 82 GLY N N 82 109.657 109.657 111.547 -1.890 25434 1573 1 4 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.183 0.550 25434 1574 1 4 . 1 1 82 82 GLY H H 82 8.491 8.491 8.968 -0.477 25434 1575 1 4 . 1 1 83 83 LYS N N 83 120.424 120.424 120.654 -0.230 25434 1576 1 4 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.493 -0.098 25434 1577 1 4 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.297 1.603 25434 1578 1 4 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.854 0.368 25434 1579 1 4 . 1 1 83 83 LYS H H 83 8.237 8.237 8.381 -0.144 25434 1580 1 4 . 1 1 84 84 GLU N N 84 120.758 120.758 119.745 1.013 25434 1581 1 4 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.223 0.155 25434 1582 1 4 . 1 1 84 84 GLU CA C 84 56.735 56.735 57.428 -0.693 25434 1583 1 4 . 1 1 84 84 GLU CB C 84 30.602 30.602 28.585 2.017 25434 1584 1 4 . 1 1 84 84 GLU H H 84 8.571 8.571 8.325 0.246 25434 1585 1 4 . 1 1 85 85 LYS N N 85 122.155 122.155 116.854 5.301 25434 1586 1 4 . 1 1 85 85 LYS HA H 85 4.411 4.411 3.797 0.614 25434 1587 1 4 . 1 1 85 85 LYS CA C 85 56.321 56.321 59.410 -3.089 25434 1588 1 4 . 1 1 85 85 LYS CB C 85 33.193 33.193 31.360 1.833 25434 1589 1 4 . 1 1 85 85 LYS H H 85 8.558 8.558 8.752 -0.194 25434 1590 1 4 . 1 1 86 86 LYS N N 86 122.185 122.185 120.599 1.586 25434 1591 1 4 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.203 0.169 25434 1592 1 4 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.440 0.230 25434 1593 1 4 . 1 1 86 86 LYS CB C 86 33.268 33.268 31.155 2.113 25434 1594 1 4 . 1 1 86 86 LYS H H 86 8.397 8.397 7.728 0.669 25434 1595 1 4 . 1 1 87 87 GLU N N 87 124.443 124.443 117.185 7.258 25434 1596 1 4 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.388 0.136 25434 1597 1 4 . 1 1 87 87 GLU CA C 87 58.257 58.257 55.840 2.417 25434 1598 1 4 . 1 1 87 87 GLU CB C 87 33.559 33.559 30.015 3.544 25434 1599 1 4 . 1 1 87 87 GLU H H 87 8.175 8.175 7.905 0.270 25434 1600 1 4 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.778 0.009 25434 1601 1 4 . 1 1 89 89 HIS CA C 89 55.754 55.754 54.261 1.493 25434 1602 1 4 . 1 1 89 89 HIS CB C 89 30.327 30.327 31.755 -1.428 25434 1603 1 4 . 1 1 90 90 LYS N N 90 122.178 122.178 120.507 1.671 25434 1604 1 4 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.322 0.075 25434 1605 1 4 . 1 1 90 90 LYS CA C 90 56.597 56.597 55.921 0.676 25434 1606 1 4 . 1 1 90 90 LYS CB C 90 33.222 33.222 32.448 0.774 25434 1607 1 4 . 1 1 90 90 LYS H H 90 8.335 8.335 8.829 -0.494 25434 1608 1 4 . 1 1 91 91 THR N N 91 121.268 121.268 113.023 8.245 25434 1609 1 4 . 1 1 91 91 THR HA H 91 4.453 4.453 3.133 1.320 25434 1610 1 4 . 1 1 91 91 THR CA C 91 61.956 61.956 63.081 -1.125 25434 1611 1 4 . 1 1 91 91 THR CB C 91 69.916 69.916 67.418 2.498 25434 1612 1 4 . 1 1 91 91 THR H H 91 8.047 8.047 7.399 0.648 25434 1613 1 5 . 1 1 5 5 GLU N N 5 123.289 123.289 117.778 5.511 25434 1614 1 5 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.093 0.441 25434 1615 1 5 . 1 1 5 5 GLU CA C 5 63.240 63.240 57.191 6.049 25434 1616 1 5 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.127 3.098 25434 1617 1 5 . 1 1 5 5 GLU H H 5 8.538 8.538 8.250 0.288 25434 1618 1 5 . 1 1 6 6 SER N N 6 115.506 115.506 113.956 1.550 25434 1619 1 5 . 1 1 6 6 SER HA H 6 4.552 4.552 4.059 0.493 25434 1620 1 5 . 1 1 6 6 SER CA C 6 58.231 58.231 58.207 0.024 25434 1621 1 5 . 1 1 6 6 SER CB C 6 64.028 64.028 62.681 1.347 25434 1622 1 5 . 1 1 6 6 SER H H 6 8.435 8.435 8.339 0.096 25434 1623 1 5 . 1 1 7 7 TYR N N 7 121.104 121.104 121.828 -0.724 25434 1624 1 5 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.368 0.374 25434 1625 1 5 . 1 1 7 7 TYR CA C 7 57.611 57.611 59.676 -2.065 25434 1626 1 5 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.864 0.312 25434 1627 1 5 . 1 1 7 7 TYR H H 7 8.137 8.137 8.330 -0.193 25434 1628 1 5 . 1 1 8 8 SER N N 8 116.875 116.875 119.381 -2.506 25434 1629 1 5 . 1 1 8 8 SER HA H 8 4.539 4.539 5.027 -0.488 25434 1630 1 5 . 1 1 8 8 SER CA C 8 58.327 58.327 57.376 0.951 25434 1631 1 5 . 1 1 8 8 SER CB C 8 63.958 63.958 65.864 -1.906 25434 1632 1 5 . 1 1 8 8 SER H H 8 8.364 8.364 8.410 -0.046 25434 1633 1 5 . 1 1 9 9 GLN N N 9 120.999 120.999 118.759 2.240 25434 1634 1 5 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.508 -0.065 25434 1635 1 5 . 1 1 9 9 GLN CA C 9 56.678 56.678 55.946 0.732 25434 1636 1 5 . 1 1 9 9 GLN CB C 9 30.372 30.372 30.950 -0.578 25434 1637 1 5 . 1 1 9 9 GLN H H 9 8.414 8.414 8.605 -0.191 25434 1638 1 5 . 1 1 10 10 TYR N N 10 121.815 121.815 123.204 -1.389 25434 1639 1 5 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.951 0.023 25434 1640 1 5 . 1 1 10 10 TYR CA C 10 56.383 56.383 56.593 -0.210 25434 1641 1 5 . 1 1 10 10 TYR CB C 10 40.009 40.009 37.931 2.078 25434 1642 1 5 . 1 1 10 10 TYR H H 10 8.549 8.549 8.540 0.009 25434 1643 1 5 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.456 0.160 25434 1644 1 5 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.590 -0.591 25434 1645 1 5 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.421 -0.218 25434 1646 1 5 . 1 1 12 12 VAL N N 12 120.450 120.450 119.225 1.225 25434 1647 1 5 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.206 -0.406 25434 1648 1 5 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.901 0.556 25434 1649 1 5 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.641 0.610 25434 1650 1 5 . 1 1 12 12 VAL H H 12 8.074 8.074 8.324 -0.250 25434 1651 1 5 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.462 -0.444 25434 1652 1 5 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.437 0.743 25434 1653 1 5 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.985 -0.353 25434 1654 1 5 . 1 1 14 14 ASP N N 14 120.579 120.579 118.875 1.704 25434 1655 1 5 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.478 0.233 25434 1656 1 5 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.680 -0.606 25434 1657 1 5 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.583 -2.533 25434 1658 1 5 . 1 1 14 14 ASP H H 14 8.148 8.148 8.024 0.124 25434 1659 1 5 . 1 1 15 15 VAL N N 15 120.884 120.884 126.709 -5.825 25434 1660 1 5 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.938 0.232 25434 1661 1 5 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.711 -0.941 25434 1662 1 5 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.235 -0.339 25434 1663 1 5 . 1 1 15 15 VAL H H 15 8.161 8.161 8.408 -0.247 25434 1664 1 5 . 1 1 16 16 SER N N 16 116.885 116.885 115.206 1.679 25434 1665 1 5 . 1 1 16 16 SER HA H 16 4.294 4.294 4.082 0.212 25434 1666 1 5 . 1 1 16 16 SER CA C 16 61.011 61.011 60.497 0.514 25434 1667 1 5 . 1 1 16 16 SER CB C 16 63.004 63.004 63.168 -0.164 25434 1668 1 5 . 1 1 16 16 SER H H 16 8.139 8.139 8.446 -0.307 25434 1669 1 5 . 1 1 17 17 THR N N 17 110.397 110.397 115.094 -4.697 25434 1670 1 5 . 1 1 17 17 THR HA H 17 4.558 4.558 4.541 0.017 25434 1671 1 5 . 1 1 17 17 THR CA C 17 61.987 61.987 61.518 0.469 25434 1672 1 5 . 1 1 17 17 THR CB C 17 70.459 70.459 69.521 0.938 25434 1673 1 5 . 1 1 17 17 THR H H 17 7.549 7.549 7.507 0.042 25434 1674 1 5 . 1 1 18 18 TYR N N 18 120.956 120.956 121.561 -0.605 25434 1675 1 5 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.517 0.651 25434 1676 1 5 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.518 -2.695 25434 1677 1 5 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.407 -1.667 25434 1678 1 5 . 1 1 18 18 TYR H H 18 7.365 7.365 7.649 -0.284 25434 1679 1 5 . 1 1 19 19 GLN N N 19 119.670 119.670 116.568 3.102 25434 1680 1 5 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.836 0.216 25434 1681 1 5 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.639 -0.253 25434 1682 1 5 . 1 1 19 19 GLN CB C 19 31.447 31.447 32.817 -1.370 25434 1683 1 5 . 1 1 19 19 GLN H H 19 9.372 9.372 8.816 0.556 25434 1684 1 5 . 1 1 20 20 TYR N N 20 126.395 126.395 123.187 3.208 25434 1685 1 5 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.522 -0.420 25434 1686 1 5 . 1 1 20 20 TYR CA C 20 59.374 59.374 57.836 1.538 25434 1687 1 5 . 1 1 20 20 TYR CB C 20 39.026 39.026 40.165 -1.139 25434 1688 1 5 . 1 1 20 20 TYR H H 20 9.433 9.433 8.850 0.583 25434 1689 1 5 . 1 1 21 21 ASP N N 21 128.962 128.962 126.615 2.347 25434 1690 1 5 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.913 -0.033 25434 1691 1 5 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.664 -1.331 25434 1692 1 5 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.444 0.888 25434 1693 1 5 . 1 1 21 21 ASP H H 21 8.128 8.128 8.361 -0.233 25434 1694 1 5 . 1 1 22 22 GLU N N 22 124.636 124.636 122.245 2.391 25434 1695 1 5 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.605 0.193 25434 1696 1 5 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.838 -0.205 25434 1697 1 5 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.050 0.662 25434 1698 1 5 . 1 1 22 22 GLU H H 22 8.768 8.768 8.611 0.157 25434 1699 1 5 . 1 1 23 23 THR N N 23 112.402 112.402 112.895 -0.493 25434 1700 1 5 . 1 1 23 23 THR HA H 23 4.045 4.045 4.143 -0.098 25434 1701 1 5 . 1 1 23 23 THR CA C 23 65.526 65.526 64.300 1.226 25434 1702 1 5 . 1 1 23 23 THR CB C 23 68.434 68.434 69.106 -0.672 25434 1703 1 5 . 1 1 23 23 THR H H 23 8.031 8.031 8.052 -0.021 25434 1704 1 5 . 1 1 24 24 SER N N 24 113.712 113.712 114.451 -0.739 25434 1705 1 5 . 1 1 24 24 SER HA H 24 4.327 4.327 4.697 -0.370 25434 1706 1 5 . 1 1 24 24 SER CA C 24 59.046 59.046 58.700 0.346 25434 1707 1 5 . 1 1 24 24 SER CB C 24 65.024 65.024 64.828 0.196 25434 1708 1 5 . 1 1 24 24 SER H H 24 7.503 7.503 7.733 -0.230 25434 1709 1 5 . 1 1 25 25 GLY N N 25 111.227 111.227 108.968 2.259 25434 1710 1 5 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.531 0.096 25434 1711 1 5 . 1 1 25 25 GLY H H 25 8.304 8.304 8.049 0.255 25434 1712 1 5 . 1 1 26 26 TYR N N 26 117.907 117.907 116.999 0.908 25434 1713 1 5 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.882 0.505 25434 1714 1 5 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.403 -2.397 25434 1715 1 5 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.688 -0.945 25434 1716 1 5 . 1 1 26 26 TYR H H 26 7.951 7.951 7.179 0.772 25434 1717 1 5 . 1 1 27 27 TYR N N 27 116.474 116.474 117.629 -1.155 25434 1718 1 5 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.431 -0.073 25434 1719 1 5 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.806 0.437 25434 1720 1 5 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.900 0.512 25434 1721 1 5 . 1 1 27 27 TYR H H 27 9.253 9.253 9.627 -0.374 25434 1722 1 5 . 1 1 28 28 TYR N N 28 122.756 122.756 122.374 0.382 25434 1723 1 5 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.453 0.325 25434 1724 1 5 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.329 1.654 25434 1725 1 5 . 1 1 28 28 TYR CB C 28 41.995 41.995 42.008 -0.013 25434 1726 1 5 . 1 1 28 28 TYR H H 28 9.686 9.686 9.487 0.199 25434 1727 1 5 . 1 1 29 29 ASP N N 29 125.994 125.994 126.202 -0.208 25434 1728 1 5 . 1 1 29 29 ASP HA H 29 4.752 4.752 3.856 0.896 25434 1729 1 5 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.495 -0.293 25434 1730 1 5 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.181 0.984 25434 1731 1 5 . 1 1 29 29 ASP H H 29 7.954 7.954 8.315 -0.361 25434 1732 1 5 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.805 0.265 25434 1733 1 5 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.017 -0.409 25434 1734 1 5 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.768 0.824 25434 1735 1 5 . 1 1 31 31 GLN N N 31 115.244 115.244 118.202 -2.958 25434 1736 1 5 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.091 0.141 25434 1737 1 5 . 1 1 31 31 GLN CA C 31 58.517 58.517 58.039 0.478 25434 1738 1 5 . 1 1 31 31 GLN CB C 31 29.305 29.305 28.767 0.538 25434 1739 1 5 . 1 1 31 31 GLN H H 31 7.989 7.989 8.284 -0.295 25434 1740 1 5 . 1 1 32 32 THR N N 32 104.641 104.641 106.268 -1.627 25434 1741 1 5 . 1 1 32 32 THR HA H 32 4.332 4.332 4.445 -0.113 25434 1742 1 5 . 1 1 32 32 THR CA C 32 61.768 61.768 61.945 -0.177 25434 1743 1 5 . 1 1 32 32 THR CB C 32 71.212 71.212 71.581 -0.369 25434 1744 1 5 . 1 1 32 32 THR H H 32 6.765 6.765 7.988 -1.223 25434 1745 1 5 . 1 1 33 33 GLY N N 33 111.318 111.318 111.144 0.174 25434 1746 1 5 . 1 1 33 33 GLY CA C 33 45.527 45.527 44.964 0.563 25434 1747 1 5 . 1 1 33 33 GLY H H 33 8.439 8.439 8.063 0.376 25434 1748 1 5 . 1 1 34 34 LEU N N 34 118.537 118.537 118.767 -0.230 25434 1749 1 5 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.684 -0.083 25434 1750 1 5 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.230 -0.209 25434 1751 1 5 . 1 1 34 34 LEU CB C 34 44.529 44.529 43.094 1.435 25434 1752 1 5 . 1 1 34 34 LEU H H 34 7.422 7.422 6.986 0.436 25434 1753 1 5 . 1 1 35 35 TYR N N 35 116.166 116.166 116.371 -0.205 25434 1754 1 5 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.275 0.247 25434 1755 1 5 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.306 -0.060 25434 1756 1 5 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.072 -1.196 25434 1757 1 5 . 1 1 35 35 TYR H H 35 8.692 8.692 8.730 -0.038 25434 1758 1 5 . 1 1 36 36 TYR N N 36 121.442 121.442 119.929 1.513 25434 1759 1 5 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.795 0.161 25434 1760 1 5 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.828 0.149 25434 1761 1 5 . 1 1 36 36 TYR CB C 36 42.714 42.714 43.112 -0.398 25434 1762 1 5 . 1 1 36 36 TYR H H 36 9.745 9.745 9.611 0.134 25434 1763 1 5 . 1 1 37 37 ASP N N 37 127.129 127.129 122.611 4.518 25434 1764 1 5 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.112 0.129 25434 1765 1 5 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.559 -0.277 25434 1766 1 5 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.370 -1.511 25434 1767 1 5 . 1 1 37 37 ASP H H 37 8.029 8.029 7.593 0.436 25434 1768 1 5 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.296 -0.217 25434 1769 1 5 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.796 -1.067 25434 1770 1 5 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.370 0.118 25434 1771 1 5 . 1 1 39 39 ASN N N 39 115.838 115.838 116.087 -0.249 25434 1772 1 5 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.601 0.077 25434 1773 1 5 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.750 0.969 25434 1774 1 5 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.832 -0.845 25434 1775 1 5 . 1 1 39 39 ASN H H 39 8.232 8.232 8.495 -0.263 25434 1776 1 5 . 1 1 40 40 SER N N 40 112.476 112.476 114.995 -2.519 25434 1777 1 5 . 1 1 40 40 SER HA H 40 4.346 4.346 4.652 -0.306 25434 1778 1 5 . 1 1 40 40 SER CA C 40 58.832 58.832 57.342 1.490 25434 1779 1 5 . 1 1 40 40 SER CB C 40 64.576 64.576 63.351 1.225 25434 1780 1 5 . 1 1 40 40 SER H H 40 7.371 7.371 8.177 -0.806 25434 1781 1 5 . 1 1 41 41 GLN N N 41 114.329 114.329 121.575 -7.246 25434 1782 1 5 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.860 -0.080 25434 1783 1 5 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.255 1.907 25434 1784 1 5 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.794 -2.817 25434 1785 1 5 . 1 1 41 41 GLN H H 41 8.203 8.203 8.568 -0.365 25434 1786 1 5 . 1 1 42 42 TYR N N 42 115.202 115.202 117.575 -2.373 25434 1787 1 5 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.826 0.695 25434 1788 1 5 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.568 -0.932 25434 1789 1 5 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.486 2.895 25434 1790 1 5 . 1 1 42 42 TYR H H 42 7.621 7.621 7.433 0.188 25434 1791 1 5 . 1 1 43 43 TYR N N 43 118.608 118.608 124.370 -5.762 25434 1792 1 5 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.914 0.781 25434 1793 1 5 . 1 1 43 43 TYR CA C 43 57.321 57.321 58.479 -1.158 25434 1794 1 5 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.813 2.045 25434 1795 1 5 . 1 1 43 43 TYR H H 43 9.724 9.724 9.178 0.546 25434 1796 1 5 . 1 1 44 44 TYR N N 44 121.727 121.727 123.719 -1.992 25434 1797 1 5 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.653 0.529 25434 1798 1 5 . 1 1 44 44 TYR CA C 44 56.548 56.548 55.310 1.238 25434 1799 1 5 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.638 2.625 25434 1800 1 5 . 1 1 44 44 TYR H H 44 9.594 9.594 9.443 0.151 25434 1801 1 5 . 1 1 45 45 ASN N N 45 125.423 125.423 127.692 -2.269 25434 1802 1 5 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.664 0.341 25434 1803 1 5 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.790 0.130 25434 1804 1 5 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.008 1.263 25434 1805 1 5 . 1 1 45 45 ASN H H 45 8.244 8.244 8.948 -0.704 25434 1806 1 5 . 1 1 46 46 ALA N N 46 126.039 126.039 126.812 -0.773 25434 1807 1 5 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.218 0.559 25434 1808 1 5 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.384 -0.611 25434 1809 1 5 . 1 1 46 46 ALA CB C 46 19.155 19.155 17.999 1.156 25434 1810 1 5 . 1 1 46 46 ALA H H 46 8.974 8.974 7.607 1.367 25434 1811 1 5 . 1 1 47 47 GLN N N 47 116.850 116.850 118.606 -1.756 25434 1812 1 5 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.053 0.241 25434 1813 1 5 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.133 0.495 25434 1814 1 5 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.989 -0.466 25434 1815 1 5 . 1 1 47 47 GLN H H 47 8.349 8.349 8.653 -0.304 25434 1816 1 5 . 1 1 48 48 SER N N 48 111.872 111.872 111.633 0.239 25434 1817 1 5 . 1 1 48 48 SER HA H 48 4.474 4.474 4.661 -0.187 25434 1818 1 5 . 1 1 48 48 SER CA C 48 57.580 57.580 58.206 -0.626 25434 1819 1 5 . 1 1 48 48 SER CB C 48 64.262 64.262 64.357 -0.095 25434 1820 1 5 . 1 1 48 48 SER H H 48 7.544 7.544 7.531 0.013 25434 1821 1 5 . 1 1 49 49 GLN N N 49 118.063 118.063 116.837 1.226 25434 1822 1 5 . 1 1 49 49 GLN HA H 49 3.721 3.721 4.025 -0.304 25434 1823 1 5 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.609 -0.434 25434 1824 1 5 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.895 -0.962 25434 1825 1 5 . 1 1 49 49 GLN H H 49 7.969 7.969 7.921 0.048 25434 1826 1 5 . 1 1 50 50 GLN N N 50 116.254 116.254 117.575 -1.321 25434 1827 1 5 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.724 0.095 25434 1828 1 5 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.696 -0.195 25434 1829 1 5 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.410 2.000 25434 1830 1 5 . 1 1 50 50 GLN H H 50 7.180 7.180 7.603 -0.423 25434 1831 1 5 . 1 1 51 51 TYR N N 51 121.463 121.463 121.300 0.163 25434 1832 1 5 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.552 0.128 25434 1833 1 5 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.393 0.777 25434 1834 1 5 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.365 -0.299 25434 1835 1 5 . 1 1 51 51 TYR H H 51 8.931 8.931 8.747 0.184 25434 1836 1 5 . 1 1 52 52 LEU N N 52 122.429 122.429 122.902 -0.473 25434 1837 1 5 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.608 -0.060 25434 1838 1 5 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.180 1.253 25434 1839 1 5 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.460 1.589 25434 1840 1 5 . 1 1 52 52 LEU H H 52 9.726 9.726 9.261 0.465 25434 1841 1 5 . 1 1 53 53 TYR N N 53 117.639 117.639 114.865 2.774 25434 1842 1 5 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.510 0.367 25434 1843 1 5 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.603 0.114 25434 1844 1 5 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.710 0.417 25434 1845 1 5 . 1 1 53 53 TYR H H 53 9.533 9.533 9.234 0.299 25434 1846 1 5 . 1 1 54 54 TRP N N 54 122.206 122.206 123.660 -1.454 25434 1847 1 5 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.161 0.345 25434 1848 1 5 . 1 1 54 54 TRP CA C 54 56.813 56.813 57.106 -0.293 25434 1849 1 5 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.302 0.046 25434 1850 1 5 . 1 1 54 54 TRP H H 54 9.253 9.253 9.293 -0.040 25434 1851 1 5 . 1 1 55 55 ASP N N 55 128.978 128.978 127.572 1.406 25434 1852 1 5 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.585 0.110 25434 1853 1 5 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.105 -0.222 25434 1854 1 5 . 1 1 55 55 ASP CB C 55 42.843 42.843 41.869 0.974 25434 1855 1 5 . 1 1 55 55 ASP H H 55 8.031 8.031 7.824 0.207 25434 1856 1 5 . 1 1 56 56 GLY N N 56 111.521 111.521 112.683 -1.162 25434 1857 1 5 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.159 0.616 25434 1858 1 5 . 1 1 56 56 GLY H H 56 8.548 8.548 8.382 0.166 25434 1859 1 5 . 1 1 57 57 GLU N N 57 120.202 120.202 120.572 -0.370 25434 1860 1 5 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.004 0.289 25434 1861 1 5 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.550 -0.232 25434 1862 1 5 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.553 0.330 25434 1863 1 5 . 1 1 57 57 GLU H H 57 8.188 8.188 8.092 0.096 25434 1864 1 5 . 1 1 58 58 ARG N N 58 116.912 116.912 116.085 0.827 25434 1865 1 5 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.428 -0.297 25434 1866 1 5 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.929 0.513 25434 1867 1 5 . 1 1 58 58 ARG CB C 58 31.887 31.887 30.650 1.237 25434 1868 1 5 . 1 1 58 58 ARG H H 58 7.636 7.636 8.145 -0.509 25434 1869 1 5 . 1 1 59 59 ARG N N 59 116.563 116.563 116.387 0.176 25434 1870 1 5 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.448 -0.211 25434 1871 1 5 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.665 0.067 25434 1872 1 5 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.109 -0.475 25434 1873 1 5 . 1 1 59 59 ARG H H 59 7.878 7.878 7.444 0.434 25434 1874 1 5 . 1 1 60 60 THR N N 60 109.170 109.170 110.517 -1.347 25434 1875 1 5 . 1 1 60 60 THR HA H 60 4.516 4.516 4.757 -0.241 25434 1876 1 5 . 1 1 60 60 THR CA C 60 60.050 60.050 59.982 0.068 25434 1877 1 5 . 1 1 60 60 THR CB C 60 69.758 69.758 71.752 -1.994 25434 1878 1 5 . 1 1 60 60 THR H H 60 6.591 6.591 7.224 -0.633 25434 1879 1 5 . 1 1 61 61 TYR N N 61 120.491 120.491 123.748 -3.257 25434 1880 1 5 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.076 -0.001 25434 1881 1 5 . 1 1 61 61 TYR CA C 61 57.393 57.393 57.654 -0.261 25434 1882 1 5 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.347 1.034 25434 1883 1 5 . 1 1 61 61 TYR H H 61 7.474 7.474 8.181 -0.707 25434 1884 1 5 . 1 1 62 62 VAL N N 62 123.115 123.115 117.756 5.359 25434 1885 1 5 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.630 0.014 25434 1886 1 5 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.562 1.048 25434 1887 1 5 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.657 0.761 25434 1888 1 5 . 1 1 62 62 VAL H H 62 9.176 9.176 8.765 0.411 25434 1889 1 5 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.810 -0.046 25434 1890 1 5 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.607 1.034 25434 1891 1 5 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.674 0.884 25434 1892 1 5 . 1 1 64 64 ALA N N 64 126.032 126.032 127.362 -1.330 25434 1893 1 5 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.489 0.156 25434 1894 1 5 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.862 -0.736 25434 1895 1 5 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.931 0.821 25434 1896 1 5 . 1 1 64 64 ALA H H 64 8.708 8.708 8.917 -0.209 25434 1897 1 5 . 1 1 65 65 LEU N N 65 120.884 120.884 118.905 1.979 25434 1898 1 5 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.064 0.427 25434 1899 1 5 . 1 1 65 65 LEU CA C 65 55.656 55.656 57.364 -1.708 25434 1900 1 5 . 1 1 65 65 LEU CB C 65 42.638 42.638 42.456 0.181 25434 1901 1 5 . 1 1 65 65 LEU H H 65 8.469 8.469 8.488 -0.019 25434 1902 1 5 . 1 1 66 66 GLU N N 66 115.912 115.912 115.291 0.621 25434 1903 1 5 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.267 0.279 25434 1904 1 5 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.163 -0.383 25434 1905 1 5 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.923 3.104 25434 1906 1 5 . 1 1 66 66 GLU H H 66 8.328 8.328 8.118 0.210 25434 1907 1 5 . 1 1 67 67 GLN N N 67 120.380 120.380 118.653 1.727 25434 1908 1 5 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.110 0.372 25434 1909 1 5 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.996 -1.225 25434 1910 1 5 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.406 2.334 25434 1911 1 5 . 1 1 67 67 GLN H H 67 8.478 8.478 8.562 -0.084 25434 1912 1 5 . 1 1 68 68 SER N N 68 116.287 116.287 114.233 2.054 25434 1913 1 5 . 1 1 68 68 SER HA H 68 4.575 4.575 4.598 -0.023 25434 1914 1 5 . 1 1 68 68 SER CA C 68 58.309 58.309 58.554 -0.245 25434 1915 1 5 . 1 1 68 68 SER CB C 68 64.119 64.119 64.527 -0.408 25434 1916 1 5 . 1 1 68 68 SER H H 68 8.370 8.370 8.329 0.041 25434 1917 1 5 . 1 1 69 69 ALA N N 69 125.968 125.968 126.933 -0.965 25434 1918 1 5 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.724 -0.281 25434 1919 1 5 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.021 0.961 25434 1920 1 5 . 1 1 69 69 ALA CB C 69 19.365 19.365 20.722 -1.357 25434 1921 1 5 . 1 1 69 69 ALA H H 69 8.533 8.533 7.644 0.889 25434 1922 1 5 . 1 1 70 70 ASP N N 70 118.262 118.262 118.945 -0.683 25434 1923 1 5 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.518 0.164 25434 1924 1 5 . 1 1 70 70 ASP CA C 70 54.469 54.469 55.408 -0.939 25434 1925 1 5 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.145 0.234 25434 1926 1 5 . 1 1 70 70 ASP H H 70 8.300 8.300 8.561 -0.261 25434 1927 1 5 . 1 1 71 71 GLY N N 71 108.495 108.495 106.560 1.935 25434 1928 1 5 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.890 0.932 25434 1929 1 5 . 1 1 71 71 GLY H H 71 8.291 8.291 8.125 0.166 25434 1930 1 5 . 1 1 72 72 HIS N N 72 118.240 118.240 120.666 -2.426 25434 1931 1 5 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.376 0.391 25434 1932 1 5 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.732 -1.886 25434 1933 1 5 . 1 1 72 72 HIS CB C 72 29.363 29.363 30.219 -0.856 25434 1934 1 5 . 1 1 72 72 HIS H H 72 8.354 8.354 8.216 0.138 25434 1935 1 5 . 1 1 73 73 LYS N N 73 121.591 121.591 113.782 7.809 25434 1936 1 5 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.181 0.262 25434 1937 1 5 . 1 1 73 73 LYS CA C 73 56.601 56.601 57.292 -0.691 25434 1938 1 5 . 1 1 73 73 LYS CB C 73 33.133 33.133 29.608 3.525 25434 1939 1 5 . 1 1 73 73 LYS H H 73 8.457 8.457 8.579 -0.122 25434 1940 1 5 . 1 1 74 74 GLU N N 74 122.169 122.169 118.427 3.742 25434 1941 1 5 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.192 0.302 25434 1942 1 5 . 1 1 74 74 GLU CA C 74 56.565 56.565 58.382 -1.817 25434 1943 1 5 . 1 1 74 74 GLU CB C 74 30.327 30.327 29.990 0.337 25434 1944 1 5 . 1 1 74 74 GLU H H 74 8.669 8.669 8.877 -0.208 25434 1945 1 5 . 1 1 75 75 THR N N 75 114.560 114.560 109.933 4.627 25434 1946 1 5 . 1 1 75 75 THR HA H 75 4.463 4.463 4.517 -0.054 25434 1947 1 5 . 1 1 75 75 THR CA C 75 61.998 61.998 62.824 -0.826 25434 1948 1 5 . 1 1 75 75 THR CB C 75 69.901 69.901 70.193 -0.292 25434 1949 1 5 . 1 1 75 75 THR H H 75 8.313 8.313 7.842 0.471 25434 1950 1 5 . 1 1 76 76 GLY N N 76 110.986 110.986 110.128 0.858 25434 1951 1 5 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.353 0.041 25434 1952 1 5 . 1 1 76 76 GLY H H 76 8.493 8.493 7.878 0.615 25434 1953 1 5 . 1 1 77 77 ALA N N 77 123.316 123.316 122.178 1.138 25434 1954 1 5 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.754 -0.120 25434 1955 1 5 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.781 -0.170 25434 1956 1 5 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.676 -1.205 25434 1957 1 5 . 1 1 77 77 ALA H H 77 8.025 8.025 8.092 -0.067 25434 1958 1 5 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.468 0.260 25434 1959 1 5 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.409 0.560 25434 1960 1 5 . 1 1 79 79 SER N N 79 116.876 116.876 112.242 4.634 25434 1961 1 5 . 1 1 79 79 SER HA H 79 4.543 4.543 4.146 0.397 25434 1962 1 5 . 1 1 79 79 SER CA C 79 58.548 58.548 59.629 -1.081 25434 1963 1 5 . 1 1 79 79 SER CB C 79 63.972 63.972 63.014 0.958 25434 1964 1 5 . 1 1 79 79 SER H H 79 8.627 8.627 8.582 0.045 25434 1965 1 5 . 1 1 80 80 LYS N N 80 122.282 122.282 118.906 3.376 25434 1966 1 5 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.352 0.045 25434 1967 1 5 . 1 1 80 80 LYS CA C 80 56.628 56.628 57.361 -0.733 25434 1968 1 5 . 1 1 80 80 LYS CB C 80 33.268 33.268 32.933 0.335 25434 1969 1 5 . 1 1 80 80 LYS H H 80 8.359 8.359 7.993 0.366 25434 1970 1 5 . 1 1 81 81 GLU N N 81 121.390 121.390 116.201 5.189 25434 1971 1 5 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.310 0.077 25434 1972 1 5 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.308 -0.535 25434 1973 1 5 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.202 0.172 25434 1974 1 5 . 1 1 81 81 GLU H H 81 8.521 8.521 8.116 0.405 25434 1975 1 5 . 1 1 82 82 GLY N N 82 109.657 109.657 109.620 0.037 25434 1976 1 5 . 1 1 82 82 GLY CA C 82 45.733 45.733 44.890 0.843 25434 1977 1 5 . 1 1 82 82 GLY H H 82 8.491 8.491 8.420 0.071 25434 1978 1 5 . 1 1 83 83 LYS N N 83 120.424 120.424 121.168 -0.744 25434 1979 1 5 . 1 1 83 83 LYS HA H 83 4.395 4.395 3.868 0.527 25434 1980 1 5 . 1 1 83 83 LYS CA C 83 56.900 56.900 56.946 -0.046 25434 1981 1 5 . 1 1 83 83 LYS CB C 83 33.222 33.222 30.009 3.213 25434 1982 1 5 . 1 1 83 83 LYS H H 83 8.237 8.237 8.215 0.022 25434 1983 1 5 . 1 1 84 84 GLU N N 84 120.758 120.758 118.401 2.357 25434 1984 1 5 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.085 0.293 25434 1985 1 5 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.542 -1.807 25434 1986 1 5 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.730 0.872 25434 1987 1 5 . 1 1 84 84 GLU H H 84 8.571 8.571 8.580 -0.009 25434 1988 1 5 . 1 1 85 85 LYS N N 85 122.155 122.155 116.795 5.360 25434 1989 1 5 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.472 -0.061 25434 1990 1 5 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.989 0.332 25434 1991 1 5 . 1 1 85 85 LYS CB C 85 33.193 33.193 33.288 -0.094 25434 1992 1 5 . 1 1 85 85 LYS H H 85 8.558 8.558 8.263 0.295 25434 1993 1 5 . 1 1 86 86 LYS N N 86 122.185 122.185 120.655 1.530 25434 1994 1 5 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.562 -0.190 25434 1995 1 5 . 1 1 86 86 LYS CA C 86 56.669 56.669 55.656 1.013 25434 1996 1 5 . 1 1 86 86 LYS CB C 86 33.268 33.268 32.193 1.075 25434 1997 1 5 . 1 1 86 86 LYS H H 86 8.397 8.397 8.050 0.347 25434 1998 1 5 . 1 1 87 87 GLU N N 87 124.443 124.443 124.118 0.325 25434 1999 1 5 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.261 0.263 25434 2000 1 5 . 1 1 87 87 GLU CA C 87 58.257 58.257 55.789 2.468 25434 2001 1 5 . 1 1 87 87 GLU CB C 87 33.559 33.559 29.751 3.808 25434 2002 1 5 . 1 1 87 87 GLU H H 87 8.175 8.175 8.734 -0.559 25434 2003 1 5 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.805 -0.018 25434 2004 1 5 . 1 1 89 89 HIS CA C 89 55.754 55.754 54.078 1.676 25434 2005 1 5 . 1 1 89 89 HIS CB C 89 30.327 30.327 29.570 0.757 25434 2006 1 5 . 1 1 90 90 LYS N N 90 122.178 122.178 121.295 0.883 25434 2007 1 5 . 1 1 90 90 LYS HA H 90 4.397 4.397 3.999 0.398 25434 2008 1 5 . 1 1 90 90 LYS CA C 90 56.597 56.597 57.590 -0.993 25434 2009 1 5 . 1 1 90 90 LYS CB C 90 33.222 33.222 32.544 0.678 25434 2010 1 5 . 1 1 90 90 LYS H H 90 8.335 8.335 8.171 0.164 25434 2011 1 5 . 1 1 91 91 THR N N 91 121.268 121.268 113.978 7.290 25434 2012 1 5 . 1 1 91 91 THR HA H 91 4.453 4.453 4.314 0.139 25434 2013 1 5 . 1 1 91 91 THR CA C 91 61.956 61.956 61.894 0.062 25434 2014 1 5 . 1 1 91 91 THR CB C 91 69.916 69.916 69.896 0.020 25434 2015 1 5 . 1 1 91 91 THR H H 91 8.047 8.047 8.204 -0.157 25434 2016 1 6 . 1 1 5 5 GLU N N 5 123.289 123.289 122.859 0.430 25434 2017 1 6 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.613 -0.079 25434 2018 1 6 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.039 7.201 25434 2019 1 6 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.443 1.782 25434 2020 1 6 . 1 1 5 5 GLU H H 5 8.538 8.538 8.863 -0.325 25434 2021 1 6 . 1 1 6 6 SER N N 6 115.506 115.506 114.235 1.271 25434 2022 1 6 . 1 1 6 6 SER HA H 6 4.552 4.552 4.219 0.333 25434 2023 1 6 . 1 1 6 6 SER CA C 6 58.231 58.231 59.090 -0.859 25434 2024 1 6 . 1 1 6 6 SER CB C 6 64.028 64.028 62.332 1.696 25434 2025 1 6 . 1 1 6 6 SER H H 6 8.435 8.435 8.270 0.165 25434 2026 1 6 . 1 1 7 7 TYR N N 7 121.104 121.104 117.584 3.520 25434 2027 1 6 . 1 1 7 7 TYR HA H 7 4.742 4.742 5.388 -0.646 25434 2028 1 6 . 1 1 7 7 TYR CA C 7 57.611 57.611 56.716 0.895 25434 2029 1 6 . 1 1 7 7 TYR CB C 7 39.176 39.176 40.166 -0.990 25434 2030 1 6 . 1 1 7 7 TYR H H 7 8.137 8.137 7.821 0.316 25434 2031 1 6 . 1 1 8 8 SER N N 8 116.875 116.875 115.394 1.481 25434 2032 1 6 . 1 1 8 8 SER HA H 8 4.539 4.539 4.477 0.062 25434 2033 1 6 . 1 1 8 8 SER CA C 8 58.327 58.327 57.425 0.902 25434 2034 1 6 . 1 1 8 8 SER CB C 8 63.958 63.958 63.552 0.406 25434 2035 1 6 . 1 1 8 8 SER H H 8 8.364 8.364 8.558 -0.194 25434 2036 1 6 . 1 1 9 9 GLN N N 9 120.999 120.999 120.431 0.568 25434 2037 1 6 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.509 -0.066 25434 2038 1 6 . 1 1 9 9 GLN CA C 9 56.678 56.678 55.168 1.510 25434 2039 1 6 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.556 0.816 25434 2040 1 6 . 1 1 9 9 GLN H H 9 8.414 8.414 8.237 0.177 25434 2041 1 6 . 1 1 10 10 TYR N N 10 121.815 121.815 119.248 2.567 25434 2042 1 6 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.677 0.297 25434 2043 1 6 . 1 1 10 10 TYR CA C 10 56.383 56.383 57.640 -1.257 25434 2044 1 6 . 1 1 10 10 TYR CB C 10 40.009 40.009 38.386 1.623 25434 2045 1 6 . 1 1 10 10 TYR H H 10 8.549 8.549 8.352 0.197 25434 2046 1 6 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.521 0.095 25434 2047 1 6 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.736 -0.737 25434 2048 1 6 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.934 -0.731 25434 2049 1 6 . 1 1 12 12 VAL N N 12 120.450 120.450 119.425 1.025 25434 2050 1 6 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.202 -0.402 25434 2051 1 6 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.153 0.304 25434 2052 1 6 . 1 1 12 12 VAL CB C 12 32.251 32.251 32.203 0.048 25434 2053 1 6 . 1 1 12 12 VAL H H 12 8.074 8.074 8.344 -0.270 25434 2054 1 6 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.496 -0.478 25434 2055 1 6 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.612 0.568 25434 2056 1 6 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.977 -0.345 25434 2057 1 6 . 1 1 14 14 ASP N N 14 120.579 120.579 118.326 2.253 25434 2058 1 6 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.518 0.193 25434 2059 1 6 . 1 1 14 14 ASP CA C 14 52.074 52.074 53.574 -1.500 25434 2060 1 6 . 1 1 14 14 ASP CB C 14 41.050 41.050 41.435 -0.385 25434 2061 1 6 . 1 1 14 14 ASP H H 14 8.148 8.148 8.146 0.002 25434 2062 1 6 . 1 1 15 15 VAL N N 15 120.884 120.884 117.374 3.510 25434 2063 1 6 . 1 1 15 15 VAL HA H 15 2.170 2.170 2.317 -0.147 25434 2064 1 6 . 1 1 15 15 VAL CA C 15 62.769 62.769 62.578 0.191 25434 2065 1 6 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.219 -0.322 25434 2066 1 6 . 1 1 15 15 VAL H H 15 8.161 8.161 7.654 0.507 25434 2067 1 6 . 1 1 16 16 SER N N 16 116.885 116.885 113.230 3.655 25434 2068 1 6 . 1 1 16 16 SER HA H 16 4.294 4.294 4.445 -0.151 25434 2069 1 6 . 1 1 16 16 SER CA C 16 61.011 61.011 59.420 1.591 25434 2070 1 6 . 1 1 16 16 SER CB C 16 63.004 63.004 63.225 -0.221 25434 2071 1 6 . 1 1 16 16 SER H H 16 8.139 8.139 7.853 0.286 25434 2072 1 6 . 1 1 17 17 THR N N 17 110.397 110.397 111.931 -1.534 25434 2073 1 6 . 1 1 17 17 THR HA H 17 4.558 4.558 4.429 0.129 25434 2074 1 6 . 1 1 17 17 THR CA C 17 61.987 61.987 61.866 0.121 25434 2075 1 6 . 1 1 17 17 THR CB C 17 70.459 70.459 69.482 0.977 25434 2076 1 6 . 1 1 17 17 THR H H 17 7.549 7.549 7.609 -0.060 25434 2077 1 6 . 1 1 18 18 TYR N N 18 120.956 120.956 121.467 -0.511 25434 2078 1 6 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.691 0.477 25434 2079 1 6 . 1 1 18 18 TYR CA C 18 54.823 54.823 55.523 -0.700 25434 2080 1 6 . 1 1 18 18 TYR CB C 18 37.740 37.740 40.080 -2.340 25434 2081 1 6 . 1 1 18 18 TYR H H 18 7.365 7.365 7.569 -0.204 25434 2082 1 6 . 1 1 19 19 GLN N N 19 119.670 119.670 119.716 -0.046 25434 2083 1 6 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.780 0.272 25434 2084 1 6 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.392 -0.006 25434 2085 1 6 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.622 0.825 25434 2086 1 6 . 1 1 19 19 GLN H H 19 9.372 9.372 8.886 0.486 25434 2087 1 6 . 1 1 20 20 TYR N N 20 126.395 126.395 128.586 -2.191 25434 2088 1 6 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.502 -0.400 25434 2089 1 6 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.737 -0.363 25434 2090 1 6 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.088 -0.062 25434 2091 1 6 . 1 1 20 20 TYR H H 20 9.433 9.433 9.103 0.330 25434 2092 1 6 . 1 1 21 21 ASP N N 21 128.962 128.962 127.157 1.805 25434 2093 1 6 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.854 0.026 25434 2094 1 6 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.456 -0.123 25434 2095 1 6 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.678 -0.346 25434 2096 1 6 . 1 1 21 21 ASP H H 21 8.128 8.128 8.184 -0.056 25434 2097 1 6 . 1 1 22 22 GLU N N 22 124.636 124.636 125.222 -0.586 25434 2098 1 6 . 1 1 22 22 GLU HA H 22 3.798 3.798 4.018 -0.220 25434 2099 1 6 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.589 0.044 25434 2100 1 6 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.197 0.515 25434 2101 1 6 . 1 1 22 22 GLU H H 22 8.768 8.768 8.893 -0.125 25434 2102 1 6 . 1 1 23 23 THR N N 23 112.402 112.402 113.634 -1.232 25434 2103 1 6 . 1 1 23 23 THR HA H 23 4.045 4.045 4.065 -0.020 25434 2104 1 6 . 1 1 23 23 THR CA C 23 65.526 65.526 64.575 0.951 25434 2105 1 6 . 1 1 23 23 THR CB C 23 68.434 68.434 69.139 -0.705 25434 2106 1 6 . 1 1 23 23 THR H H 23 8.031 8.031 7.966 0.065 25434 2107 1 6 . 1 1 24 24 SER N N 24 113.712 113.712 113.088 0.624 25434 2108 1 6 . 1 1 24 24 SER HA H 24 4.327 4.327 4.454 -0.127 25434 2109 1 6 . 1 1 24 24 SER CA C 24 59.046 59.046 58.158 0.888 25434 2110 1 6 . 1 1 24 24 SER CB C 24 65.024 65.024 65.822 -0.798 25434 2111 1 6 . 1 1 24 24 SER H H 24 7.503 7.503 7.434 0.069 25434 2112 1 6 . 1 1 25 25 GLY N N 25 111.227 111.227 109.525 1.702 25434 2113 1 6 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.548 0.079 25434 2114 1 6 . 1 1 25 25 GLY H H 25 8.304 8.304 8.117 0.187 25434 2115 1 6 . 1 1 26 26 TYR N N 26 117.907 117.907 118.836 -0.929 25434 2116 1 6 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.587 0.800 25434 2117 1 6 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.475 -2.469 25434 2118 1 6 . 1 1 26 26 TYR CB C 26 40.743 40.743 40.281 0.462 25434 2119 1 6 . 1 1 26 26 TYR H H 26 7.951 7.951 7.173 0.778 25434 2120 1 6 . 1 1 27 27 TYR N N 27 116.474 116.474 117.099 -0.625 25434 2121 1 6 . 1 1 27 27 TYR HA H 27 5.358 5.358 4.912 0.446 25434 2122 1 6 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.592 0.652 25434 2123 1 6 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.393 1.019 25434 2124 1 6 . 1 1 27 27 TYR H H 27 9.253 9.253 9.139 0.114 25434 2125 1 6 . 1 1 28 28 TYR N N 28 122.756 122.756 123.949 -1.193 25434 2126 1 6 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.433 0.345 25434 2127 1 6 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.671 1.312 25434 2128 1 6 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.556 0.439 25434 2129 1 6 . 1 1 28 28 TYR H H 28 9.686 9.686 9.241 0.445 25434 2130 1 6 . 1 1 29 29 ASP N N 29 125.994 125.994 126.199 -0.205 25434 2131 1 6 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.146 0.606 25434 2132 1 6 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.309 -0.108 25434 2133 1 6 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.290 0.875 25434 2134 1 6 . 1 1 29 29 ASP H H 29 7.954 7.954 8.051 -0.097 25434 2135 1 6 . 1 1 30 30 PRO HA H 30 4.070 4.070 4.080 -0.010 25434 2136 1 6 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.162 -0.554 25434 2137 1 6 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.907 0.685 25434 2138 1 6 . 1 1 31 31 GLN N N 31 115.244 115.244 116.768 -1.524 25434 2139 1 6 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.206 0.026 25434 2140 1 6 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.694 0.823 25434 2141 1 6 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.047 0.258 25434 2142 1 6 . 1 1 31 31 GLN H H 31 7.989 7.989 8.475 -0.486 25434 2143 1 6 . 1 1 32 32 THR N N 32 104.641 104.641 107.414 -2.773 25434 2144 1 6 . 1 1 32 32 THR HA H 32 4.332 4.332 4.499 -0.167 25434 2145 1 6 . 1 1 32 32 THR CA C 32 61.768 61.768 62.059 -0.291 25434 2146 1 6 . 1 1 32 32 THR CB C 32 71.212 71.212 72.126 -0.914 25434 2147 1 6 . 1 1 32 32 THR H H 32 6.765 6.765 7.559 -0.794 25434 2148 1 6 . 1 1 33 33 GLY N N 33 111.318 111.318 111.583 -0.265 25434 2149 1 6 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.095 0.432 25434 2150 1 6 . 1 1 33 33 GLY H H 33 8.439 8.439 8.168 0.271 25434 2151 1 6 . 1 1 34 34 LEU N N 34 118.537 118.537 117.115 1.422 25434 2152 1 6 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.992 -0.391 25434 2153 1 6 . 1 1 34 34 LEU CA C 34 54.021 54.021 53.062 0.959 25434 2154 1 6 . 1 1 34 34 LEU CB C 34 44.529 44.529 45.434 -0.905 25434 2155 1 6 . 1 1 34 34 LEU H H 34 7.422 7.422 6.975 0.447 25434 2156 1 6 . 1 1 35 35 TYR N N 35 116.166 116.166 116.683 -0.517 25434 2157 1 6 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.572 -0.050 25434 2158 1 6 . 1 1 35 35 TYR CA C 35 57.246 57.246 56.904 0.341 25434 2159 1 6 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.448 -1.572 25434 2160 1 6 . 1 1 35 35 TYR H H 35 8.692 8.692 8.946 -0.254 25434 2161 1 6 . 1 1 36 36 TYR N N 36 121.442 121.442 120.224 1.218 25434 2162 1 6 . 1 1 36 36 TYR HA H 36 4.956 4.956 5.008 -0.052 25434 2163 1 6 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.461 0.516 25434 2164 1 6 . 1 1 36 36 TYR CB C 36 42.714 42.714 43.018 -0.304 25434 2165 1 6 . 1 1 36 36 TYR H H 36 9.745 9.745 9.535 0.210 25434 2166 1 6 . 1 1 37 37 ASP N N 37 127.129 127.129 122.229 4.900 25434 2167 1 6 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.794 0.447 25434 2168 1 6 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.458 -0.175 25434 2169 1 6 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.105 -1.246 25434 2170 1 6 . 1 1 37 37 ASP H H 37 8.029 8.029 7.414 0.615 25434 2171 1 6 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.455 -0.376 25434 2172 1 6 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.307 -0.578 25434 2173 1 6 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.503 -0.015 25434 2174 1 6 . 1 1 39 39 ASN N N 39 115.838 115.838 116.656 -0.818 25434 2175 1 6 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.683 -0.005 25434 2176 1 6 . 1 1 39 39 ASN CA C 39 55.719 55.719 53.938 1.781 25434 2177 1 6 . 1 1 39 39 ASN CB C 39 38.987 38.987 40.230 -1.244 25434 2178 1 6 . 1 1 39 39 ASN H H 39 8.232 8.232 8.657 -0.425 25434 2179 1 6 . 1 1 40 40 SER N N 40 112.476 112.476 115.261 -2.785 25434 2180 1 6 . 1 1 40 40 SER HA H 40 4.346 4.346 4.692 -0.346 25434 2181 1 6 . 1 1 40 40 SER CA C 40 58.832 58.832 56.796 2.036 25434 2182 1 6 . 1 1 40 40 SER CB C 40 64.576 64.576 63.951 0.625 25434 2183 1 6 . 1 1 40 40 SER H H 40 7.371 7.371 8.203 -0.832 25434 2184 1 6 . 1 1 41 41 GLN N N 41 114.329 114.329 123.087 -8.758 25434 2185 1 6 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.880 -0.100 25434 2186 1 6 . 1 1 41 41 GLN CA C 41 58.162 58.162 57.111 1.052 25434 2187 1 6 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.684 -2.707 25434 2188 1 6 . 1 1 41 41 GLN H H 41 8.203 8.203 8.655 -0.452 25434 2189 1 6 . 1 1 42 42 TYR N N 42 115.202 115.202 115.528 -0.326 25434 2190 1 6 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.707 0.814 25434 2191 1 6 . 1 1 42 42 TYR CA C 42 56.636 56.636 58.709 -2.074 25434 2192 1 6 . 1 1 42 42 TYR CB C 42 40.381 40.381 38.938 1.444 25434 2193 1 6 . 1 1 42 42 TYR H H 42 7.621 7.621 7.395 0.226 25434 2194 1 6 . 1 1 43 43 TYR N N 43 118.608 118.608 119.117 -0.509 25434 2195 1 6 . 1 1 43 43 TYR HA H 43 5.695 5.695 5.154 0.541 25434 2196 1 6 . 1 1 43 43 TYR CA C 43 57.321 57.321 57.099 0.222 25434 2197 1 6 . 1 1 43 43 TYR CB C 43 41.858 41.858 40.613 1.245 25434 2198 1 6 . 1 1 43 43 TYR H H 43 9.724 9.724 9.491 0.233 25434 2199 1 6 . 1 1 44 44 TYR N N 44 121.727 121.727 126.822 -5.095 25434 2200 1 6 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.801 0.381 25434 2201 1 6 . 1 1 44 44 TYR CA C 44 56.548 56.548 57.061 -0.513 25434 2202 1 6 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.544 2.720 25434 2203 1 6 . 1 1 44 44 TYR H H 44 9.594 9.594 9.182 0.412 25434 2204 1 6 . 1 1 45 45 ASN N N 45 125.423 125.423 127.351 -1.928 25434 2205 1 6 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.826 0.179 25434 2206 1 6 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.517 0.402 25434 2207 1 6 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.604 0.667 25434 2208 1 6 . 1 1 45 45 ASN H H 45 8.244 8.244 8.607 -0.363 25434 2209 1 6 . 1 1 46 46 ALA N N 46 126.039 126.039 127.291 -1.252 25434 2210 1 6 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.490 0.287 25434 2211 1 6 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.802 -1.029 25434 2212 1 6 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.454 0.701 25434 2213 1 6 . 1 1 46 46 ALA H H 46 8.974 8.974 8.333 0.641 25434 2214 1 6 . 1 1 47 47 GLN N N 47 116.850 116.850 118.592 -1.742 25434 2215 1 6 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.093 0.201 25434 2216 1 6 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.321 0.307 25434 2217 1 6 . 1 1 47 47 GLN CB C 47 28.523 28.523 29.023 -0.499 25434 2218 1 6 . 1 1 47 47 GLN H H 47 8.349 8.349 8.578 -0.229 25434 2219 1 6 . 1 1 48 48 SER N N 48 111.872 111.872 111.844 0.028 25434 2220 1 6 . 1 1 48 48 SER HA H 48 4.474 4.474 4.711 -0.237 25434 2221 1 6 . 1 1 48 48 SER CA C 48 57.580 57.580 57.922 -0.342 25434 2222 1 6 . 1 1 48 48 SER CB C 48 64.262 64.262 64.197 0.065 25434 2223 1 6 . 1 1 48 48 SER H H 48 7.544 7.544 7.511 0.033 25434 2224 1 6 . 1 1 49 49 GLN N N 49 118.063 118.063 116.249 1.814 25434 2225 1 6 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.615 0.106 25434 2226 1 6 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.273 -0.098 25434 2227 1 6 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.381 -0.448 25434 2228 1 6 . 1 1 49 49 GLN H H 49 7.969 7.969 7.903 0.066 25434 2229 1 6 . 1 1 50 50 GLN N N 50 116.254 116.254 117.709 -1.455 25434 2230 1 6 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.667 0.152 25434 2231 1 6 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.839 -0.338 25434 2232 1 6 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.642 1.768 25434 2233 1 6 . 1 1 50 50 GLN H H 50 7.180 7.180 7.404 -0.224 25434 2234 1 6 . 1 1 51 51 TYR N N 51 121.463 121.463 119.456 2.007 25434 2235 1 6 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.673 0.007 25434 2236 1 6 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.003 1.167 25434 2237 1 6 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.537 -0.471 25434 2238 1 6 . 1 1 51 51 TYR H H 51 8.931 8.931 8.865 0.066 25434 2239 1 6 . 1 1 52 52 LEU N N 52 122.429 122.429 122.166 0.263 25434 2240 1 6 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.623 -0.075 25434 2241 1 6 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.295 1.138 25434 2242 1 6 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.444 1.605 25434 2243 1 6 . 1 1 52 52 LEU H H 52 9.726 9.726 9.387 0.339 25434 2244 1 6 . 1 1 53 53 TYR N N 53 117.639 117.639 114.266 3.373 25434 2245 1 6 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.455 0.422 25434 2246 1 6 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.872 -0.155 25434 2247 1 6 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.404 0.723 25434 2248 1 6 . 1 1 53 53 TYR H H 53 9.533 9.533 8.918 0.615 25434 2249 1 6 . 1 1 54 54 TRP N N 54 122.206 122.206 124.456 -2.250 25434 2250 1 6 . 1 1 54 54 TRP HA H 54 4.506 4.506 3.908 0.598 25434 2251 1 6 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.928 -0.115 25434 2252 1 6 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.240 0.108 25434 2253 1 6 . 1 1 54 54 TRP H H 54 9.253 9.253 9.239 0.014 25434 2254 1 6 . 1 1 55 55 ASP N N 55 128.978 128.978 128.492 0.486 25434 2255 1 6 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.580 0.115 25434 2256 1 6 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.284 -0.401 25434 2257 1 6 . 1 1 55 55 ASP CB C 55 42.843 42.843 40.972 1.871 25434 2258 1 6 . 1 1 55 55 ASP H H 55 8.031 8.031 7.957 0.074 25434 2259 1 6 . 1 1 56 56 GLY N N 56 111.521 111.521 110.552 0.969 25434 2260 1 6 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.555 0.220 25434 2261 1 6 . 1 1 56 56 GLY H H 56 8.548 8.548 8.136 0.412 25434 2262 1 6 . 1 1 57 57 GLU N N 57 120.202 120.202 119.533 0.669 25434 2263 1 6 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.083 0.210 25434 2264 1 6 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.058 0.260 25434 2265 1 6 . 1 1 57 57 GLU CB C 57 29.883 29.883 28.946 0.937 25434 2266 1 6 . 1 1 57 57 GLU H H 57 8.188 8.188 8.040 0.148 25434 2267 1 6 . 1 1 58 58 ARG N N 58 116.912 116.912 115.531 1.381 25434 2268 1 6 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.504 -0.373 25434 2269 1 6 . 1 1 58 58 ARG CA C 58 56.442 56.442 54.952 1.490 25434 2270 1 6 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.588 0.299 25434 2271 1 6 . 1 1 58 58 ARG H H 58 7.636 7.636 7.305 0.331 25434 2272 1 6 . 1 1 59 59 ARG N N 59 116.563 116.563 117.926 -1.363 25434 2273 1 6 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.430 -0.193 25434 2274 1 6 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.968 -0.236 25434 2275 1 6 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.418 -0.784 25434 2276 1 6 . 1 1 59 59 ARG H H 59 7.878 7.878 7.630 0.248 25434 2277 1 6 . 1 1 60 60 THR N N 60 109.170 109.170 110.008 -0.838 25434 2278 1 6 . 1 1 60 60 THR HA H 60 4.516 4.516 4.693 -0.177 25434 2279 1 6 . 1 1 60 60 THR CA C 60 60.050 60.050 59.625 0.425 25434 2280 1 6 . 1 1 60 60 THR CB C 60 69.758 69.758 71.246 -1.488 25434 2281 1 6 . 1 1 60 60 THR H H 60 6.591 6.591 6.941 -0.350 25434 2282 1 6 . 1 1 61 61 TYR N N 61 120.491 120.491 120.849 -0.358 25434 2283 1 6 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.231 -0.156 25434 2284 1 6 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.615 0.777 25434 2285 1 6 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.836 0.545 25434 2286 1 6 . 1 1 61 61 TYR H H 61 7.474 7.474 8.030 -0.556 25434 2287 1 6 . 1 1 62 62 VAL N N 62 123.115 123.115 118.479 4.636 25434 2288 1 6 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.660 -0.016 25434 2289 1 6 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.907 0.703 25434 2290 1 6 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.333 0.085 25434 2291 1 6 . 1 1 62 62 VAL H H 62 9.176 9.176 8.276 0.900 25434 2292 1 6 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.780 -0.016 25434 2293 1 6 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.358 1.283 25434 2294 1 6 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.499 1.059 25434 2295 1 6 . 1 1 64 64 ALA N N 64 126.032 126.032 128.832 -2.800 25434 2296 1 6 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.521 0.124 25434 2297 1 6 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.136 -0.010 25434 2298 1 6 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.969 0.783 25434 2299 1 6 . 1 1 64 64 ALA H H 64 8.708 8.708 8.559 0.149 25434 2300 1 6 . 1 1 65 65 LEU N N 65 120.884 120.884 120.910 -0.026 25434 2301 1 6 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.109 0.382 25434 2302 1 6 . 1 1 65 65 LEU CA C 65 55.656 55.656 56.050 -0.395 25434 2303 1 6 . 1 1 65 65 LEU CB C 65 42.638 42.638 40.246 2.392 25434 2304 1 6 . 1 1 65 65 LEU H H 65 8.469 8.469 7.327 1.142 25434 2305 1 6 . 1 1 66 66 GLU N N 66 115.912 115.912 124.089 -8.177 25434 2306 1 6 . 1 1 66 66 GLU HA H 66 4.546 4.546 3.728 0.818 25434 2307 1 6 . 1 1 66 66 GLU CA C 66 55.780 55.780 58.587 -2.807 25434 2308 1 6 . 1 1 66 66 GLU CB C 66 33.027 33.027 28.824 4.203 25434 2309 1 6 . 1 1 66 66 GLU H H 66 8.328 8.328 8.881 -0.553 25434 2310 1 6 . 1 1 67 67 GLN N N 67 120.380 120.380 118.190 2.190 25434 2311 1 6 . 1 1 67 67 GLN HA H 67 4.482 4.482 3.977 0.505 25434 2312 1 6 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.979 -1.208 25434 2313 1 6 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.232 2.508 25434 2314 1 6 . 1 1 67 67 GLN H H 67 8.478 8.478 8.331 0.147 25434 2315 1 6 . 1 1 68 68 SER N N 68 116.287 116.287 110.409 5.878 25434 2316 1 6 . 1 1 68 68 SER HA H 68 4.575 4.575 4.477 0.098 25434 2317 1 6 . 1 1 68 68 SER CA C 68 58.309 58.309 58.394 -0.085 25434 2318 1 6 . 1 1 68 68 SER CB C 68 64.119 64.119 63.797 0.322 25434 2319 1 6 . 1 1 68 68 SER H H 68 8.370 8.370 8.549 -0.179 25434 2320 1 6 . 1 1 69 69 ALA N N 69 125.968 125.968 123.041 2.927 25434 2321 1 6 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.471 -0.028 25434 2322 1 6 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.086 0.896 25434 2323 1 6 . 1 1 69 69 ALA CB C 69 19.365 19.365 20.317 -0.952 25434 2324 1 6 . 1 1 69 69 ALA H H 69 8.533 8.533 7.577 0.956 25434 2325 1 6 . 1 1 70 70 ASP N N 70 118.262 118.262 120.365 -2.103 25434 2326 1 6 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.499 0.183 25434 2327 1 6 . 1 1 70 70 ASP CA C 70 54.469 54.469 55.490 -1.021 25434 2328 1 6 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.106 0.273 25434 2329 1 6 . 1 1 70 70 ASP H H 70 8.300 8.300 8.735 -0.435 25434 2330 1 6 . 1 1 71 71 GLY N N 71 108.495 108.495 106.817 1.678 25434 2331 1 6 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.892 0.930 25434 2332 1 6 . 1 1 71 71 GLY H H 71 8.291 8.291 8.217 0.074 25434 2333 1 6 . 1 1 72 72 HIS N N 72 118.240 118.240 118.632 -0.392 25434 2334 1 6 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.275 0.492 25434 2335 1 6 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.533 -0.687 25434 2336 1 6 . 1 1 72 72 HIS CB C 72 29.363 29.363 29.619 -0.256 25434 2337 1 6 . 1 1 72 72 HIS H H 72 8.354 8.354 8.481 -0.127 25434 2338 1 6 . 1 1 73 73 LYS N N 73 121.591 121.591 116.040 5.551 25434 2339 1 6 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.523 -0.080 25434 2340 1 6 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.398 1.203 25434 2341 1 6 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.710 -0.577 25434 2342 1 6 . 1 1 73 73 LYS H H 73 8.457 8.457 7.683 0.774 25434 2343 1 6 . 1 1 74 74 GLU N N 74 122.169 122.169 122.843 -0.674 25434 2344 1 6 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.453 0.041 25434 2345 1 6 . 1 1 74 74 GLU CA C 74 56.565 56.565 55.907 0.658 25434 2346 1 6 . 1 1 74 74 GLU CB C 74 30.327 30.327 29.119 1.208 25434 2347 1 6 . 1 1 74 74 GLU H H 74 8.669 8.669 8.631 0.038 25434 2348 1 6 . 1 1 75 75 THR N N 75 114.560 114.560 118.312 -3.752 25434 2349 1 6 . 1 1 75 75 THR HA H 75 4.463 4.463 3.750 0.713 25434 2350 1 6 . 1 1 75 75 THR CA C 75 61.998 61.998 65.510 -3.512 25434 2351 1 6 . 1 1 75 75 THR CB C 75 69.901 69.901 67.986 1.915 25434 2352 1 6 . 1 1 75 75 THR H H 75 8.313 8.313 8.847 -0.534 25434 2353 1 6 . 1 1 76 76 GLY N N 76 110.986 110.986 107.401 3.585 25434 2354 1 6 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.126 0.268 25434 2355 1 6 . 1 1 76 76 GLY H H 76 8.493 8.493 8.176 0.317 25434 2356 1 6 . 1 1 77 77 ALA N N 77 123.316 123.316 123.152 0.164 25434 2357 1 6 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.262 0.372 25434 2358 1 6 . 1 1 77 77 ALA CA C 77 50.611 50.611 51.652 -1.041 25434 2359 1 6 . 1 1 77 77 ALA CB C 77 18.471 18.471 17.645 0.826 25434 2360 1 6 . 1 1 77 77 ALA H H 77 8.025 8.025 7.766 0.259 25434 2361 1 6 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.471 0.257 25434 2362 1 6 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.409 -0.440 25434 2363 1 6 . 1 1 79 79 SER N N 79 116.876 116.876 116.595 0.281 25434 2364 1 6 . 1 1 79 79 SER HA H 79 4.543 4.543 4.309 0.234 25434 2365 1 6 . 1 1 79 79 SER CA C 79 58.548 58.548 57.951 0.597 25434 2366 1 6 . 1 1 79 79 SER CB C 79 63.972 63.972 63.678 0.294 25434 2367 1 6 . 1 1 79 79 SER H H 79 8.627 8.627 7.735 0.892 25434 2368 1 6 . 1 1 80 80 LYS N N 80 122.282 122.282 119.005 3.277 25434 2369 1 6 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.039 0.358 25434 2370 1 6 . 1 1 80 80 LYS CA C 80 56.628 56.628 57.088 -0.460 25434 2371 1 6 . 1 1 80 80 LYS CB C 80 33.268 33.268 31.868 1.400 25434 2372 1 6 . 1 1 80 80 LYS H H 80 8.359 8.359 8.688 -0.329 25434 2373 1 6 . 1 1 81 81 GLU N N 81 121.390 121.390 115.543 5.847 25434 2374 1 6 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.128 0.259 25434 2375 1 6 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.691 0.082 25434 2376 1 6 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.388 1.986 25434 2377 1 6 . 1 1 81 81 GLU H H 81 8.521 8.521 8.549 -0.028 25434 2378 1 6 . 1 1 82 82 GLY N N 82 109.657 109.657 108.116 1.541 25434 2379 1 6 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.893 -0.160 25434 2380 1 6 . 1 1 82 82 GLY H H 82 8.491 8.491 8.571 -0.080 25434 2381 1 6 . 1 1 83 83 LYS N N 83 120.424 120.424 120.189 0.235 25434 2382 1 6 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.637 -0.242 25434 2383 1 6 . 1 1 83 83 LYS CA C 83 56.900 56.900 56.813 0.087 25434 2384 1 6 . 1 1 83 83 LYS CB C 83 33.222 33.222 33.773 -0.551 25434 2385 1 6 . 1 1 83 83 LYS H H 83 8.237 8.237 8.060 0.177 25434 2386 1 6 . 1 1 84 84 GLU N N 84 120.758 120.758 119.649 1.109 25434 2387 1 6 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.142 0.236 25434 2388 1 6 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.766 -2.031 25434 2389 1 6 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.429 1.173 25434 2390 1 6 . 1 1 84 84 GLU H H 84 8.571 8.571 8.639 -0.068 25434 2391 1 6 . 1 1 85 85 LYS N N 85 122.155 122.155 116.705 5.450 25434 2392 1 6 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.435 -0.024 25434 2393 1 6 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.414 0.907 25434 2394 1 6 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.779 0.414 25434 2395 1 6 . 1 1 85 85 LYS H H 85 8.558 8.558 8.061 0.497 25434 2396 1 6 . 1 1 86 86 LYS N N 86 122.185 122.185 118.454 3.731 25434 2397 1 6 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.962 0.410 25434 2398 1 6 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.700 -1.031 25434 2399 1 6 . 1 1 86 86 LYS CB C 86 33.268 33.268 31.569 1.699 25434 2400 1 6 . 1 1 86 86 LYS H H 86 8.397 8.397 7.780 0.617 25434 2401 1 6 . 1 1 87 87 GLU N N 87 124.443 124.443 121.476 2.967 25434 2402 1 6 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.364 0.160 25434 2403 1 6 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.659 0.598 25434 2404 1 6 . 1 1 87 87 GLU CB C 87 33.559 33.559 30.435 3.124 25434 2405 1 6 . 1 1 87 87 GLU H H 87 8.175 8.175 8.817 -0.642 25434 2406 1 6 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.636 0.151 25434 2407 1 6 . 1 1 89 89 HIS CA C 89 55.754 55.754 57.694 -1.940 25434 2408 1 6 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.408 -0.081 25434 2409 1 6 . 1 1 90 90 LYS N N 90 122.178 122.178 118.637 3.541 25434 2410 1 6 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.350 0.047 25434 2411 1 6 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.445 0.152 25434 2412 1 6 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.569 -0.346 25434 2413 1 6 . 1 1 90 90 LYS H H 90 8.335 8.335 8.507 -0.172 25434 2414 1 6 . 1 1 91 91 THR N N 91 121.268 121.268 115.230 6.038 25434 2415 1 6 . 1 1 91 91 THR HA H 91 4.453 4.453 4.110 0.343 25434 2416 1 6 . 1 1 91 91 THR CA C 91 61.956 61.956 63.667 -1.712 25434 2417 1 6 . 1 1 91 91 THR CB C 91 69.916 69.916 68.164 1.752 25434 2418 1 6 . 1 1 91 91 THR H H 91 8.047 8.047 8.232 -0.185 25434 2419 1 7 . 1 1 5 5 GLU N N 5 123.289 123.289 125.837 -2.548 25434 2420 1 7 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.116 0.418 25434 2421 1 7 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.911 6.329 25434 2422 1 7 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.077 2.148 25434 2423 1 7 . 1 1 5 5 GLU H H 5 8.538 8.538 8.841 -0.303 25434 2424 1 7 . 1 1 6 6 SER N N 6 115.506 115.506 114.655 0.851 25434 2425 1 7 . 1 1 6 6 SER HA H 6 4.552 4.552 3.620 0.932 25434 2426 1 7 . 1 1 6 6 SER CA C 6 58.231 58.231 57.851 0.380 25434 2427 1 7 . 1 1 6 6 SER CB C 6 64.028 64.028 61.457 2.571 25434 2428 1 7 . 1 1 6 6 SER H H 6 8.435 8.435 8.381 0.054 25434 2429 1 7 . 1 1 7 7 TYR N N 7 121.104 121.104 115.545 5.559 25434 2430 1 7 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.169 0.573 25434 2431 1 7 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.139 -0.528 25434 2432 1 7 . 1 1 7 7 TYR CB C 7 39.176 39.176 36.932 2.244 25434 2433 1 7 . 1 1 7 7 TYR H H 7 8.137 8.137 7.913 0.224 25434 2434 1 7 . 1 1 8 8 SER N N 8 116.875 116.875 118.036 -1.161 25434 2435 1 7 . 1 1 8 8 SER HA H 8 4.539 4.539 4.740 -0.201 25434 2436 1 7 . 1 1 8 8 SER CA C 8 58.327 58.327 58.158 0.168 25434 2437 1 7 . 1 1 8 8 SER CB C 8 63.958 63.958 63.642 0.316 25434 2438 1 7 . 1 1 8 8 SER H H 8 8.364 8.364 8.032 0.332 25434 2439 1 7 . 1 1 9 9 GLN N N 9 120.999 120.999 120.940 0.059 25434 2440 1 7 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.573 -0.130 25434 2441 1 7 . 1 1 9 9 GLN CA C 9 56.678 56.678 54.693 1.985 25434 2442 1 7 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.793 0.579 25434 2443 1 7 . 1 1 9 9 GLN H H 9 8.414 8.414 8.136 0.278 25434 2444 1 7 . 1 1 10 10 TYR N N 10 121.815 121.815 121.145 0.670 25434 2445 1 7 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.844 0.130 25434 2446 1 7 . 1 1 10 10 TYR CA C 10 56.383 56.383 57.015 -0.632 25434 2447 1 7 . 1 1 10 10 TYR CB C 10 40.009 40.009 38.114 1.895 25434 2448 1 7 . 1 1 10 10 TYR H H 10 8.549 8.549 8.803 -0.254 25434 2449 1 7 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.486 0.130 25434 2450 1 7 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.483 -0.484 25434 2451 1 7 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.444 -0.241 25434 2452 1 7 . 1 1 12 12 VAL N N 12 120.450 120.450 119.312 1.138 25434 2453 1 7 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.071 -0.271 25434 2454 1 7 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.612 0.845 25434 2455 1 7 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.199 1.052 25434 2456 1 7 . 1 1 12 12 VAL H H 12 8.074 8.074 8.353 -0.279 25434 2457 1 7 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.448 -0.430 25434 2458 1 7 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.500 0.680 25434 2459 1 7 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.792 -0.160 25434 2460 1 7 . 1 1 14 14 ASP N N 14 120.579 120.579 119.846 0.733 25434 2461 1 7 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.596 0.116 25434 2462 1 7 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.973 -0.899 25434 2463 1 7 . 1 1 14 14 ASP CB C 14 41.050 41.050 44.041 -2.991 25434 2464 1 7 . 1 1 14 14 ASP H H 14 8.148 8.148 8.159 -0.011 25434 2465 1 7 . 1 1 15 15 VAL N N 15 120.884 120.884 125.834 -4.950 25434 2466 1 7 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.914 0.256 25434 2467 1 7 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.952 -1.183 25434 2468 1 7 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.089 -0.192 25434 2469 1 7 . 1 1 15 15 VAL H H 15 8.161 8.161 8.380 -0.219 25434 2470 1 7 . 1 1 16 16 SER N N 16 116.885 116.885 114.598 2.287 25434 2471 1 7 . 1 1 16 16 SER HA H 16 4.294 4.294 4.152 0.142 25434 2472 1 7 . 1 1 16 16 SER CA C 16 61.011 61.011 60.275 0.736 25434 2473 1 7 . 1 1 16 16 SER CB C 16 63.004 63.004 62.944 0.060 25434 2474 1 7 . 1 1 16 16 SER H H 16 8.139 8.139 8.596 -0.457 25434 2475 1 7 . 1 1 17 17 THR N N 17 110.397 110.397 110.990 -0.593 25434 2476 1 7 . 1 1 17 17 THR HA H 17 4.558 4.558 4.467 0.091 25434 2477 1 7 . 1 1 17 17 THR CA C 17 61.987 61.987 61.513 0.474 25434 2478 1 7 . 1 1 17 17 THR CB C 17 70.459 70.459 69.844 0.615 25434 2479 1 7 . 1 1 17 17 THR H H 17 7.549 7.549 7.484 0.065 25434 2480 1 7 . 1 1 18 18 TYR N N 18 120.956 120.956 122.271 -1.315 25434 2481 1 7 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.545 0.623 25434 2482 1 7 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.681 -1.858 25434 2483 1 7 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.415 -1.675 25434 2484 1 7 . 1 1 18 18 TYR H H 18 7.365 7.365 7.581 -0.216 25434 2485 1 7 . 1 1 19 19 GLN N N 19 119.670 119.670 119.703 -0.033 25434 2486 1 7 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.724 0.328 25434 2487 1 7 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.310 0.076 25434 2488 1 7 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.639 0.808 25434 2489 1 7 . 1 1 19 19 GLN H H 19 9.372 9.372 8.934 0.438 25434 2490 1 7 . 1 1 20 20 TYR N N 20 126.395 126.395 128.549 -2.154 25434 2491 1 7 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.263 -0.161 25434 2492 1 7 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.590 -0.216 25434 2493 1 7 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.898 0.128 25434 2494 1 7 . 1 1 20 20 TYR H H 20 9.433 9.433 9.096 0.337 25434 2495 1 7 . 1 1 21 21 ASP N N 21 128.962 128.962 127.575 1.387 25434 2496 1 7 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.889 -0.009 25434 2497 1 7 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.355 -0.022 25434 2498 1 7 . 1 1 21 21 ASP CB C 21 42.332 42.332 40.111 2.221 25434 2499 1 7 . 1 1 21 21 ASP H H 21 8.128 8.128 8.286 -0.158 25434 2500 1 7 . 1 1 22 22 GLU N N 22 124.636 124.636 121.602 3.034 25434 2501 1 7 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.939 -0.141 25434 2502 1 7 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.612 0.021 25434 2503 1 7 . 1 1 22 22 GLU CB C 22 29.712 29.712 28.962 0.750 25434 2504 1 7 . 1 1 22 22 GLU H H 22 8.768 8.768 8.503 0.265 25434 2505 1 7 . 1 1 23 23 THR N N 23 112.402 112.402 114.553 -2.151 25434 2506 1 7 . 1 1 23 23 THR HA H 23 4.045 4.045 4.093 -0.048 25434 2507 1 7 . 1 1 23 23 THR CA C 23 65.526 65.526 64.225 1.301 25434 2508 1 7 . 1 1 23 23 THR CB C 23 68.434 68.434 69.191 -0.757 25434 2509 1 7 . 1 1 23 23 THR H H 23 8.031 8.031 7.916 0.115 25434 2510 1 7 . 1 1 24 24 SER N N 24 113.712 113.712 112.974 0.738 25434 2511 1 7 . 1 1 24 24 SER HA H 24 4.327 4.327 4.549 -0.222 25434 2512 1 7 . 1 1 24 24 SER CA C 24 59.046 59.046 58.303 0.743 25434 2513 1 7 . 1 1 24 24 SER CB C 24 65.024 65.024 66.061 -1.037 25434 2514 1 7 . 1 1 24 24 SER H H 24 7.503 7.503 8.293 -0.790 25434 2515 1 7 . 1 1 25 25 GLY N N 25 111.227 111.227 110.617 0.610 25434 2516 1 7 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.127 0.500 25434 2517 1 7 . 1 1 25 25 GLY H H 25 8.304 8.304 8.157 0.147 25434 2518 1 7 . 1 1 26 26 TYR N N 26 117.907 117.907 119.572 -1.665 25434 2519 1 7 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.707 0.680 25434 2520 1 7 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.860 -2.854 25434 2521 1 7 . 1 1 26 26 TYR CB C 26 40.743 40.743 40.497 0.246 25434 2522 1 7 . 1 1 26 26 TYR H H 26 7.951 7.951 7.209 0.742 25434 2523 1 7 . 1 1 27 27 TYR N N 27 116.474 116.474 116.712 -0.238 25434 2524 1 7 . 1 1 27 27 TYR HA H 27 5.358 5.358 4.984 0.374 25434 2525 1 7 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.688 0.555 25434 2526 1 7 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.498 0.914 25434 2527 1 7 . 1 1 27 27 TYR H H 27 9.253 9.253 9.391 -0.138 25434 2528 1 7 . 1 1 28 28 TYR N N 28 122.756 122.756 124.531 -1.775 25434 2529 1 7 . 1 1 28 28 TYR HA H 28 4.778 4.778 3.937 0.841 25434 2530 1 7 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.106 1.877 25434 2531 1 7 . 1 1 28 28 TYR CB C 28 41.995 41.995 40.711 1.284 25434 2532 1 7 . 1 1 28 28 TYR H H 28 9.686 9.686 9.440 0.246 25434 2533 1 7 . 1 1 29 29 ASP N N 29 125.994 125.994 126.908 -0.914 25434 2534 1 7 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.449 0.303 25434 2535 1 7 . 1 1 29 29 ASP CA C 29 49.202 49.202 50.457 -1.255 25434 2536 1 7 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.454 1.711 25434 2537 1 7 . 1 1 29 29 ASP H H 29 7.954 7.954 8.165 -0.211 25434 2538 1 7 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.924 0.146 25434 2539 1 7 . 1 1 30 30 PRO CA C 30 63.608 63.608 63.788 -0.179 25434 2540 1 7 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.630 0.962 25434 2541 1 7 . 1 1 31 31 GLN N N 31 115.244 115.244 117.027 -1.783 25434 2542 1 7 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.143 0.089 25434 2543 1 7 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.935 0.582 25434 2544 1 7 . 1 1 31 31 GLN CB C 31 29.305 29.305 28.139 1.166 25434 2545 1 7 . 1 1 31 31 GLN H H 31 7.989 7.989 8.265 -0.276 25434 2546 1 7 . 1 1 32 32 THR N N 32 104.641 104.641 107.192 -2.551 25434 2547 1 7 . 1 1 32 32 THR HA H 32 4.332 4.332 4.563 -0.231 25434 2548 1 7 . 1 1 32 32 THR CA C 32 61.768 61.768 62.300 -0.532 25434 2549 1 7 . 1 1 32 32 THR CB C 32 71.212 71.212 71.473 -0.261 25434 2550 1 7 . 1 1 32 32 THR H H 32 6.765 6.765 7.779 -1.014 25434 2551 1 7 . 1 1 33 33 GLY N N 33 111.318 111.318 110.795 0.523 25434 2552 1 7 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.487 0.040 25434 2553 1 7 . 1 1 33 33 GLY H H 33 8.439 8.439 8.279 0.160 25434 2554 1 7 . 1 1 34 34 LEU N N 34 118.537 118.537 118.577 -0.040 25434 2555 1 7 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.612 -0.011 25434 2556 1 7 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.545 -0.524 25434 2557 1 7 . 1 1 34 34 LEU CB C 34 44.529 44.529 42.966 1.563 25434 2558 1 7 . 1 1 34 34 LEU H H 34 7.422 7.422 7.179 0.243 25434 2559 1 7 . 1 1 35 35 TYR N N 35 116.166 116.166 115.162 1.004 25434 2560 1 7 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.089 0.433 25434 2561 1 7 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.525 -0.279 25434 2562 1 7 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.320 -1.444 25434 2563 1 7 . 1 1 35 35 TYR H H 35 8.692 8.692 8.729 -0.037 25434 2564 1 7 . 1 1 36 36 TYR N N 36 121.442 121.442 120.818 0.624 25434 2565 1 7 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.623 0.333 25434 2566 1 7 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.787 0.190 25434 2567 1 7 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.761 -0.047 25434 2568 1 7 . 1 1 36 36 TYR H H 36 9.745 9.745 9.558 0.187 25434 2569 1 7 . 1 1 37 37 ASP N N 37 127.129 127.129 120.671 6.458 25434 2570 1 7 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.055 0.186 25434 2571 1 7 . 1 1 37 37 ASP CA C 37 49.282 49.282 50.012 -0.730 25434 2572 1 7 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.397 -1.538 25434 2573 1 7 . 1 1 37 37 ASP H H 37 8.029 8.029 6.965 1.064 25434 2574 1 7 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.412 -0.333 25434 2575 1 7 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.600 -0.871 25434 2576 1 7 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.498 -0.010 25434 2577 1 7 . 1 1 39 39 ASN N N 39 115.838 115.838 116.983 -1.145 25434 2578 1 7 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.671 0.007 25434 2579 1 7 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.094 1.625 25434 2580 1 7 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.930 -0.943 25434 2581 1 7 . 1 1 39 39 ASN H H 39 8.232 8.232 8.929 -0.697 25434 2582 1 7 . 1 1 40 40 SER N N 40 112.476 112.476 116.838 -4.362 25434 2583 1 7 . 1 1 40 40 SER HA H 40 4.346 4.346 4.509 -0.163 25434 2584 1 7 . 1 1 40 40 SER CA C 40 58.832 58.832 57.086 1.746 25434 2585 1 7 . 1 1 40 40 SER CB C 40 64.576 64.576 63.546 1.030 25434 2586 1 7 . 1 1 40 40 SER H H 40 7.371 7.371 7.978 -0.607 25434 2587 1 7 . 1 1 41 41 GLN N N 41 114.329 114.329 121.876 -7.547 25434 2588 1 7 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.924 -0.144 25434 2589 1 7 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.585 1.577 25434 2590 1 7 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.833 -2.856 25434 2591 1 7 . 1 1 41 41 GLN H H 41 8.203 8.203 8.643 -0.440 25434 2592 1 7 . 1 1 42 42 TYR N N 42 115.202 115.202 118.300 -3.098 25434 2593 1 7 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.890 0.631 25434 2594 1 7 . 1 1 42 42 TYR CA C 42 56.636 56.636 56.777 -0.141 25434 2595 1 7 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.527 3.854 25434 2596 1 7 . 1 1 42 42 TYR H H 42 7.621 7.621 7.458 0.163 25434 2597 1 7 . 1 1 43 43 TYR N N 43 118.608 118.608 122.643 -4.035 25434 2598 1 7 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.606 1.089 25434 2599 1 7 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.665 -2.344 25434 2600 1 7 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.217 2.641 25434 2601 1 7 . 1 1 43 43 TYR H H 43 9.724 9.724 8.773 0.951 25434 2602 1 7 . 1 1 44 44 TYR N N 44 121.727 121.727 123.621 -1.894 25434 2603 1 7 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.581 0.601 25434 2604 1 7 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.241 0.307 25434 2605 1 7 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.956 2.307 25434 2606 1 7 . 1 1 44 44 TYR H H 44 9.594 9.594 9.487 0.107 25434 2607 1 7 . 1 1 45 45 ASN N N 45 125.423 125.423 127.201 -1.778 25434 2608 1 7 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.615 0.390 25434 2609 1 7 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.514 0.406 25434 2610 1 7 . 1 1 45 45 ASN CB C 45 39.271 39.271 37.796 1.475 25434 2611 1 7 . 1 1 45 45 ASN H H 45 8.244 8.244 8.472 -0.228 25434 2612 1 7 . 1 1 46 46 ALA N N 46 126.039 126.039 127.743 -1.704 25434 2613 1 7 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.466 0.311 25434 2614 1 7 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.788 -1.015 25434 2615 1 7 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.405 0.750 25434 2616 1 7 . 1 1 46 46 ALA H H 46 8.974 8.974 7.902 1.072 25434 2617 1 7 . 1 1 47 47 GLN N N 47 116.850 116.850 118.354 -1.504 25434 2618 1 7 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.034 0.260 25434 2619 1 7 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.292 0.336 25434 2620 1 7 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.975 -0.452 25434 2621 1 7 . 1 1 47 47 GLN H H 47 8.349 8.349 8.540 -0.191 25434 2622 1 7 . 1 1 48 48 SER N N 48 111.872 111.872 110.529 1.343 25434 2623 1 7 . 1 1 48 48 SER HA H 48 4.474 4.474 4.627 -0.153 25434 2624 1 7 . 1 1 48 48 SER CA C 48 57.580 57.580 58.000 -0.420 25434 2625 1 7 . 1 1 48 48 SER CB C 48 64.262 64.262 64.746 -0.484 25434 2626 1 7 . 1 1 48 48 SER H H 48 7.544 7.544 7.511 0.033 25434 2627 1 7 . 1 1 49 49 GLN N N 49 118.063 118.063 116.875 1.188 25434 2628 1 7 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.543 0.178 25434 2629 1 7 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.329 -0.154 25434 2630 1 7 . 1 1 49 49 GLN CB C 49 25.933 25.933 27.003 -1.070 25434 2631 1 7 . 1 1 49 49 GLN H H 49 7.969 7.969 7.669 0.300 25434 2632 1 7 . 1 1 50 50 GLN N N 50 116.254 116.254 116.193 0.061 25434 2633 1 7 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.416 0.403 25434 2634 1 7 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.818 -0.317 25434 2635 1 7 . 1 1 50 50 GLN CB C 50 33.410 33.410 30.073 3.337 25434 2636 1 7 . 1 1 50 50 GLN H H 50 7.180 7.180 7.150 0.030 25434 2637 1 7 . 1 1 51 51 TYR N N 51 121.463 121.463 119.418 2.045 25434 2638 1 7 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.579 0.101 25434 2639 1 7 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.280 0.890 25434 2640 1 7 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.940 -0.874 25434 2641 1 7 . 1 1 51 51 TYR H H 51 8.931 8.931 8.579 0.352 25434 2642 1 7 . 1 1 52 52 LEU N N 52 122.429 122.429 122.345 0.084 25434 2643 1 7 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.510 0.038 25434 2644 1 7 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.200 1.233 25434 2645 1 7 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.433 1.616 25434 2646 1 7 . 1 1 52 52 LEU H H 52 9.726 9.726 9.188 0.538 25434 2647 1 7 . 1 1 53 53 TYR N N 53 117.639 117.639 114.101 3.538 25434 2648 1 7 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.536 0.341 25434 2649 1 7 . 1 1 53 53 TYR CA C 53 55.717 55.717 56.030 -0.313 25434 2650 1 7 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.768 0.359 25434 2651 1 7 . 1 1 53 53 TYR H H 53 9.533 9.533 9.078 0.455 25434 2652 1 7 . 1 1 54 54 TRP N N 54 122.206 122.206 123.708 -1.502 25434 2653 1 7 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.892 -0.386 25434 2654 1 7 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.538 0.275 25434 2655 1 7 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.801 -0.453 25434 2656 1 7 . 1 1 54 54 TRP H H 54 9.253 9.253 9.337 -0.084 25434 2657 1 7 . 1 1 55 55 ASP N N 55 128.978 128.978 128.204 0.774 25434 2658 1 7 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.716 -0.021 25434 2659 1 7 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.619 -0.736 25434 2660 1 7 . 1 1 55 55 ASP CB C 55 42.843 42.843 42.482 0.361 25434 2661 1 7 . 1 1 55 55 ASP H H 55 8.031 8.031 7.551 0.480 25434 2662 1 7 . 1 1 56 56 GLY N N 56 111.521 111.521 111.605 -0.084 25434 2663 1 7 . 1 1 56 56 GLY CA C 56 46.775 46.775 45.989 0.786 25434 2664 1 7 . 1 1 56 56 GLY H H 56 8.548 8.548 8.580 -0.032 25434 2665 1 7 . 1 1 57 57 GLU N N 57 120.202 120.202 120.020 0.182 25434 2666 1 7 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.091 0.202 25434 2667 1 7 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.506 -0.188 25434 2668 1 7 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.102 0.781 25434 2669 1 7 . 1 1 57 57 GLU H H 57 8.188 8.188 7.748 0.440 25434 2670 1 7 . 1 1 58 58 ARG N N 58 116.912 116.912 117.767 -0.855 25434 2671 1 7 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.291 -0.160 25434 2672 1 7 . 1 1 58 58 ARG CA C 58 56.442 56.442 56.047 0.395 25434 2673 1 7 . 1 1 58 58 ARG CB C 58 31.887 31.887 30.519 1.368 25434 2674 1 7 . 1 1 58 58 ARG H H 58 7.636 7.636 7.549 0.087 25434 2675 1 7 . 1 1 59 59 ARG N N 59 116.563 116.563 116.680 -0.117 25434 2676 1 7 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.336 -0.099 25434 2677 1 7 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.737 -0.005 25434 2678 1 7 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.054 -0.420 25434 2679 1 7 . 1 1 59 59 ARG H H 59 7.878 7.878 7.570 0.308 25434 2680 1 7 . 1 1 60 60 THR N N 60 109.170 109.170 110.859 -1.689 25434 2681 1 7 . 1 1 60 60 THR HA H 60 4.516 4.516 4.518 -0.002 25434 2682 1 7 . 1 1 60 60 THR CA C 60 60.050 60.050 59.330 0.720 25434 2683 1 7 . 1 1 60 60 THR CB C 60 69.758 69.758 71.286 -1.528 25434 2684 1 7 . 1 1 60 60 THR H H 60 6.591 6.591 6.812 -0.221 25434 2685 1 7 . 1 1 61 61 TYR N N 61 120.491 120.491 120.556 -0.065 25434 2686 1 7 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.219 -0.144 25434 2687 1 7 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.298 1.095 25434 2688 1 7 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.642 0.739 25434 2689 1 7 . 1 1 61 61 TYR H H 61 7.474 7.474 8.136 -0.662 25434 2690 1 7 . 1 1 62 62 VAL N N 62 123.115 123.115 118.221 4.894 25434 2691 1 7 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.659 -0.015 25434 2692 1 7 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.720 0.890 25434 2693 1 7 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.614 0.804 25434 2694 1 7 . 1 1 62 62 VAL H H 62 9.176 9.176 8.581 0.595 25434 2695 1 7 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.718 0.046 25434 2696 1 7 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.505 1.137 25434 2697 1 7 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.472 1.086 25434 2698 1 7 . 1 1 64 64 ALA N N 64 126.032 126.032 128.665 -2.633 25434 2699 1 7 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.664 -0.019 25434 2700 1 7 . 1 1 64 64 ALA CA C 64 52.126 52.126 51.214 0.912 25434 2701 1 7 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.360 1.392 25434 2702 1 7 . 1 1 64 64 ALA H H 64 8.708 8.708 8.381 0.327 25434 2703 1 7 . 1 1 65 65 LEU N N 65 120.884 120.884 123.012 -2.128 25434 2704 1 7 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.490 0.001 25434 2705 1 7 . 1 1 65 65 LEU CA C 65 55.656 55.656 54.307 1.349 25434 2706 1 7 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.682 0.956 25434 2707 1 7 . 1 1 65 65 LEU H H 65 8.469 8.469 7.469 1.000 25434 2708 1 7 . 1 1 66 66 GLU N N 66 115.912 115.912 120.113 -4.201 25434 2709 1 7 . 1 1 66 66 GLU HA H 66 4.546 4.546 3.935 0.611 25434 2710 1 7 . 1 1 66 66 GLU CA C 66 55.780 55.780 57.742 -1.962 25434 2711 1 7 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.214 3.813 25434 2712 1 7 . 1 1 66 66 GLU H H 66 8.328 8.328 8.859 -0.531 25434 2713 1 7 . 1 1 67 67 GLN N N 67 120.380 120.380 119.613 0.767 25434 2714 1 7 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.163 0.319 25434 2715 1 7 . 1 1 67 67 GLN CA C 67 55.771 55.771 57.189 -1.418 25434 2716 1 7 . 1 1 67 67 GLN CB C 67 29.740 29.740 28.460 1.280 25434 2717 1 7 . 1 1 67 67 GLN H H 67 8.478 8.478 8.168 0.310 25434 2718 1 7 . 1 1 68 68 SER N N 68 116.287 116.287 120.239 -3.952 25434 2719 1 7 . 1 1 68 68 SER HA H 68 4.575 4.575 4.590 -0.015 25434 2720 1 7 . 1 1 68 68 SER CA C 68 58.309 58.309 58.340 -0.031 25434 2721 1 7 . 1 1 68 68 SER CB C 68 64.119 64.119 64.076 0.043 25434 2722 1 7 . 1 1 68 68 SER H H 68 8.370 8.370 8.328 0.042 25434 2723 1 7 . 1 1 69 69 ALA N N 69 125.968 125.968 127.111 -1.143 25434 2724 1 7 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.047 0.396 25434 2725 1 7 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.664 0.318 25434 2726 1 7 . 1 1 69 69 ALA CB C 69 19.365 19.365 19.001 0.364 25434 2727 1 7 . 1 1 69 69 ALA H H 69 8.533 8.533 8.439 0.094 25434 2728 1 7 . 1 1 70 70 ASP N N 70 118.262 118.262 121.068 -2.806 25434 2729 1 7 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.767 -0.085 25434 2730 1 7 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.356 0.113 25434 2731 1 7 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.279 0.100 25434 2732 1 7 . 1 1 70 70 ASP H H 70 8.300 8.300 8.411 -0.111 25434 2733 1 7 . 1 1 71 71 GLY N N 71 108.495 108.495 111.187 -2.692 25434 2734 1 7 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.748 0.074 25434 2735 1 7 . 1 1 71 71 GLY H H 71 8.291 8.291 8.764 -0.473 25434 2736 1 7 . 1 1 72 72 HIS N N 72 118.240 118.240 117.525 0.715 25434 2737 1 7 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.119 0.648 25434 2738 1 7 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.207 -1.361 25434 2739 1 7 . 1 1 72 72 HIS CB C 72 29.363 29.363 28.437 0.926 25434 2740 1 7 . 1 1 72 72 HIS H H 72 8.354 8.354 8.481 -0.127 25434 2741 1 7 . 1 1 73 73 LYS N N 73 121.591 121.591 120.356 1.235 25434 2742 1 7 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.519 -0.076 25434 2743 1 7 . 1 1 73 73 LYS CA C 73 56.601 56.601 54.989 1.612 25434 2744 1 7 . 1 1 73 73 LYS CB C 73 33.133 33.133 34.653 -1.520 25434 2745 1 7 . 1 1 73 73 LYS H H 73 8.457 8.457 7.791 0.666 25434 2746 1 7 . 1 1 74 74 GLU N N 74 122.169 122.169 124.795 -2.626 25434 2747 1 7 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.196 0.298 25434 2748 1 7 . 1 1 74 74 GLU CA C 74 56.565 56.565 56.848 -0.283 25434 2749 1 7 . 1 1 74 74 GLU CB C 74 30.327 30.327 28.323 2.004 25434 2750 1 7 . 1 1 74 74 GLU H H 74 8.669 8.669 8.924 -0.255 25434 2751 1 7 . 1 1 75 75 THR N N 75 114.560 114.560 115.314 -0.754 25434 2752 1 7 . 1 1 75 75 THR HA H 75 4.463 4.463 3.915 0.548 25434 2753 1 7 . 1 1 75 75 THR CA C 75 61.998 61.998 64.657 -2.659 25434 2754 1 7 . 1 1 75 75 THR CB C 75 69.901 69.901 68.595 1.306 25434 2755 1 7 . 1 1 75 75 THR H H 75 8.313 8.313 8.834 -0.521 25434 2756 1 7 . 1 1 76 76 GLY N N 76 110.986 110.986 107.991 2.995 25434 2757 1 7 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.166 0.228 25434 2758 1 7 . 1 1 76 76 GLY H H 76 8.493 8.493 8.191 0.302 25434 2759 1 7 . 1 1 77 77 ALA N N 77 123.316 123.316 123.394 -0.078 25434 2760 1 7 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.872 -0.238 25434 2761 1 7 . 1 1 77 77 ALA CA C 77 50.611 50.611 49.012 1.599 25434 2762 1 7 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.046 -0.575 25434 2763 1 7 . 1 1 77 77 ALA H H 77 8.025 8.025 7.819 0.206 25434 2764 1 7 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.389 0.339 25434 2765 1 7 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.196 -0.227 25434 2766 1 7 . 1 1 79 79 SER N N 79 116.876 116.876 112.688 4.188 25434 2767 1 7 . 1 1 79 79 SER HA H 79 4.543 4.543 4.202 0.341 25434 2768 1 7 . 1 1 79 79 SER CA C 79 58.548 58.548 59.312 -0.764 25434 2769 1 7 . 1 1 79 79 SER CB C 79 63.972 63.972 63.200 0.771 25434 2770 1 7 . 1 1 79 79 SER H H 79 8.627 8.627 8.079 0.548 25434 2771 1 7 . 1 1 80 80 LYS N N 80 122.282 122.282 118.913 3.369 25434 2772 1 7 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.490 -0.093 25434 2773 1 7 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.085 0.543 25434 2774 1 7 . 1 1 80 80 LYS CB C 80 33.268 33.268 33.273 -0.005 25434 2775 1 7 . 1 1 80 80 LYS H H 80 8.359 8.359 7.785 0.574 25434 2776 1 7 . 1 1 81 81 GLU N N 81 121.390 121.390 120.090 1.300 25434 2777 1 7 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.463 -0.076 25434 2778 1 7 . 1 1 81 81 GLU CA C 81 56.773 56.773 55.037 1.736 25434 2779 1 7 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.619 0.755 25434 2780 1 7 . 1 1 81 81 GLU H H 81 8.521 8.521 8.120 0.401 25434 2781 1 7 . 1 1 82 82 GLY N N 82 109.657 109.657 108.136 1.521 25434 2782 1 7 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.496 0.237 25434 2783 1 7 . 1 1 82 82 GLY H H 82 8.491 8.491 8.018 0.473 25434 2784 1 7 . 1 1 83 83 LYS N N 83 120.424 120.424 119.163 1.261 25434 2785 1 7 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.433 -0.038 25434 2786 1 7 . 1 1 83 83 LYS CA C 83 56.900 56.900 56.218 0.682 25434 2787 1 7 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.115 1.107 25434 2788 1 7 . 1 1 83 83 LYS H H 83 8.237 8.237 8.292 -0.055 25434 2789 1 7 . 1 1 84 84 GLU N N 84 120.758 120.758 118.805 1.953 25434 2790 1 7 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.044 0.334 25434 2791 1 7 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.559 -1.824 25434 2792 1 7 . 1 1 84 84 GLU CB C 84 30.602 30.602 28.854 1.748 25434 2793 1 7 . 1 1 84 84 GLU H H 84 8.571 8.571 8.590 -0.019 25434 2794 1 7 . 1 1 85 85 LYS N N 85 122.155 122.155 114.007 8.148 25434 2795 1 7 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.441 -0.030 25434 2796 1 7 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.867 0.454 25434 2797 1 7 . 1 1 85 85 LYS CB C 85 33.193 33.193 33.098 0.095 25434 2798 1 7 . 1 1 85 85 LYS H H 85 8.558 8.558 7.856 0.702 25434 2799 1 7 . 1 1 86 86 LYS N N 86 122.185 122.185 117.963 4.222 25434 2800 1 7 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.668 -0.296 25434 2801 1 7 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.209 0.460 25434 2802 1 7 . 1 1 86 86 LYS CB C 86 33.268 33.268 32.405 0.863 25434 2803 1 7 . 1 1 86 86 LYS H H 86 8.397 8.397 7.861 0.536 25434 2804 1 7 . 1 1 87 87 GLU N N 87 124.443 124.443 121.276 3.167 25434 2805 1 7 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.029 0.495 25434 2806 1 7 . 1 1 87 87 GLU CA C 87 58.257 58.257 59.419 -1.162 25434 2807 1 7 . 1 1 87 87 GLU CB C 87 33.559 33.559 29.522 4.037 25434 2808 1 7 . 1 1 87 87 GLU H H 87 8.175 8.175 8.775 -0.600 25434 2809 1 7 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.650 0.137 25434 2810 1 7 . 1 1 89 89 HIS CA C 89 55.754 55.754 55.899 -0.145 25434 2811 1 7 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.338 -0.011 25434 2812 1 7 . 1 1 90 90 LYS N N 90 122.178 122.178 118.392 3.786 25434 2813 1 7 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.110 0.287 25434 2814 1 7 . 1 1 90 90 LYS CA C 90 56.597 56.597 57.293 -0.696 25434 2815 1 7 . 1 1 90 90 LYS CB C 90 33.222 33.222 31.429 1.793 25434 2816 1 7 . 1 1 90 90 LYS H H 90 8.335 8.335 7.714 0.621 25434 2817 1 7 . 1 1 91 91 THR N N 91 121.268 121.268 113.355 7.913 25434 2818 1 7 . 1 1 91 91 THR HA H 91 4.453 4.453 4.313 0.140 25434 2819 1 7 . 1 1 91 91 THR CA C 91 61.956 61.956 62.628 -0.672 25434 2820 1 7 . 1 1 91 91 THR CB C 91 69.916 69.916 69.308 0.608 25434 2821 1 7 . 1 1 91 91 THR H H 91 8.047 8.047 7.819 0.228 25434 2822 1 8 . 1 1 5 5 GLU N N 5 123.289 123.289 120.437 2.852 25434 2823 1 8 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.379 0.155 25434 2824 1 8 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.814 6.426 25434 2825 1 8 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.938 2.287 25434 2826 1 8 . 1 1 5 5 GLU H H 5 8.538 8.538 8.445 0.093 25434 2827 1 8 . 1 1 6 6 SER N N 6 115.506 115.506 116.651 -1.145 25434 2828 1 8 . 1 1 6 6 SER HA H 6 4.552 4.552 4.146 0.406 25434 2829 1 8 . 1 1 6 6 SER CA C 6 58.231 58.231 58.528 -0.297 25434 2830 1 8 . 1 1 6 6 SER CB C 6 64.028 64.028 62.180 1.848 25434 2831 1 8 . 1 1 6 6 SER H H 6 8.435 8.435 8.566 -0.131 25434 2832 1 8 . 1 1 7 7 TYR N N 7 121.104 121.104 123.129 -2.025 25434 2833 1 8 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.543 0.199 25434 2834 1 8 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.895 -1.284 25434 2835 1 8 . 1 1 7 7 TYR CB C 7 39.176 39.176 39.845 -0.669 25434 2836 1 8 . 1 1 7 7 TYR H H 7 8.137 8.137 7.952 0.185 25434 2837 1 8 . 1 1 8 8 SER N N 8 116.875 116.875 115.271 1.604 25434 2838 1 8 . 1 1 8 8 SER HA H 8 4.539 4.539 4.775 -0.236 25434 2839 1 8 . 1 1 8 8 SER CA C 8 58.327 58.327 57.739 0.588 25434 2840 1 8 . 1 1 8 8 SER CB C 8 63.958 63.958 64.115 -0.157 25434 2841 1 8 . 1 1 8 8 SER H H 8 8.364 8.364 8.352 0.012 25434 2842 1 8 . 1 1 9 9 GLN N N 9 120.999 120.999 120.401 0.598 25434 2843 1 8 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.518 -0.075 25434 2844 1 8 . 1 1 9 9 GLN CA C 9 56.678 56.678 56.698 -0.020 25434 2845 1 8 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.710 0.662 25434 2846 1 8 . 1 1 9 9 GLN H H 9 8.414 8.414 8.324 0.090 25434 2847 1 8 . 1 1 10 10 TYR N N 10 121.815 121.815 120.937 0.878 25434 2848 1 8 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.857 0.117 25434 2849 1 8 . 1 1 10 10 TYR CA C 10 56.383 56.383 56.233 0.150 25434 2850 1 8 . 1 1 10 10 TYR CB C 10 40.009 40.009 38.832 1.177 25434 2851 1 8 . 1 1 10 10 TYR H H 10 8.549 8.549 8.699 -0.150 25434 2852 1 8 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.600 0.016 25434 2853 1 8 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.781 -0.782 25434 2854 1 8 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.513 -0.310 25434 2855 1 8 . 1 1 12 12 VAL N N 12 120.450 120.450 119.092 1.358 25434 2856 1 8 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.125 -0.325 25434 2857 1 8 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.758 0.699 25434 2858 1 8 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.236 1.015 25434 2859 1 8 . 1 1 12 12 VAL H H 12 8.074 8.074 8.310 -0.236 25434 2860 1 8 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.454 -0.436 25434 2861 1 8 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.490 0.690 25434 2862 1 8 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.897 -0.265 25434 2863 1 8 . 1 1 14 14 ASP N N 14 120.579 120.579 119.953 0.626 25434 2864 1 8 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.568 0.143 25434 2865 1 8 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.509 -0.435 25434 2866 1 8 . 1 1 14 14 ASP CB C 14 41.050 41.050 44.073 -3.023 25434 2867 1 8 . 1 1 14 14 ASP H H 14 8.148 8.148 8.304 -0.156 25434 2868 1 8 . 1 1 15 15 VAL N N 15 120.884 120.884 125.610 -4.726 25434 2869 1 8 . 1 1 15 15 VAL HA H 15 2.170 2.170 2.133 0.037 25434 2870 1 8 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.540 -0.771 25434 2871 1 8 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.566 -0.669 25434 2872 1 8 . 1 1 15 15 VAL H H 15 8.161 8.161 8.409 -0.248 25434 2873 1 8 . 1 1 16 16 SER N N 16 116.885 116.885 114.011 2.874 25434 2874 1 8 . 1 1 16 16 SER HA H 16 4.294 4.294 4.090 0.204 25434 2875 1 8 . 1 1 16 16 SER CA C 16 61.011 61.011 60.716 0.295 25434 2876 1 8 . 1 1 16 16 SER CB C 16 63.004 63.004 62.921 0.083 25434 2877 1 8 . 1 1 16 16 SER H H 16 8.139 8.139 8.561 -0.422 25434 2878 1 8 . 1 1 17 17 THR N N 17 110.397 110.397 109.358 1.039 25434 2879 1 8 . 1 1 17 17 THR HA H 17 4.558 4.558 4.423 0.135 25434 2880 1 8 . 1 1 17 17 THR CA C 17 61.987 61.987 60.986 1.001 25434 2881 1 8 . 1 1 17 17 THR CB C 17 70.459 70.459 69.841 0.618 25434 2882 1 8 . 1 1 17 17 THR H H 17 7.549 7.549 7.434 0.115 25434 2883 1 8 . 1 1 18 18 TYR N N 18 120.956 120.956 122.349 -1.393 25434 2884 1 8 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.551 0.617 25434 2885 1 8 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.386 -2.563 25434 2886 1 8 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.083 -1.343 25434 2887 1 8 . 1 1 18 18 TYR H H 18 7.365 7.365 7.294 0.071 25434 2888 1 8 . 1 1 19 19 GLN N N 19 119.670 119.670 120.111 -0.441 25434 2889 1 8 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.772 0.280 25434 2890 1 8 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.514 -0.128 25434 2891 1 8 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.886 0.561 25434 2892 1 8 . 1 1 19 19 GLN H H 19 9.372 9.372 8.878 0.494 25434 2893 1 8 . 1 1 20 20 TYR N N 20 126.395 126.395 128.356 -1.961 25434 2894 1 8 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.621 -0.519 25434 2895 1 8 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.508 -0.134 25434 2896 1 8 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.380 -0.354 25434 2897 1 8 . 1 1 20 20 TYR H H 20 9.433 9.433 9.143 0.290 25434 2898 1 8 . 1 1 21 21 ASP N N 21 128.962 128.962 125.040 3.922 25434 2899 1 8 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.797 0.083 25434 2900 1 8 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.246 -0.913 25434 2901 1 8 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.547 -0.215 25434 2902 1 8 . 1 1 21 21 ASP H H 21 8.128 8.128 7.666 0.462 25434 2903 1 8 . 1 1 22 22 GLU N N 22 124.636 124.636 124.401 0.235 25434 2904 1 8 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.719 0.079 25434 2905 1 8 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.432 0.201 25434 2906 1 8 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.104 0.608 25434 2907 1 8 . 1 1 22 22 GLU H H 22 8.768 8.768 8.569 0.199 25434 2908 1 8 . 1 1 23 23 THR N N 23 112.402 112.402 112.450 -0.048 25434 2909 1 8 . 1 1 23 23 THR HA H 23 4.045 4.045 4.122 -0.077 25434 2910 1 8 . 1 1 23 23 THR CA C 23 65.526 65.526 63.682 1.844 25434 2911 1 8 . 1 1 23 23 THR CB C 23 68.434 68.434 68.952 -0.518 25434 2912 1 8 . 1 1 23 23 THR H H 23 8.031 8.031 8.101 -0.070 25434 2913 1 8 . 1 1 24 24 SER N N 24 113.712 113.712 114.093 -0.381 25434 2914 1 8 . 1 1 24 24 SER HA H 24 4.327 4.327 4.562 -0.235 25434 2915 1 8 . 1 1 24 24 SER CA C 24 59.046 59.046 58.359 0.687 25434 2916 1 8 . 1 1 24 24 SER CB C 24 65.024 65.024 65.756 -0.732 25434 2917 1 8 . 1 1 24 24 SER H H 24 7.503 7.503 7.455 0.048 25434 2918 1 8 . 1 1 25 25 GLY N N 25 111.227 111.227 110.009 1.218 25434 2919 1 8 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.901 -0.274 25434 2920 1 8 . 1 1 25 25 GLY H H 25 8.304 8.304 8.237 0.067 25434 2921 1 8 . 1 1 26 26 TYR N N 26 117.907 117.907 118.159 -0.252 25434 2922 1 8 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.676 0.711 25434 2923 1 8 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.345 -2.339 25434 2924 1 8 . 1 1 26 26 TYR CB C 26 40.743 40.743 40.377 0.367 25434 2925 1 8 . 1 1 26 26 TYR H H 26 7.951 7.951 7.381 0.570 25434 2926 1 8 . 1 1 27 27 TYR N N 27 116.474 116.474 116.895 -0.421 25434 2927 1 8 . 1 1 27 27 TYR HA H 27 5.358 5.358 4.911 0.447 25434 2928 1 8 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.480 0.763 25434 2929 1 8 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.361 1.051 25434 2930 1 8 . 1 1 27 27 TYR H H 27 9.253 9.253 9.034 0.219 25434 2931 1 8 . 1 1 28 28 TYR N N 28 122.756 122.756 123.872 -1.116 25434 2932 1 8 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.310 0.468 25434 2933 1 8 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.589 1.394 25434 2934 1 8 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.636 0.359 25434 2935 1 8 . 1 1 28 28 TYR H H 28 9.686 9.686 9.299 0.387 25434 2936 1 8 . 1 1 29 29 ASP N N 29 125.994 125.994 125.721 0.273 25434 2937 1 8 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.474 0.278 25434 2938 1 8 . 1 1 29 29 ASP CA C 29 49.202 49.202 50.499 -1.297 25434 2939 1 8 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.693 1.472 25434 2940 1 8 . 1 1 29 29 ASP H H 29 7.954 7.954 8.008 -0.054 25434 2941 1 8 . 1 1 30 30 PRO HA H 30 4.070 4.070 4.026 0.044 25434 2942 1 8 . 1 1 30 30 PRO CA C 30 63.608 63.608 63.847 -0.239 25434 2943 1 8 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.610 0.982 25434 2944 1 8 . 1 1 31 31 GLN N N 31 115.244 115.244 117.309 -2.065 25434 2945 1 8 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.240 -0.008 25434 2946 1 8 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.950 0.567 25434 2947 1 8 . 1 1 31 31 GLN CB C 31 29.305 29.305 28.252 1.053 25434 2948 1 8 . 1 1 31 31 GLN H H 31 7.989 7.989 8.331 -0.342 25434 2949 1 8 . 1 1 32 32 THR N N 32 104.641 104.641 106.168 -1.527 25434 2950 1 8 . 1 1 32 32 THR HA H 32 4.332 4.332 4.485 -0.153 25434 2951 1 8 . 1 1 32 32 THR CA C 32 61.768 61.768 62.168 -0.400 25434 2952 1 8 . 1 1 32 32 THR CB C 32 71.212 71.212 70.941 0.271 25434 2953 1 8 . 1 1 32 32 THR H H 32 6.765 6.765 7.899 -1.134 25434 2954 1 8 . 1 1 33 33 GLY N N 33 111.318 111.318 110.868 0.450 25434 2955 1 8 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.685 -0.158 25434 2956 1 8 . 1 1 33 33 GLY H H 33 8.439 8.439 8.101 0.338 25434 2957 1 8 . 1 1 34 34 LEU N N 34 118.537 118.537 118.264 0.273 25434 2958 1 8 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.840 -0.239 25434 2959 1 8 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.226 -0.205 25434 2960 1 8 . 1 1 34 34 LEU CB C 34 44.529 44.529 43.387 1.142 25434 2961 1 8 . 1 1 34 34 LEU H H 34 7.422 7.422 6.966 0.456 25434 2962 1 8 . 1 1 35 35 TYR N N 35 116.166 116.166 115.428 0.738 25434 2963 1 8 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.263 0.259 25434 2964 1 8 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.044 0.202 25434 2965 1 8 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.363 -1.487 25434 2966 1 8 . 1 1 35 35 TYR H H 35 8.692 8.692 8.545 0.147 25434 2967 1 8 . 1 1 36 36 TYR N N 36 121.442 121.442 121.212 0.230 25434 2968 1 8 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.549 0.407 25434 2969 1 8 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.380 0.597 25434 2970 1 8 . 1 1 36 36 TYR CB C 36 42.714 42.714 41.894 0.820 25434 2971 1 8 . 1 1 36 36 TYR H H 36 9.745 9.745 9.281 0.464 25434 2972 1 8 . 1 1 37 37 ASP N N 37 127.129 127.129 123.482 3.647 25434 2973 1 8 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.650 0.591 25434 2974 1 8 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.503 -0.221 25434 2975 1 8 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.160 -1.301 25434 2976 1 8 . 1 1 37 37 ASP H H 37 8.029 8.029 7.356 0.673 25434 2977 1 8 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.487 -0.408 25434 2978 1 8 . 1 1 38 38 PRO CA C 38 63.729 63.729 63.987 -0.258 25434 2979 1 8 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.718 -0.230 25434 2980 1 8 . 1 1 39 39 ASN N N 39 115.838 115.838 116.100 -0.262 25434 2981 1 8 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.645 0.033 25434 2982 1 8 . 1 1 39 39 ASN CA C 39 55.719 55.719 55.172 0.547 25434 2983 1 8 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.530 -0.543 25434 2984 1 8 . 1 1 39 39 ASN H H 39 8.232 8.232 8.953 -0.721 25434 2985 1 8 . 1 1 40 40 SER N N 40 112.476 112.476 115.430 -2.954 25434 2986 1 8 . 1 1 40 40 SER HA H 40 4.346 4.346 4.526 -0.180 25434 2987 1 8 . 1 1 40 40 SER CA C 40 58.832 58.832 57.250 1.582 25434 2988 1 8 . 1 1 40 40 SER CB C 40 64.576 64.576 63.480 1.096 25434 2989 1 8 . 1 1 40 40 SER H H 40 7.371 7.371 8.368 -0.997 25434 2990 1 8 . 1 1 41 41 GLN N N 41 114.329 114.329 122.629 -8.300 25434 2991 1 8 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.972 -0.192 25434 2992 1 8 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.445 1.717 25434 2993 1 8 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.259 -2.282 25434 2994 1 8 . 1 1 41 41 GLN H H 41 8.203 8.203 8.395 -0.192 25434 2995 1 8 . 1 1 42 42 TYR N N 42 115.202 115.202 119.086 -3.884 25434 2996 1 8 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.895 0.626 25434 2997 1 8 . 1 1 42 42 TYR CA C 42 56.636 56.636 56.428 0.208 25434 2998 1 8 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.290 3.091 25434 2999 1 8 . 1 1 42 42 TYR H H 42 7.621 7.621 6.877 0.744 25434 3000 1 8 . 1 1 43 43 TYR N N 43 118.608 118.608 125.388 -6.780 25434 3001 1 8 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.688 1.007 25434 3002 1 8 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.340 -2.019 25434 3003 1 8 . 1 1 43 43 TYR CB C 43 41.858 41.858 37.895 3.963 25434 3004 1 8 . 1 1 43 43 TYR H H 43 9.724 9.724 8.713 1.011 25434 3005 1 8 . 1 1 44 44 TYR N N 44 121.727 121.727 127.643 -5.916 25434 3006 1 8 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.834 0.348 25434 3007 1 8 . 1 1 44 44 TYR CA C 44 56.548 56.548 57.949 -1.401 25434 3008 1 8 . 1 1 44 44 TYR CB C 44 42.263 42.263 40.050 2.213 25434 3009 1 8 . 1 1 44 44 TYR H H 44 9.594 9.594 9.440 0.154 25434 3010 1 8 . 1 1 45 45 ASN N N 45 125.423 125.423 125.430 -0.007 25434 3011 1 8 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.912 0.093 25434 3012 1 8 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.549 0.371 25434 3013 1 8 . 1 1 45 45 ASN CB C 45 39.271 39.271 39.155 0.116 25434 3014 1 8 . 1 1 45 45 ASN H H 45 8.244 8.244 8.604 -0.360 25434 3015 1 8 . 1 1 46 46 ALA N N 46 126.039 126.039 127.237 -1.198 25434 3016 1 8 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.431 0.346 25434 3017 1 8 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.921 -1.148 25434 3018 1 8 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.431 0.724 25434 3019 1 8 . 1 1 46 46 ALA H H 46 8.974 8.974 8.643 0.331 25434 3020 1 8 . 1 1 47 47 GLN N N 47 116.850 116.850 118.469 -1.619 25434 3021 1 8 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.079 0.215 25434 3022 1 8 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.340 0.288 25434 3023 1 8 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.954 -0.431 25434 3024 1 8 . 1 1 47 47 GLN H H 47 8.349 8.349 8.696 -0.347 25434 3025 1 8 . 1 1 48 48 SER N N 48 111.872 111.872 111.333 0.539 25434 3026 1 8 . 1 1 48 48 SER HA H 48 4.474 4.474 4.687 -0.213 25434 3027 1 8 . 1 1 48 48 SER CA C 48 57.580 57.580 58.059 -0.479 25434 3028 1 8 . 1 1 48 48 SER CB C 48 64.262 64.262 64.735 -0.473 25434 3029 1 8 . 1 1 48 48 SER H H 48 7.544 7.544 7.588 -0.044 25434 3030 1 8 . 1 1 49 49 GLN N N 49 118.063 118.063 116.104 1.959 25434 3031 1 8 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.591 0.130 25434 3032 1 8 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.208 -0.033 25434 3033 1 8 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.174 -0.241 25434 3034 1 8 . 1 1 49 49 GLN H H 49 7.969 7.969 7.659 0.310 25434 3035 1 8 . 1 1 50 50 GLN N N 50 116.254 116.254 117.513 -1.259 25434 3036 1 8 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.601 0.218 25434 3037 1 8 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.313 0.188 25434 3038 1 8 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.911 1.499 25434 3039 1 8 . 1 1 50 50 GLN H H 50 7.180 7.180 7.560 -0.380 25434 3040 1 8 . 1 1 51 51 TYR N N 51 121.463 121.463 120.842 0.621 25434 3041 1 8 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.377 0.303 25434 3042 1 8 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.006 1.164 25434 3043 1 8 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.147 -0.081 25434 3044 1 8 . 1 1 51 51 TYR H H 51 8.931 8.931 8.737 0.194 25434 3045 1 8 . 1 1 52 52 LEU N N 52 122.429 122.429 122.872 -0.443 25434 3046 1 8 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.537 0.011 25434 3047 1 8 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.219 1.214 25434 3048 1 8 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.565 1.484 25434 3049 1 8 . 1 1 52 52 LEU H H 52 9.726 9.726 9.227 0.499 25434 3050 1 8 . 1 1 53 53 TYR N N 53 117.639 117.639 114.093 3.546 25434 3051 1 8 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.511 0.366 25434 3052 1 8 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.613 0.104 25434 3053 1 8 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.542 0.585 25434 3054 1 8 . 1 1 53 53 TYR H H 53 9.533 9.533 9.028 0.505 25434 3055 1 8 . 1 1 54 54 TRP N N 54 122.206 122.206 124.129 -1.923 25434 3056 1 8 . 1 1 54 54 TRP HA H 54 4.506 4.506 3.836 0.670 25434 3057 1 8 . 1 1 54 54 TRP CA C 54 56.813 56.813 57.297 -0.485 25434 3058 1 8 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.118 0.230 25434 3059 1 8 . 1 1 54 54 TRP H H 54 9.253 9.253 9.277 -0.024 25434 3060 1 8 . 1 1 55 55 ASP N N 55 128.978 128.978 126.135 2.843 25434 3061 1 8 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.583 0.112 25434 3062 1 8 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.644 -0.761 25434 3063 1 8 . 1 1 55 55 ASP CB C 55 42.843 42.843 42.153 0.690 25434 3064 1 8 . 1 1 55 55 ASP H H 55 8.031 8.031 7.550 0.481 25434 3065 1 8 . 1 1 56 56 GLY N N 56 111.521 111.521 111.351 0.170 25434 3066 1 8 . 1 1 56 56 GLY CA C 56 46.775 46.775 45.973 0.802 25434 3067 1 8 . 1 1 56 56 GLY H H 56 8.548 8.548 8.246 0.302 25434 3068 1 8 . 1 1 57 57 GLU N N 57 120.202 120.202 119.455 0.747 25434 3069 1 8 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.044 0.249 25434 3070 1 8 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.492 -0.174 25434 3071 1 8 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.387 0.496 25434 3072 1 8 . 1 1 57 57 GLU H H 57 8.188 8.188 7.644 0.544 25434 3073 1 8 . 1 1 58 58 ARG N N 58 116.912 116.912 116.417 0.495 25434 3074 1 8 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.254 -0.123 25434 3075 1 8 . 1 1 58 58 ARG CA C 58 56.442 56.442 56.097 0.345 25434 3076 1 8 . 1 1 58 58 ARG CB C 58 31.887 31.887 30.876 1.011 25434 3077 1 8 . 1 1 58 58 ARG H H 58 7.636 7.636 7.481 0.155 25434 3078 1 8 . 1 1 59 59 ARG N N 59 116.563 116.563 115.766 0.797 25434 3079 1 8 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.584 -0.347 25434 3080 1 8 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.668 0.064 25434 3081 1 8 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.500 -0.866 25434 3082 1 8 . 1 1 59 59 ARG H H 59 7.878 7.878 7.850 0.028 25434 3083 1 8 . 1 1 60 60 THR N N 60 109.170 109.170 111.458 -2.288 25434 3084 1 8 . 1 1 60 60 THR HA H 60 4.516 4.516 4.453 0.063 25434 3085 1 8 . 1 1 60 60 THR CA C 60 60.050 60.050 60.055 -0.005 25434 3086 1 8 . 1 1 60 60 THR CB C 60 69.758 69.758 71.459 -1.701 25434 3087 1 8 . 1 1 60 60 THR H H 60 6.591 6.591 7.124 -0.533 25434 3088 1 8 . 1 1 61 61 TYR N N 61 120.491 120.491 120.877 -0.386 25434 3089 1 8 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.209 -0.134 25434 3090 1 8 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.575 0.818 25434 3091 1 8 . 1 1 61 61 TYR CB C 61 40.381 40.381 40.199 0.182 25434 3092 1 8 . 1 1 61 61 TYR H H 61 7.474 7.474 8.088 -0.614 25434 3093 1 8 . 1 1 62 62 VAL N N 62 123.115 123.115 118.648 4.467 25434 3094 1 8 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.642 0.002 25434 3095 1 8 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.893 0.717 25434 3096 1 8 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.445 -0.027 25434 3097 1 8 . 1 1 62 62 VAL H H 62 9.176 9.176 8.497 0.679 25434 3098 1 8 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.796 -0.032 25434 3099 1 8 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.270 1.371 25434 3100 1 8 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.318 1.240 25434 3101 1 8 . 1 1 64 64 ALA N N 64 126.032 126.032 127.266 -1.234 25434 3102 1 8 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.339 0.306 25434 3103 1 8 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.985 -0.859 25434 3104 1 8 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.936 0.816 25434 3105 1 8 . 1 1 64 64 ALA H H 64 8.708 8.708 8.382 0.326 25434 3106 1 8 . 1 1 65 65 LEU N N 65 120.884 120.884 119.605 1.279 25434 3107 1 8 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.009 0.482 25434 3108 1 8 . 1 1 65 65 LEU CA C 65 55.656 55.656 57.047 -1.391 25434 3109 1 8 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.793 0.845 25434 3110 1 8 . 1 1 65 65 LEU H H 65 8.469 8.469 7.751 0.718 25434 3111 1 8 . 1 1 66 66 GLU N N 66 115.912 115.912 117.715 -1.803 25434 3112 1 8 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.083 0.463 25434 3113 1 8 . 1 1 66 66 GLU CA C 66 55.780 55.780 57.493 -1.713 25434 3114 1 8 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.800 3.227 25434 3115 1 8 . 1 1 66 66 GLU H H 66 8.328 8.328 8.423 -0.095 25434 3116 1 8 . 1 1 67 67 GLN N N 67 120.380 120.380 115.743 4.637 25434 3117 1 8 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.088 0.394 25434 3118 1 8 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.689 -0.918 25434 3119 1 8 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.469 2.271 25434 3120 1 8 . 1 1 67 67 GLN H H 67 8.478 8.478 8.412 0.066 25434 3121 1 8 . 1 1 68 68 SER N N 68 116.287 116.287 111.501 4.786 25434 3122 1 8 . 1 1 68 68 SER HA H 68 4.575 4.575 4.476 0.099 25434 3123 1 8 . 1 1 68 68 SER CA C 68 58.309 58.309 58.318 -0.009 25434 3124 1 8 . 1 1 68 68 SER CB C 68 64.119 64.119 63.416 0.703 25434 3125 1 8 . 1 1 68 68 SER H H 68 8.370 8.370 8.093 0.277 25434 3126 1 8 . 1 1 69 69 ALA N N 69 125.968 125.968 124.780 1.188 25434 3127 1 8 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.709 -0.266 25434 3128 1 8 . 1 1 69 69 ALA CA C 69 52.982 52.982 51.274 1.708 25434 3129 1 8 . 1 1 69 69 ALA CB C 69 19.365 19.365 21.034 -1.669 25434 3130 1 8 . 1 1 69 69 ALA H H 69 8.533 8.533 7.764 0.769 25434 3131 1 8 . 1 1 70 70 ASP N N 70 118.262 118.262 121.275 -3.013 25434 3132 1 8 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.548 0.134 25434 3133 1 8 . 1 1 70 70 ASP CA C 70 54.469 54.469 55.360 -0.891 25434 3134 1 8 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.435 -0.056 25434 3135 1 8 . 1 1 70 70 ASP H H 70 8.300 8.300 8.768 -0.468 25434 3136 1 8 . 1 1 71 71 GLY N N 71 108.495 108.495 106.661 1.834 25434 3137 1 8 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.213 1.609 25434 3138 1 8 . 1 1 71 71 GLY H H 71 8.291 8.291 7.694 0.597 25434 3139 1 8 . 1 1 72 72 HIS N N 72 118.240 118.240 119.733 -1.493 25434 3140 1 8 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.476 0.291 25434 3141 1 8 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.969 -2.123 25434 3142 1 8 . 1 1 72 72 HIS CB C 72 29.363 29.363 30.068 -0.705 25434 3143 1 8 . 1 1 72 72 HIS H H 72 8.354 8.354 8.557 -0.203 25434 3144 1 8 . 1 1 73 73 LYS N N 73 121.591 121.591 117.048 4.543 25434 3145 1 8 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.054 0.389 25434 3146 1 8 . 1 1 73 73 LYS CA C 73 56.601 56.601 57.471 -0.870 25434 3147 1 8 . 1 1 73 73 LYS CB C 73 33.133 33.133 32.185 0.948 25434 3148 1 8 . 1 1 73 73 LYS H H 73 8.457 8.457 8.285 0.172 25434 3149 1 8 . 1 1 74 74 GLU N N 74 122.169 122.169 116.824 5.345 25434 3150 1 8 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.635 -0.141 25434 3151 1 8 . 1 1 74 74 GLU CA C 74 56.565 56.565 54.773 1.792 25434 3152 1 8 . 1 1 74 74 GLU CB C 74 30.327 30.327 33.261 -2.934 25434 3153 1 8 . 1 1 74 74 GLU H H 74 8.669 8.669 8.425 0.244 25434 3154 1 8 . 1 1 75 75 THR N N 75 114.560 114.560 114.467 0.093 25434 3155 1 8 . 1 1 75 75 THR HA H 75 4.463 4.463 4.084 0.379 25434 3156 1 8 . 1 1 75 75 THR CA C 75 61.998 61.998 64.503 -2.505 25434 3157 1 8 . 1 1 75 75 THR CB C 75 69.901 69.901 69.076 0.825 25434 3158 1 8 . 1 1 75 75 THR H H 75 8.313 8.313 8.745 -0.432 25434 3159 1 8 . 1 1 76 76 GLY N N 76 110.986 110.986 108.346 2.640 25434 3160 1 8 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.888 0.506 25434 3161 1 8 . 1 1 76 76 GLY H H 76 8.493 8.493 7.864 0.629 25434 3162 1 8 . 1 1 77 77 ALA N N 77 123.316 123.316 123.054 0.262 25434 3163 1 8 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.196 0.438 25434 3164 1 8 . 1 1 77 77 ALA CA C 77 50.611 50.611 52.146 -1.535 25434 3165 1 8 . 1 1 77 77 ALA CB C 77 18.471 18.471 17.931 0.540 25434 3166 1 8 . 1 1 77 77 ALA H H 77 8.025 8.025 7.990 0.035 25434 3167 1 8 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.393 0.335 25434 3168 1 8 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.060 -0.091 25434 3169 1 8 . 1 1 79 79 SER N N 79 116.876 116.876 117.762 -0.886 25434 3170 1 8 . 1 1 79 79 SER HA H 79 4.543 4.543 4.250 0.293 25434 3171 1 8 . 1 1 79 79 SER CA C 79 58.548 58.548 59.700 -1.152 25434 3172 1 8 . 1 1 79 79 SER CB C 79 63.972 63.972 62.531 1.441 25434 3173 1 8 . 1 1 79 79 SER H H 79 8.627 8.627 8.670 -0.043 25434 3174 1 8 . 1 1 80 80 LYS N N 80 122.282 122.282 119.885 2.397 25434 3175 1 8 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.383 0.014 25434 3176 1 8 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.608 0.020 25434 3177 1 8 . 1 1 80 80 LYS CB C 80 33.268 33.268 33.880 -0.612 25434 3178 1 8 . 1 1 80 80 LYS H H 80 8.359 8.359 8.390 -0.031 25434 3179 1 8 . 1 1 81 81 GLU N N 81 121.390 121.390 119.489 1.901 25434 3180 1 8 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.166 0.221 25434 3181 1 8 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.906 -1.133 25434 3182 1 8 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.227 1.147 25434 3183 1 8 . 1 1 81 81 GLU H H 81 8.521 8.521 8.458 0.063 25434 3184 1 8 . 1 1 82 82 GLY N N 82 109.657 109.657 108.316 1.341 25434 3185 1 8 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.538 0.195 25434 3186 1 8 . 1 1 82 82 GLY H H 82 8.491 8.491 8.424 0.067 25434 3187 1 8 . 1 1 83 83 LYS N N 83 120.424 120.424 120.111 0.313 25434 3188 1 8 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.327 0.068 25434 3189 1 8 . 1 1 83 83 LYS CA C 83 56.900 56.900 56.385 0.515 25434 3190 1 8 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.019 1.203 25434 3191 1 8 . 1 1 83 83 LYS H H 83 8.237 8.237 8.485 -0.248 25434 3192 1 8 . 1 1 84 84 GLU N N 84 120.758 120.758 118.693 2.065 25434 3193 1 8 . 1 1 84 84 GLU HA H 84 4.378 4.378 3.966 0.412 25434 3194 1 8 . 1 1 84 84 GLU CA C 84 56.735 56.735 59.447 -2.712 25434 3195 1 8 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.196 1.406 25434 3196 1 8 . 1 1 84 84 GLU H H 84 8.571 8.571 8.619 -0.048 25434 3197 1 8 . 1 1 85 85 LYS N N 85 122.155 122.155 117.725 4.430 25434 3198 1 8 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.419 -0.008 25434 3199 1 8 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.378 0.943 25434 3200 1 8 . 1 1 85 85 LYS CB C 85 33.193 33.193 31.676 1.517 25434 3201 1 8 . 1 1 85 85 LYS H H 85 8.558 8.558 8.008 0.550 25434 3202 1 8 . 1 1 86 86 LYS N N 86 122.185 122.185 118.724 3.461 25434 3203 1 8 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.862 0.510 25434 3204 1 8 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.470 -0.801 25434 3205 1 8 . 1 1 86 86 LYS CB C 86 33.268 33.268 31.141 2.127 25434 3206 1 8 . 1 1 86 86 LYS H H 86 8.397 8.397 7.773 0.624 25434 3207 1 8 . 1 1 87 87 GLU N N 87 124.443 124.443 118.407 6.036 25434 3208 1 8 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.040 0.484 25434 3209 1 8 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.012 1.245 25434 3210 1 8 . 1 1 87 87 GLU CB C 87 33.559 33.559 28.185 5.374 25434 3211 1 8 . 1 1 87 87 GLU H H 87 8.175 8.175 8.359 -0.184 25434 3212 1 8 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.911 -0.124 25434 3213 1 8 . 1 1 89 89 HIS CA C 89 55.754 55.754 54.858 0.896 25434 3214 1 8 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.958 -0.631 25434 3215 1 8 . 1 1 90 90 LYS N N 90 122.178 122.178 119.832 2.346 25434 3216 1 8 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.484 -0.087 25434 3217 1 8 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.013 0.584 25434 3218 1 8 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.185 0.037 25434 3219 1 8 . 1 1 90 90 LYS H H 90 8.335 8.335 8.508 -0.173 25434 3220 1 8 . 1 1 91 91 THR N N 91 121.268 121.268 114.287 6.981 25434 3221 1 8 . 1 1 91 91 THR HA H 91 4.453 4.453 4.340 0.113 25434 3222 1 8 . 1 1 91 91 THR CA C 91 61.956 61.956 61.629 0.327 25434 3223 1 8 . 1 1 91 91 THR CB C 91 69.916 69.916 69.896 0.020 25434 3224 1 8 . 1 1 91 91 THR H H 91 8.047 8.047 8.027 0.020 25434 3225 1 9 . 1 1 5 5 GLU N N 5 123.289 123.289 120.092 3.197 25434 3226 1 9 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.380 0.154 25434 3227 1 9 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.919 6.321 25434 3228 1 9 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.622 2.603 25434 3229 1 9 . 1 1 5 5 GLU H H 5 8.538 8.538 8.776 -0.238 25434 3230 1 9 . 1 1 6 6 SER N N 6 115.506 115.506 112.292 3.214 25434 3231 1 9 . 1 1 6 6 SER HA H 6 4.552 4.552 4.146 0.406 25434 3232 1 9 . 1 1 6 6 SER CA C 6 58.231 58.231 59.180 -0.949 25434 3233 1 9 . 1 1 6 6 SER CB C 6 64.028 64.028 63.135 0.893 25434 3234 1 9 . 1 1 6 6 SER H H 6 8.435 8.435 8.440 -0.005 25434 3235 1 9 . 1 1 7 7 TYR N N 7 121.104 121.104 119.336 1.768 25434 3236 1 9 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.244 0.498 25434 3237 1 9 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.716 -1.105 25434 3238 1 9 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.016 1.160 25434 3239 1 9 . 1 1 7 7 TYR H H 7 8.137 8.137 7.943 0.194 25434 3240 1 9 . 1 1 8 8 SER N N 8 116.875 116.875 121.140 -4.265 25434 3241 1 9 . 1 1 8 8 SER HA H 8 4.539 4.539 4.471 0.068 25434 3242 1 9 . 1 1 8 8 SER CA C 8 58.327 58.327 57.866 0.461 25434 3243 1 9 . 1 1 8 8 SER CB C 8 63.958 63.958 64.175 -0.217 25434 3244 1 9 . 1 1 8 8 SER H H 8 8.364 8.364 8.237 0.127 25434 3245 1 9 . 1 1 9 9 GLN N N 9 120.999 120.999 117.938 3.061 25434 3246 1 9 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.929 -0.486 25434 3247 1 9 . 1 1 9 9 GLN CA C 9 56.678 56.678 54.258 2.420 25434 3248 1 9 . 1 1 9 9 GLN CB C 9 30.372 30.372 32.092 -1.720 25434 3249 1 9 . 1 1 9 9 GLN H H 9 8.414 8.414 6.900 1.514 25434 3250 1 9 . 1 1 10 10 TYR N N 10 121.815 121.815 118.760 3.055 25434 3251 1 9 . 1 1 10 10 TYR HA H 10 4.974 4.974 5.385 -0.411 25434 3252 1 9 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.768 0.615 25434 3253 1 9 . 1 1 10 10 TYR CB C 10 40.009 40.009 40.605 -0.596 25434 3254 1 9 . 1 1 10 10 TYR H H 10 8.549 8.549 8.277 0.272 25434 3255 1 9 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.508 0.108 25434 3256 1 9 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.719 -0.720 25434 3257 1 9 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.691 -0.488 25434 3258 1 9 . 1 1 12 12 VAL N N 12 120.450 120.450 118.889 1.561 25434 3259 1 9 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.364 -0.564 25434 3260 1 9 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.932 0.525 25434 3261 1 9 . 1 1 12 12 VAL CB C 12 32.251 32.251 32.204 0.047 25434 3262 1 9 . 1 1 12 12 VAL H H 12 8.074 8.074 8.301 -0.227 25434 3263 1 9 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.595 -0.577 25434 3264 1 9 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.365 0.815 25434 3265 1 9 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.444 0.188 25434 3266 1 9 . 1 1 14 14 ASP N N 14 120.579 120.579 120.678 -0.099 25434 3267 1 9 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.555 0.156 25434 3268 1 9 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.336 -0.262 25434 3269 1 9 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.986 -2.936 25434 3270 1 9 . 1 1 14 14 ASP H H 14 8.148 8.148 8.254 -0.106 25434 3271 1 9 . 1 1 15 15 VAL N N 15 120.884 120.884 124.233 -3.349 25434 3272 1 9 . 1 1 15 15 VAL HA H 15 2.170 2.170 2.144 0.026 25434 3273 1 9 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.244 -0.475 25434 3274 1 9 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.387 -0.490 25434 3275 1 9 . 1 1 15 15 VAL H H 15 8.161 8.161 8.347 -0.186 25434 3276 1 9 . 1 1 16 16 SER N N 16 116.885 116.885 116.212 0.673 25434 3277 1 9 . 1 1 16 16 SER HA H 16 4.294 4.294 4.277 0.017 25434 3278 1 9 . 1 1 16 16 SER CA C 16 61.011 61.011 60.443 0.568 25434 3279 1 9 . 1 1 16 16 SER CB C 16 63.004 63.004 62.482 0.522 25434 3280 1 9 . 1 1 16 16 SER H H 16 8.139 8.139 8.691 -0.552 25434 3281 1 9 . 1 1 17 17 THR N N 17 110.397 110.397 113.688 -3.291 25434 3282 1 9 . 1 1 17 17 THR HA H 17 4.558 4.558 4.421 0.137 25434 3283 1 9 . 1 1 17 17 THR CA C 17 61.987 61.987 61.886 0.101 25434 3284 1 9 . 1 1 17 17 THR CB C 17 70.459 70.459 69.564 0.895 25434 3285 1 9 . 1 1 17 17 THR H H 17 7.549 7.549 7.154 0.395 25434 3286 1 9 . 1 1 18 18 TYR N N 18 120.956 120.956 121.288 -0.332 25434 3287 1 9 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.493 0.675 25434 3288 1 9 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.227 -2.405 25434 3289 1 9 . 1 1 18 18 TYR CB C 18 37.740 37.740 38.916 -1.176 25434 3290 1 9 . 1 1 18 18 TYR H H 18 7.365 7.365 7.731 -0.366 25434 3291 1 9 . 1 1 19 19 GLN N N 19 119.670 119.670 119.743 -0.073 25434 3292 1 9 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.644 0.408 25434 3293 1 9 . 1 1 19 19 GLN CA C 19 54.386 54.386 55.066 -0.680 25434 3294 1 9 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.283 1.164 25434 3295 1 9 . 1 1 19 19 GLN H H 19 9.372 9.372 8.567 0.805 25434 3296 1 9 . 1 1 20 20 TYR N N 20 126.395 126.395 126.071 0.324 25434 3297 1 9 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.628 -0.526 25434 3298 1 9 . 1 1 20 20 TYR CA C 20 59.374 59.374 58.342 1.032 25434 3299 1 9 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.692 -0.666 25434 3300 1 9 . 1 1 20 20 TYR H H 20 9.433 9.433 8.887 0.546 25434 3301 1 9 . 1 1 21 21 ASP N N 21 128.962 128.962 121.812 7.150 25434 3302 1 9 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.814 0.066 25434 3303 1 9 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.312 -0.979 25434 3304 1 9 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.496 -0.164 25434 3305 1 9 . 1 1 21 21 ASP H H 21 8.128 8.128 8.022 0.106 25434 3306 1 9 . 1 1 22 22 GLU N N 22 124.636 124.636 124.673 -0.037 25434 3307 1 9 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.852 -0.054 25434 3308 1 9 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.881 -0.248 25434 3309 1 9 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.390 0.322 25434 3310 1 9 . 1 1 22 22 GLU H H 22 8.768 8.768 8.574 0.194 25434 3311 1 9 . 1 1 23 23 THR N N 23 112.402 112.402 113.854 -1.452 25434 3312 1 9 . 1 1 23 23 THR HA H 23 4.045 4.045 4.028 0.017 25434 3313 1 9 . 1 1 23 23 THR CA C 23 65.526 65.526 64.945 0.581 25434 3314 1 9 . 1 1 23 23 THR CB C 23 68.434 68.434 69.150 -0.716 25434 3315 1 9 . 1 1 23 23 THR H H 23 8.031 8.031 7.836 0.195 25434 3316 1 9 . 1 1 24 24 SER N N 24 113.712 113.712 113.752 -0.040 25434 3317 1 9 . 1 1 24 24 SER HA H 24 4.327 4.327 4.465 -0.138 25434 3318 1 9 . 1 1 24 24 SER CA C 24 59.046 59.046 58.636 0.410 25434 3319 1 9 . 1 1 24 24 SER CB C 24 65.024 65.024 65.368 -0.344 25434 3320 1 9 . 1 1 24 24 SER H H 24 7.503 7.503 7.453 0.050 25434 3321 1 9 . 1 1 25 25 GLY N N 25 111.227 111.227 110.402 0.825 25434 3322 1 9 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.472 0.154 25434 3323 1 9 . 1 1 25 25 GLY H H 25 8.304 8.304 8.277 0.027 25434 3324 1 9 . 1 1 26 26 TYR N N 26 117.907 117.907 117.389 0.518 25434 3325 1 9 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.714 0.673 25434 3326 1 9 . 1 1 26 26 TYR CA C 26 55.006 55.006 56.577 -1.571 25434 3327 1 9 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.476 -0.733 25434 3328 1 9 . 1 1 26 26 TYR H H 26 7.951 7.951 7.367 0.584 25434 3329 1 9 . 1 1 27 27 TYR N N 27 116.474 116.474 116.344 0.130 25434 3330 1 9 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.460 -0.102 25434 3331 1 9 . 1 1 27 27 TYR CA C 27 58.243 58.243 56.798 1.445 25434 3332 1 9 . 1 1 27 27 TYR CB C 27 41.412 41.412 41.577 -0.165 25434 3333 1 9 . 1 1 27 27 TYR H H 27 9.253 9.253 9.269 -0.016 25434 3334 1 9 . 1 1 28 28 TYR N N 28 122.756 122.756 122.252 0.504 25434 3335 1 9 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.485 0.293 25434 3336 1 9 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.472 1.511 25434 3337 1 9 . 1 1 28 28 TYR CB C 28 41.995 41.995 42.168 -0.173 25434 3338 1 9 . 1 1 28 28 TYR H H 28 9.686 9.686 9.531 0.155 25434 3339 1 9 . 1 1 29 29 ASP N N 29 125.994 125.994 125.866 0.128 25434 3340 1 9 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.344 0.408 25434 3341 1 9 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.395 -0.193 25434 3342 1 9 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.507 0.659 25434 3343 1 9 . 1 1 29 29 ASP H H 29 7.954 7.954 8.074 -0.120 25434 3344 1 9 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.916 0.154 25434 3345 1 9 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.194 -0.586 25434 3346 1 9 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.735 0.857 25434 3347 1 9 . 1 1 31 31 GLN N N 31 115.244 115.244 117.326 -2.082 25434 3348 1 9 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.127 0.105 25434 3349 1 9 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.963 0.554 25434 3350 1 9 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.193 0.112 25434 3351 1 9 . 1 1 31 31 GLN H H 31 7.989 7.989 8.251 -0.262 25434 3352 1 9 . 1 1 32 32 THR N N 32 104.641 104.641 109.759 -5.118 25434 3353 1 9 . 1 1 32 32 THR HA H 32 4.332 4.332 4.572 -0.240 25434 3354 1 9 . 1 1 32 32 THR CA C 32 61.768 61.768 61.731 0.037 25434 3355 1 9 . 1 1 32 32 THR CB C 32 71.212 71.212 70.859 0.353 25434 3356 1 9 . 1 1 32 32 THR H H 32 6.765 6.765 7.673 -0.908 25434 3357 1 9 . 1 1 33 33 GLY N N 33 111.318 111.318 110.715 0.603 25434 3358 1 9 . 1 1 33 33 GLY CA C 33 45.527 45.527 44.709 0.818 25434 3359 1 9 . 1 1 33 33 GLY H H 33 8.439 8.439 8.182 0.257 25434 3360 1 9 . 1 1 34 34 LEU N N 34 118.537 118.537 119.099 -0.562 25434 3361 1 9 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.684 -0.083 25434 3362 1 9 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.648 -0.627 25434 3363 1 9 . 1 1 34 34 LEU CB C 34 44.529 44.529 43.136 1.393 25434 3364 1 9 . 1 1 34 34 LEU H H 34 7.422 7.422 7.292 0.130 25434 3365 1 9 . 1 1 35 35 TYR N N 35 116.166 116.166 115.837 0.329 25434 3366 1 9 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.372 0.150 25434 3367 1 9 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.131 0.115 25434 3368 1 9 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.563 -1.687 25434 3369 1 9 . 1 1 35 35 TYR H H 35 8.692 8.692 8.934 -0.242 25434 3370 1 9 . 1 1 36 36 TYR N N 36 121.442 121.442 119.064 2.378 25434 3371 1 9 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.743 0.213 25434 3372 1 9 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.886 0.091 25434 3373 1 9 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.731 -0.017 25434 3374 1 9 . 1 1 36 36 TYR H H 36 9.745 9.745 9.582 0.163 25434 3375 1 9 . 1 1 37 37 ASP N N 37 127.129 127.129 121.938 5.191 25434 3376 1 9 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.792 0.449 25434 3377 1 9 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.468 -0.186 25434 3378 1 9 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.276 -1.417 25434 3379 1 9 . 1 1 37 37 ASP H H 37 8.029 8.029 7.594 0.435 25434 3380 1 9 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.460 -0.381 25434 3381 1 9 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.344 -0.615 25434 3382 1 9 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.571 -0.083 25434 3383 1 9 . 1 1 39 39 ASN N N 39 115.838 115.838 116.306 -0.468 25434 3384 1 9 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.599 0.079 25434 3385 1 9 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.232 1.487 25434 3386 1 9 . 1 1 39 39 ASN CB C 39 38.987 38.987 38.804 0.183 25434 3387 1 9 . 1 1 39 39 ASN H H 39 8.232 8.232 8.258 -0.026 25434 3388 1 9 . 1 1 40 40 SER N N 40 112.476 112.476 114.416 -1.940 25434 3389 1 9 . 1 1 40 40 SER HA H 40 4.346 4.346 4.673 -0.327 25434 3390 1 9 . 1 1 40 40 SER CA C 40 58.832 58.832 57.384 1.448 25434 3391 1 9 . 1 1 40 40 SER CB C 40 64.576 64.576 63.932 0.644 25434 3392 1 9 . 1 1 40 40 SER H H 40 7.371 7.371 7.705 -0.334 25434 3393 1 9 . 1 1 41 41 GLN N N 41 114.329 114.329 122.449 -8.120 25434 3394 1 9 . 1 1 41 41 GLN HA H 41 3.780 3.780 4.002 -0.222 25434 3395 1 9 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.835 1.327 25434 3396 1 9 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.920 -2.943 25434 3397 1 9 . 1 1 41 41 GLN H H 41 8.203 8.203 8.655 -0.452 25434 3398 1 9 . 1 1 42 42 TYR N N 42 115.202 115.202 117.912 -2.710 25434 3399 1 9 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.854 0.667 25434 3400 1 9 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.940 -1.304 25434 3401 1 9 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.186 3.195 25434 3402 1 9 . 1 1 42 42 TYR H H 42 7.621 7.621 7.658 -0.037 25434 3403 1 9 . 1 1 43 43 TYR N N 43 118.608 118.608 125.186 -6.578 25434 3404 1 9 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.762 0.933 25434 3405 1 9 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.898 -2.577 25434 3406 1 9 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.565 2.293 25434 3407 1 9 . 1 1 43 43 TYR H H 43 9.724 9.724 8.932 0.792 25434 3408 1 9 . 1 1 44 44 TYR N N 44 121.727 121.727 123.565 -1.838 25434 3409 1 9 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.877 0.305 25434 3410 1 9 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.225 0.323 25434 3411 1 9 . 1 1 44 44 TYR CB C 44 42.263 42.263 40.947 1.316 25434 3412 1 9 . 1 1 44 44 TYR H H 44 9.594 9.594 9.446 0.148 25434 3413 1 9 . 1 1 45 45 ASN N N 45 125.423 125.423 126.617 -1.194 25434 3414 1 9 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.816 0.189 25434 3415 1 9 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.471 0.449 25434 3416 1 9 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.805 0.466 25434 3417 1 9 . 1 1 45 45 ASN H H 45 8.244 8.244 8.616 -0.372 25434 3418 1 9 . 1 1 46 46 ALA N N 46 126.039 126.039 128.402 -2.363 25434 3419 1 9 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.559 0.218 25434 3420 1 9 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.954 -1.181 25434 3421 1 9 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.401 0.754 25434 3422 1 9 . 1 1 46 46 ALA H H 46 8.974 8.974 8.454 0.520 25434 3423 1 9 . 1 1 47 47 GLN N N 47 116.850 116.850 119.035 -2.185 25434 3424 1 9 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.036 0.258 25434 3425 1 9 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.351 0.277 25434 3426 1 9 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.840 -0.317 25434 3427 1 9 . 1 1 47 47 GLN H H 47 8.349 8.349 8.733 -0.384 25434 3428 1 9 . 1 1 48 48 SER N N 48 111.872 111.872 111.027 0.845 25434 3429 1 9 . 1 1 48 48 SER HA H 48 4.474 4.474 4.594 -0.120 25434 3430 1 9 . 1 1 48 48 SER CA C 48 57.580 57.580 57.570 0.010 25434 3431 1 9 . 1 1 48 48 SER CB C 48 64.262 64.262 64.718 -0.456 25434 3432 1 9 . 1 1 48 48 SER H H 48 7.544 7.544 7.479 0.065 25434 3433 1 9 . 1 1 49 49 GLN N N 49 118.063 118.063 117.999 0.064 25434 3434 1 9 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.662 0.059 25434 3435 1 9 . 1 1 49 49 GLN CA C 49 57.175 57.175 56.945 0.230 25434 3436 1 9 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.508 -0.574 25434 3437 1 9 . 1 1 49 49 GLN H H 49 7.969 7.969 7.674 0.295 25434 3438 1 9 . 1 1 50 50 GLN N N 50 116.254 116.254 117.346 -1.092 25434 3439 1 9 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.734 0.085 25434 3440 1 9 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.178 0.323 25434 3441 1 9 . 1 1 50 50 GLN CB C 50 33.410 33.410 32.052 1.358 25434 3442 1 9 . 1 1 50 50 GLN H H 50 7.180 7.180 7.460 -0.280 25434 3443 1 9 . 1 1 51 51 TYR N N 51 121.463 121.463 123.031 -1.568 25434 3444 1 9 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.731 -0.051 25434 3445 1 9 . 1 1 51 51 TYR CA C 51 58.170 58.170 58.005 0.165 25434 3446 1 9 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.028 0.038 25434 3447 1 9 . 1 1 51 51 TYR H H 51 8.931 8.931 8.921 0.010 25434 3448 1 9 . 1 1 52 52 LEU N N 52 122.429 122.429 121.724 0.705 25434 3449 1 9 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.192 0.356 25434 3450 1 9 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.734 0.699 25434 3451 1 9 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.575 1.474 25434 3452 1 9 . 1 1 52 52 LEU H H 52 9.726 9.726 9.291 0.435 25434 3453 1 9 . 1 1 53 53 TYR N N 53 117.639 117.639 114.099 3.540 25434 3454 1 9 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.431 0.446 25434 3455 1 9 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.672 0.045 25434 3456 1 9 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.659 0.468 25434 3457 1 9 . 1 1 53 53 TYR H H 53 9.533 9.533 8.973 0.560 25434 3458 1 9 . 1 1 54 54 TRP N N 54 122.206 122.206 123.001 -0.795 25434 3459 1 9 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.947 -0.441 25434 3460 1 9 . 1 1 54 54 TRP CA C 54 56.813 56.813 55.685 1.128 25434 3461 1 9 . 1 1 54 54 TRP CB C 54 30.348 30.348 32.285 -1.937 25434 3462 1 9 . 1 1 54 54 TRP H H 54 9.253 9.253 9.041 0.211 25434 3463 1 9 . 1 1 55 55 ASP N N 55 128.978 128.978 124.970 4.008 25434 3464 1 9 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.616 0.079 25434 3465 1 9 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.939 -1.056 25434 3466 1 9 . 1 1 55 55 ASP CB C 55 42.843 42.843 40.012 2.831 25434 3467 1 9 . 1 1 55 55 ASP H H 55 8.031 8.031 7.304 0.727 25434 3468 1 9 . 1 1 56 56 GLY N N 56 111.521 111.521 109.134 2.387 25434 3469 1 9 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.064 0.711 25434 3470 1 9 . 1 1 56 56 GLY H H 56 8.548 8.548 8.026 0.522 25434 3471 1 9 . 1 1 57 57 GLU N N 57 120.202 120.202 119.991 0.211 25434 3472 1 9 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.074 0.219 25434 3473 1 9 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.121 0.197 25434 3474 1 9 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.673 0.210 25434 3475 1 9 . 1 1 57 57 GLU H H 57 8.188 8.188 8.209 -0.021 25434 3476 1 9 . 1 1 58 58 ARG N N 58 116.912 116.912 117.020 -0.108 25434 3477 1 9 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.184 -0.053 25434 3478 1 9 . 1 1 58 58 ARG CA C 58 56.442 56.442 56.306 0.136 25434 3479 1 9 . 1 1 58 58 ARG CB C 58 31.887 31.887 30.826 1.061 25434 3480 1 9 . 1 1 58 58 ARG H H 58 7.636 7.636 7.480 0.156 25434 3481 1 9 . 1 1 59 59 ARG N N 59 116.563 116.563 116.914 -0.351 25434 3482 1 9 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.503 -0.266 25434 3483 1 9 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.671 0.061 25434 3484 1 9 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.519 -0.885 25434 3485 1 9 . 1 1 59 59 ARG H H 59 7.878 7.878 7.798 0.080 25434 3486 1 9 . 1 1 60 60 THR N N 60 109.170 109.170 111.619 -2.449 25434 3487 1 9 . 1 1 60 60 THR HA H 60 4.516 4.516 4.531 -0.015 25434 3488 1 9 . 1 1 60 60 THR CA C 60 60.050 60.050 58.876 1.174 25434 3489 1 9 . 1 1 60 60 THR CB C 60 69.758 69.758 70.756 -0.998 25434 3490 1 9 . 1 1 60 60 THR H H 60 6.591 6.591 6.965 -0.374 25434 3491 1 9 . 1 1 61 61 TYR N N 61 120.491 120.491 119.823 0.668 25434 3492 1 9 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.047 0.028 25434 3493 1 9 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.564 0.829 25434 3494 1 9 . 1 1 61 61 TYR CB C 61 40.381 40.381 40.486 -0.105 25434 3495 1 9 . 1 1 61 61 TYR H H 61 7.474 7.474 8.262 -0.788 25434 3496 1 9 . 1 1 62 62 VAL N N 62 123.115 123.115 118.162 4.953 25434 3497 1 9 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.601 0.043 25434 3498 1 9 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.735 0.875 25434 3499 1 9 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.272 0.146 25434 3500 1 9 . 1 1 62 62 VAL H H 62 9.176 9.176 8.545 0.631 25434 3501 1 9 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.631 0.133 25434 3502 1 9 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.242 1.399 25434 3503 1 9 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.749 0.809 25434 3504 1 9 . 1 1 64 64 ALA N N 64 126.032 126.032 127.989 -1.957 25434 3505 1 9 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.699 -0.054 25434 3506 1 9 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.096 0.030 25434 3507 1 9 . 1 1 64 64 ALA CB C 64 19.752 19.752 17.473 2.279 25434 3508 1 9 . 1 1 64 64 ALA H H 64 8.708 8.708 8.413 0.295 25434 3509 1 9 . 1 1 65 65 LEU N N 65 120.884 120.884 120.073 0.811 25434 3510 1 9 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.087 0.404 25434 3511 1 9 . 1 1 65 65 LEU CA C 65 55.656 55.656 57.276 -1.620 25434 3512 1 9 . 1 1 65 65 LEU CB C 65 42.638 42.638 42.320 0.318 25434 3513 1 9 . 1 1 65 65 LEU H H 65 8.469 8.469 8.202 0.267 25434 3514 1 9 . 1 1 66 66 GLU N N 66 115.912 115.912 116.505 -0.593 25434 3515 1 9 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.353 0.193 25434 3516 1 9 . 1 1 66 66 GLU CA C 66 55.780 55.780 55.935 -0.155 25434 3517 1 9 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.328 2.699 25434 3518 1 9 . 1 1 66 66 GLU H H 66 8.328 8.328 8.375 -0.047 25434 3519 1 9 . 1 1 67 67 GLN N N 67 120.380 120.380 118.864 1.516 25434 3520 1 9 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.061 0.421 25434 3521 1 9 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.822 -1.051 25434 3522 1 9 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.565 2.175 25434 3523 1 9 . 1 1 67 67 GLN H H 67 8.478 8.478 8.508 -0.030 25434 3524 1 9 . 1 1 68 68 SER N N 68 116.287 116.287 118.597 -2.310 25434 3525 1 9 . 1 1 68 68 SER HA H 68 4.575 4.575 4.540 0.035 25434 3526 1 9 . 1 1 68 68 SER CA C 68 58.309 58.309 58.211 0.098 25434 3527 1 9 . 1 1 68 68 SER CB C 68 64.119 64.119 63.733 0.386 25434 3528 1 9 . 1 1 68 68 SER H H 68 8.370 8.370 8.141 0.229 25434 3529 1 9 . 1 1 69 69 ALA N N 69 125.968 125.968 129.743 -3.775 25434 3530 1 9 . 1 1 69 69 ALA HA H 69 4.443 4.443 3.966 0.477 25434 3531 1 9 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.940 0.042 25434 3532 1 9 . 1 1 69 69 ALA CB C 69 19.365 19.365 19.142 0.223 25434 3533 1 9 . 1 1 69 69 ALA H H 69 8.533 8.533 8.379 0.154 25434 3534 1 9 . 1 1 70 70 ASP N N 70 118.262 118.262 118.954 -0.692 25434 3535 1 9 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.727 -0.045 25434 3536 1 9 . 1 1 70 70 ASP CA C 70 54.469 54.469 53.726 0.743 25434 3537 1 9 . 1 1 70 70 ASP CB C 70 41.379 41.379 42.619 -1.240 25434 3538 1 9 . 1 1 70 70 ASP H H 70 8.300 8.300 8.397 -0.097 25434 3539 1 9 . 1 1 71 71 GLY N N 71 108.495 108.495 106.997 1.498 25434 3540 1 9 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.673 0.149 25434 3541 1 9 . 1 1 71 71 GLY H H 71 8.291 8.291 8.270 0.021 25434 3542 1 9 . 1 1 72 72 HIS N N 72 118.240 118.240 118.327 -0.087 25434 3543 1 9 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.394 0.373 25434 3544 1 9 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.805 -1.959 25434 3545 1 9 . 1 1 72 72 HIS CB C 72 29.363 29.363 30.407 -1.044 25434 3546 1 9 . 1 1 72 72 HIS H H 72 8.354 8.354 8.679 -0.325 25434 3547 1 9 . 1 1 73 73 LYS N N 73 121.591 121.591 117.672 3.919 25434 3548 1 9 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.480 -0.037 25434 3549 1 9 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.446 1.155 25434 3550 1 9 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.700 -0.567 25434 3551 1 9 . 1 1 73 73 LYS H H 73 8.457 8.457 7.740 0.717 25434 3552 1 9 . 1 1 74 74 GLU N N 74 122.169 122.169 119.164 3.005 25434 3553 1 9 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.723 -0.229 25434 3554 1 9 . 1 1 74 74 GLU CA C 74 56.565 56.565 55.225 1.340 25434 3555 1 9 . 1 1 74 74 GLU CB C 74 30.327 30.327 32.537 -2.210 25434 3556 1 9 . 1 1 74 74 GLU H H 74 8.669 8.669 8.610 0.059 25434 3557 1 9 . 1 1 75 75 THR N N 75 114.560 114.560 114.310 0.250 25434 3558 1 9 . 1 1 75 75 THR HA H 75 4.463 4.463 4.196 0.267 25434 3559 1 9 . 1 1 75 75 THR CA C 75 61.998 61.998 64.321 -2.323 25434 3560 1 9 . 1 1 75 75 THR CB C 75 69.901 69.901 69.181 0.720 25434 3561 1 9 . 1 1 75 75 THR H H 75 8.313 8.313 8.606 -0.293 25434 3562 1 9 . 1 1 76 76 GLY N N 76 110.986 110.986 109.640 1.346 25434 3563 1 9 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.508 -0.114 25434 3564 1 9 . 1 1 76 76 GLY H H 76 8.493 8.493 7.991 0.502 25434 3565 1 9 . 1 1 77 77 ALA N N 77 123.316 123.316 125.785 -2.469 25434 3566 1 9 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.683 -0.049 25434 3567 1 9 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.641 -0.030 25434 3568 1 9 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.747 -1.276 25434 3569 1 9 . 1 1 77 77 ALA H H 77 8.025 8.025 8.228 -0.203 25434 3570 1 9 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.487 0.241 25434 3571 1 9 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.662 0.307 25434 3572 1 9 . 1 1 79 79 SER N N 79 116.876 116.876 118.254 -1.378 25434 3573 1 9 . 1 1 79 79 SER HA H 79 4.543 4.543 4.219 0.324 25434 3574 1 9 . 1 1 79 79 SER CA C 79 58.548 58.548 59.303 -0.755 25434 3575 1 9 . 1 1 79 79 SER CB C 79 63.972 63.972 62.716 1.256 25434 3576 1 9 . 1 1 79 79 SER H H 79 8.627 8.627 8.341 0.286 25434 3577 1 9 . 1 1 80 80 LYS N N 80 122.282 122.282 122.792 -0.510 25434 3578 1 9 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.385 0.012 25434 3579 1 9 . 1 1 80 80 LYS CA C 80 56.628 56.628 57.104 -0.476 25434 3580 1 9 . 1 1 80 80 LYS CB C 80 33.268 33.268 33.659 -0.391 25434 3581 1 9 . 1 1 80 80 LYS H H 80 8.359 8.359 8.453 -0.094 25434 3582 1 9 . 1 1 81 81 GLU N N 81 121.390 121.390 115.418 5.972 25434 3583 1 9 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.588 -0.201 25434 3584 1 9 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.353 0.420 25434 3585 1 9 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.967 -0.593 25434 3586 1 9 . 1 1 81 81 GLU H H 81 8.521 8.521 8.232 0.289 25434 3587 1 9 . 1 1 82 82 GLY N N 82 109.657 109.657 109.095 0.562 25434 3588 1 9 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.459 0.274 25434 3589 1 9 . 1 1 82 82 GLY H H 82 8.491 8.491 8.045 0.446 25434 3590 1 9 . 1 1 83 83 LYS N N 83 120.424 120.424 122.423 -1.999 25434 3591 1 9 . 1 1 83 83 LYS HA H 83 4.395 4.395 3.995 0.400 25434 3592 1 9 . 1 1 83 83 LYS CA C 83 56.900 56.900 58.367 -1.467 25434 3593 1 9 . 1 1 83 83 LYS CB C 83 33.222 33.222 31.442 1.780 25434 3594 1 9 . 1 1 83 83 LYS H H 83 8.237 8.237 8.494 -0.257 25434 3595 1 9 . 1 1 84 84 GLU N N 84 120.758 120.758 119.915 0.843 25434 3596 1 9 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.155 0.223 25434 3597 1 9 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.469 -1.734 25434 3598 1 9 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.251 1.351 25434 3599 1 9 . 1 1 84 84 GLU H H 84 8.571 8.571 8.769 -0.198 25434 3600 1 9 . 1 1 85 85 LYS N N 85 122.155 122.155 116.607 5.548 25434 3601 1 9 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.610 -0.199 25434 3602 1 9 . 1 1 85 85 LYS CA C 85 56.321 56.321 54.777 1.544 25434 3603 1 9 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.773 0.420 25434 3604 1 9 . 1 1 85 85 LYS H H 85 8.558 8.558 7.443 1.115 25434 3605 1 9 . 1 1 86 86 LYS N N 86 122.185 122.185 118.667 3.518 25434 3606 1 9 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.867 0.505 25434 3607 1 9 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.270 -0.601 25434 3608 1 9 . 1 1 86 86 LYS CB C 86 33.268 33.268 30.175 3.093 25434 3609 1 9 . 1 1 86 86 LYS H H 86 8.397 8.397 8.070 0.327 25434 3610 1 9 . 1 1 87 87 GLU N N 87 124.443 124.443 112.704 11.739 25434 3611 1 9 . 1 1 87 87 GLU HA H 87 4.524 4.524 3.867 0.657 25434 3612 1 9 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.544 0.713 25434 3613 1 9 . 1 1 87 87 GLU CB C 87 33.559 33.559 27.516 6.043 25434 3614 1 9 . 1 1 87 87 GLU H H 87 8.175 8.175 8.121 0.054 25434 3615 1 9 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.623 0.164 25434 3616 1 9 . 1 1 89 89 HIS CA C 89 55.754 55.754 55.794 -0.040 25434 3617 1 9 . 1 1 89 89 HIS CB C 89 30.327 30.327 31.822 -1.495 25434 3618 1 9 . 1 1 90 90 LYS N N 90 122.178 122.178 121.848 0.330 25434 3619 1 9 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.613 -0.216 25434 3620 1 9 . 1 1 90 90 LYS CA C 90 56.597 56.597 55.839 0.758 25434 3621 1 9 . 1 1 90 90 LYS CB C 90 33.222 33.222 34.633 -1.411 25434 3622 1 9 . 1 1 90 90 LYS H H 90 8.335 8.335 7.572 0.763 25434 3623 1 9 . 1 1 91 91 THR N N 91 121.268 121.268 119.336 1.932 25434 3624 1 9 . 1 1 91 91 THR HA H 91 4.453 4.453 4.621 -0.168 25434 3625 1 9 . 1 1 91 91 THR CA C 91 61.956 61.956 61.817 0.139 25434 3626 1 9 . 1 1 91 91 THR CB C 91 69.916 69.916 68.694 1.222 25434 3627 1 9 . 1 1 91 91 THR H H 91 8.047 8.047 8.630 -0.583 25434 3628 1 10 . 1 1 5 5 GLU N N 5 123.289 123.289 123.843 -0.554 25434 3629 1 10 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.351 0.183 25434 3630 1 10 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.164 7.075 25434 3631 1 10 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.027 2.198 25434 3632 1 10 . 1 1 5 5 GLU H H 5 8.538 8.538 8.851 -0.313 25434 3633 1 10 . 1 1 6 6 SER N N 6 115.506 115.506 114.157 1.349 25434 3634 1 10 . 1 1 6 6 SER HA H 6 4.552 4.552 4.267 0.285 25434 3635 1 10 . 1 1 6 6 SER CA C 6 58.231 58.231 59.062 -0.831 25434 3636 1 10 . 1 1 6 6 SER CB C 6 64.028 64.028 61.895 2.133 25434 3637 1 10 . 1 1 6 6 SER H H 6 8.435 8.435 8.305 0.131 25434 3638 1 10 . 1 1 7 7 TYR N N 7 121.104 121.104 120.035 1.069 25434 3639 1 10 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.743 -0.001 25434 3640 1 10 . 1 1 7 7 TYR CA C 7 57.611 57.611 57.624 -0.013 25434 3641 1 10 . 1 1 7 7 TYR CB C 7 39.176 39.176 40.056 -0.881 25434 3642 1 10 . 1 1 7 7 TYR H H 7 8.137 8.137 7.751 0.386 25434 3643 1 10 . 1 1 8 8 SER N N 8 116.875 116.875 115.783 1.092 25434 3644 1 10 . 1 1 8 8 SER HA H 8 4.539 4.539 4.362 0.177 25434 3645 1 10 . 1 1 8 8 SER CA C 8 58.327 58.327 58.942 -0.615 25434 3646 1 10 . 1 1 8 8 SER CB C 8 63.958 63.958 63.605 0.353 25434 3647 1 10 . 1 1 8 8 SER H H 8 8.364 8.364 8.830 -0.466 25434 3648 1 10 . 1 1 9 9 GLN N N 9 120.999 120.999 120.111 0.888 25434 3649 1 10 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.117 0.326 25434 3650 1 10 . 1 1 9 9 GLN CA C 9 56.678 56.678 57.757 -1.079 25434 3651 1 10 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.550 0.822 25434 3652 1 10 . 1 1 9 9 GLN H H 9 8.414 8.414 8.783 -0.369 25434 3653 1 10 . 1 1 10 10 TYR N N 10 121.815 121.815 116.511 5.304 25434 3654 1 10 . 1 1 10 10 TYR HA H 10 4.974 4.974 5.002 -0.028 25434 3655 1 10 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.699 0.684 25434 3656 1 10 . 1 1 10 10 TYR CB C 10 40.009 40.009 40.745 -0.737 25434 3657 1 10 . 1 1 10 10 TYR H H 10 8.549 8.549 7.708 0.841 25434 3658 1 10 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.473 0.143 25434 3659 1 10 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.917 -0.918 25434 3660 1 10 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.758 -0.555 25434 3661 1 10 . 1 1 12 12 VAL N N 12 120.450 120.450 118.561 1.889 25434 3662 1 10 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.478 -0.678 25434 3663 1 10 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.111 0.346 25434 3664 1 10 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.886 0.365 25434 3665 1 10 . 1 1 12 12 VAL H H 12 8.074 8.074 8.296 -0.222 25434 3666 1 10 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.540 -0.522 25434 3667 1 10 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.567 0.613 25434 3668 1 10 . 1 1 13 13 PRO CB C 13 32.632 32.632 33.111 -0.479 25434 3669 1 10 . 1 1 14 14 ASP N N 14 120.579 120.579 117.944 2.635 25434 3670 1 10 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.690 0.021 25434 3671 1 10 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.444 -0.370 25434 3672 1 10 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.161 -2.111 25434 3673 1 10 . 1 1 14 14 ASP H H 14 8.148 8.148 8.225 -0.077 25434 3674 1 10 . 1 1 15 15 VAL N N 15 120.884 120.884 121.036 -0.152 25434 3675 1 10 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.887 0.283 25434 3676 1 10 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.930 -1.161 25434 3677 1 10 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.535 -0.638 25434 3678 1 10 . 1 1 15 15 VAL H H 15 8.161 8.161 8.170 -0.009 25434 3679 1 10 . 1 1 16 16 SER N N 16 116.885 116.885 115.019 1.866 25434 3680 1 10 . 1 1 16 16 SER HA H 16 4.294 4.294 4.251 0.043 25434 3681 1 10 . 1 1 16 16 SER CA C 16 61.011 61.011 60.195 0.816 25434 3682 1 10 . 1 1 16 16 SER CB C 16 63.004 63.004 62.145 0.860 25434 3683 1 10 . 1 1 16 16 SER H H 16 8.139 8.139 8.236 -0.097 25434 3684 1 10 . 1 1 17 17 THR N N 17 110.397 110.397 110.506 -0.109 25434 3685 1 10 . 1 1 17 17 THR HA H 17 4.558 4.558 4.521 0.037 25434 3686 1 10 . 1 1 17 17 THR CA C 17 61.987 61.987 61.484 0.503 25434 3687 1 10 . 1 1 17 17 THR CB C 17 70.459 70.459 69.769 0.690 25434 3688 1 10 . 1 1 17 17 THR H H 17 7.549 7.549 7.542 0.007 25434 3689 1 10 . 1 1 18 18 TYR N N 18 120.956 120.956 122.719 -1.763 25434 3690 1 10 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.599 0.569 25434 3691 1 10 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.222 -2.399 25434 3692 1 10 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.248 -1.508 25434 3693 1 10 . 1 1 18 18 TYR H H 18 7.365 7.365 7.770 -0.405 25434 3694 1 10 . 1 1 19 19 GLN N N 19 119.670 119.670 119.608 0.062 25434 3695 1 10 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.700 0.352 25434 3696 1 10 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.402 -0.016 25434 3697 1 10 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.083 1.364 25434 3698 1 10 . 1 1 19 19 GLN H H 19 9.372 9.372 8.801 0.571 25434 3699 1 10 . 1 1 20 20 TYR N N 20 126.395 126.395 128.172 -1.777 25434 3700 1 10 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.249 -0.147 25434 3701 1 10 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.033 0.341 25434 3702 1 10 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.800 0.226 25434 3703 1 10 . 1 1 20 20 TYR H H 20 9.433 9.433 8.951 0.482 25434 3704 1 10 . 1 1 21 21 ASP N N 21 128.962 128.962 127.129 1.833 25434 3705 1 10 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.783 0.097 25434 3706 1 10 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.180 0.153 25434 3707 1 10 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.003 1.329 25434 3708 1 10 . 1 1 21 21 ASP H H 21 8.128 8.128 7.820 0.308 25434 3709 1 10 . 1 1 22 22 GLU N N 22 124.636 124.636 122.805 1.831 25434 3710 1 10 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.698 0.100 25434 3711 1 10 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.424 0.209 25434 3712 1 10 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.047 0.665 25434 3713 1 10 . 1 1 22 22 GLU H H 22 8.768 8.768 8.566 0.202 25434 3714 1 10 . 1 1 23 23 THR N N 23 112.402 112.402 114.160 -1.758 25434 3715 1 10 . 1 1 23 23 THR HA H 23 4.045 4.045 4.046 -0.001 25434 3716 1 10 . 1 1 23 23 THR CA C 23 65.526 65.526 64.638 0.888 25434 3717 1 10 . 1 1 23 23 THR CB C 23 68.434 68.434 69.068 -0.634 25434 3718 1 10 . 1 1 23 23 THR H H 23 8.031 8.031 8.081 -0.050 25434 3719 1 10 . 1 1 24 24 SER N N 24 113.712 113.712 113.599 0.113 25434 3720 1 10 . 1 1 24 24 SER HA H 24 4.327 4.327 4.618 -0.291 25434 3721 1 10 . 1 1 24 24 SER CA C 24 59.046 59.046 58.466 0.580 25434 3722 1 10 . 1 1 24 24 SER CB C 24 65.024 65.024 66.042 -1.018 25434 3723 1 10 . 1 1 24 24 SER H H 24 7.503 7.503 7.800 -0.297 25434 3724 1 10 . 1 1 25 25 GLY N N 25 111.227 111.227 109.036 2.191 25434 3725 1 10 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.343 0.284 25434 3726 1 10 . 1 1 25 25 GLY H H 25 8.304 8.304 8.180 0.124 25434 3727 1 10 . 1 1 26 26 TYR N N 26 117.907 117.907 118.923 -1.016 25434 3728 1 10 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.953 0.434 25434 3729 1 10 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.666 -2.660 25434 3730 1 10 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.502 -0.759 25434 3731 1 10 . 1 1 26 26 TYR H H 26 7.951 7.951 7.305 0.646 25434 3732 1 10 . 1 1 27 27 TYR N N 27 116.474 116.474 117.324 -0.850 25434 3733 1 10 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.006 0.352 25434 3734 1 10 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.253 0.990 25434 3735 1 10 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.334 1.078 25434 3736 1 10 . 1 1 27 27 TYR H H 27 9.253 9.253 9.591 -0.338 25434 3737 1 10 . 1 1 28 28 TYR N N 28 122.756 122.756 126.202 -3.446 25434 3738 1 10 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.361 0.417 25434 3739 1 10 . 1 1 28 28 TYR CA C 28 56.983 56.983 56.599 0.384 25434 3740 1 10 . 1 1 28 28 TYR CB C 28 41.995 41.995 40.646 1.349 25434 3741 1 10 . 1 1 28 28 TYR H H 28 9.686 9.686 8.809 0.877 25434 3742 1 10 . 1 1 29 29 ASP N N 29 125.994 125.994 126.493 -0.499 25434 3743 1 10 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.104 0.648 25434 3744 1 10 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.347 -0.145 25434 3745 1 10 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.026 1.139 25434 3746 1 10 . 1 1 29 29 ASP H H 29 7.954 7.954 8.080 -0.126 25434 3747 1 10 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.957 0.113 25434 3748 1 10 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.356 -0.748 25434 3749 1 10 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.770 0.822 25434 3750 1 10 . 1 1 31 31 GLN N N 31 115.244 115.244 117.328 -2.084 25434 3751 1 10 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.113 0.119 25434 3752 1 10 . 1 1 31 31 GLN CA C 31 58.517 58.517 58.008 0.509 25434 3753 1 10 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.191 0.114 25434 3754 1 10 . 1 1 31 31 GLN H H 31 7.989 7.989 8.198 -0.209 25434 3755 1 10 . 1 1 32 32 THR N N 32 104.641 104.641 106.622 -1.981 25434 3756 1 10 . 1 1 32 32 THR HA H 32 4.332 4.332 4.354 -0.022 25434 3757 1 10 . 1 1 32 32 THR CA C 32 61.768 61.768 62.434 -0.666 25434 3758 1 10 . 1 1 32 32 THR CB C 32 71.212 71.212 72.139 -0.927 25434 3759 1 10 . 1 1 32 32 THR H H 32 6.765 6.765 7.617 -0.852 25434 3760 1 10 . 1 1 33 33 GLY N N 33 111.318 111.318 111.951 -0.633 25434 3761 1 10 . 1 1 33 33 GLY CA C 33 45.527 45.527 44.768 0.759 25434 3762 1 10 . 1 1 33 33 GLY H H 33 8.439 8.439 8.080 0.359 25434 3763 1 10 . 1 1 34 34 LEU N N 34 118.537 118.537 118.490 0.047 25434 3764 1 10 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.715 -0.114 25434 3765 1 10 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.072 -0.051 25434 3766 1 10 . 1 1 34 34 LEU CB C 34 44.529 44.529 43.504 1.025 25434 3767 1 10 . 1 1 34 34 LEU H H 34 7.422 7.422 6.846 0.576 25434 3768 1 10 . 1 1 35 35 TYR N N 35 116.166 116.166 115.530 0.636 25434 3769 1 10 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.516 0.006 25434 3770 1 10 . 1 1 35 35 TYR CA C 35 57.246 57.246 56.909 0.337 25434 3771 1 10 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.847 -1.971 25434 3772 1 10 . 1 1 35 35 TYR H H 35 8.692 8.692 8.794 -0.102 25434 3773 1 10 . 1 1 36 36 TYR N N 36 121.442 121.442 119.540 1.902 25434 3774 1 10 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.646 0.310 25434 3775 1 10 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.286 -0.309 25434 3776 1 10 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.434 0.280 25434 3777 1 10 . 1 1 36 36 TYR H H 36 9.745 9.745 9.569 0.176 25434 3778 1 10 . 1 1 37 37 ASP N N 37 127.129 127.129 121.626 5.503 25434 3779 1 10 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.066 0.175 25434 3780 1 10 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.873 -0.591 25434 3781 1 10 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.508 -1.649 25434 3782 1 10 . 1 1 37 37 ASP H H 37 8.029 8.029 7.099 0.930 25434 3783 1 10 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.221 -0.142 25434 3784 1 10 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.874 -1.145 25434 3785 1 10 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.362 0.126 25434 3786 1 10 . 1 1 39 39 ASN N N 39 115.838 115.838 115.539 0.299 25434 3787 1 10 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.606 0.071 25434 3788 1 10 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.571 1.148 25434 3789 1 10 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.139 -0.152 25434 3790 1 10 . 1 1 39 39 ASN H H 39 8.232 8.232 8.678 -0.446 25434 3791 1 10 . 1 1 40 40 SER N N 40 112.476 112.476 116.947 -4.471 25434 3792 1 10 . 1 1 40 40 SER HA H 40 4.346 4.346 4.610 -0.264 25434 3793 1 10 . 1 1 40 40 SER CA C 40 58.832 58.832 57.444 1.387 25434 3794 1 10 . 1 1 40 40 SER CB C 40 64.576 64.576 63.485 1.091 25434 3795 1 10 . 1 1 40 40 SER H H 40 7.371 7.371 8.018 -0.647 25434 3796 1 10 . 1 1 41 41 GLN N N 41 114.329 114.329 122.829 -8.500 25434 3797 1 10 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.831 -0.051 25434 3798 1 10 . 1 1 41 41 GLN CA C 41 58.162 58.162 57.077 1.085 25434 3799 1 10 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.809 -2.832 25434 3800 1 10 . 1 1 41 41 GLN H H 41 8.203 8.203 8.537 -0.334 25434 3801 1 10 . 1 1 42 42 TYR N N 42 115.202 115.202 117.532 -2.330 25434 3802 1 10 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.886 0.635 25434 3803 1 10 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.310 -0.674 25434 3804 1 10 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.808 3.573 25434 3805 1 10 . 1 1 42 42 TYR H H 42 7.621 7.621 7.566 0.055 25434 3806 1 10 . 1 1 43 43 TYR N N 43 118.608 118.608 124.789 -6.181 25434 3807 1 10 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.726 0.969 25434 3808 1 10 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.084 -1.763 25434 3809 1 10 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.741 2.117 25434 3810 1 10 . 1 1 43 43 TYR H H 43 9.724 9.724 8.988 0.736 25434 3811 1 10 . 1 1 44 44 TYR N N 44 121.727 121.727 121.227 0.500 25434 3812 1 10 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.887 0.295 25434 3813 1 10 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.170 0.378 25434 3814 1 10 . 1 1 44 44 TYR CB C 44 42.263 42.263 41.246 1.017 25434 3815 1 10 . 1 1 44 44 TYR H H 44 9.594 9.594 9.342 0.252 25434 3816 1 10 . 1 1 45 45 ASN N N 45 125.423 125.423 126.825 -1.402 25434 3817 1 10 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.672 0.333 25434 3818 1 10 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.711 0.209 25434 3819 1 10 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.110 1.161 25434 3820 1 10 . 1 1 45 45 ASN H H 45 8.244 8.244 8.612 -0.368 25434 3821 1 10 . 1 1 46 46 ALA N N 46 126.039 126.039 128.243 -2.204 25434 3822 1 10 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.581 0.196 25434 3823 1 10 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.753 -0.980 25434 3824 1 10 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.532 0.623 25434 3825 1 10 . 1 1 46 46 ALA H H 46 8.974 8.974 8.260 0.714 25434 3826 1 10 . 1 1 47 47 GLN N N 47 116.850 116.850 118.690 -1.840 25434 3827 1 10 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.050 0.244 25434 3828 1 10 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.436 0.192 25434 3829 1 10 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.796 -0.273 25434 3830 1 10 . 1 1 47 47 GLN H H 47 8.349 8.349 8.303 0.046 25434 3831 1 10 . 1 1 48 48 SER N N 48 111.872 111.872 110.843 1.029 25434 3832 1 10 . 1 1 48 48 SER HA H 48 4.474 4.474 4.567 -0.093 25434 3833 1 10 . 1 1 48 48 SER CA C 48 57.580 57.580 57.888 -0.308 25434 3834 1 10 . 1 1 48 48 SER CB C 48 64.262 64.262 63.689 0.573 25434 3835 1 10 . 1 1 48 48 SER H H 48 7.544 7.544 7.998 -0.454 25434 3836 1 10 . 1 1 49 49 GLN N N 49 118.063 118.063 117.161 0.902 25434 3837 1 10 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.862 -0.141 25434 3838 1 10 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.425 -0.250 25434 3839 1 10 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.525 -0.592 25434 3840 1 10 . 1 1 49 49 GLN H H 49 7.969 7.969 7.533 0.436 25434 3841 1 10 . 1 1 50 50 GLN N N 50 116.254 116.254 116.706 -0.452 25434 3842 1 10 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.693 0.126 25434 3843 1 10 . 1 1 50 50 GLN CA C 50 54.501 54.501 53.659 0.842 25434 3844 1 10 . 1 1 50 50 GLN CB C 50 33.410 33.410 32.473 0.937 25434 3845 1 10 . 1 1 50 50 GLN H H 50 7.180 7.180 7.517 -0.337 25434 3846 1 10 . 1 1 51 51 TYR N N 51 121.463 121.463 119.256 2.207 25434 3847 1 10 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.579 0.101 25434 3848 1 10 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.050 1.121 25434 3849 1 10 . 1 1 51 51 TYR CB C 51 40.066 40.066 41.332 -1.266 25434 3850 1 10 . 1 1 51 51 TYR H H 51 8.931 8.931 8.646 0.285 25434 3851 1 10 . 1 1 52 52 LEU N N 52 122.429 122.429 120.590 1.839 25434 3852 1 10 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.484 0.064 25434 3853 1 10 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.513 0.920 25434 3854 1 10 . 1 1 52 52 LEU CB C 52 48.049 48.049 47.010 1.039 25434 3855 1 10 . 1 1 52 52 LEU H H 52 9.726 9.726 9.167 0.559 25434 3856 1 10 . 1 1 53 53 TYR N N 53 117.639 117.639 114.805 2.834 25434 3857 1 10 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.416 0.461 25434 3858 1 10 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.883 -0.166 25434 3859 1 10 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.836 0.291 25434 3860 1 10 . 1 1 53 53 TYR H H 53 9.533 9.533 9.305 0.228 25434 3861 1 10 . 1 1 54 54 TRP N N 54 122.206 122.206 126.720 -4.514 25434 3862 1 10 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.438 0.068 25434 3863 1 10 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.221 0.592 25434 3864 1 10 . 1 1 54 54 TRP CB C 54 30.348 30.348 29.444 0.904 25434 3865 1 10 . 1 1 54 54 TRP H H 54 9.253 9.253 9.339 -0.086 25434 3866 1 10 . 1 1 55 55 ASP N N 55 128.978 128.978 129.713 -0.735 25434 3867 1 10 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.502 0.193 25434 3868 1 10 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.320 -0.437 25434 3869 1 10 . 1 1 55 55 ASP CB C 55 42.843 42.843 39.819 3.023 25434 3870 1 10 . 1 1 55 55 ASP H H 55 8.031 8.031 7.913 0.118 25434 3871 1 10 . 1 1 56 56 GLY N N 56 111.521 111.521 111.631 -0.110 25434 3872 1 10 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.192 0.583 25434 3873 1 10 . 1 1 56 56 GLY H H 56 8.548 8.548 7.677 0.871 25434 3874 1 10 . 1 1 57 57 GLU N N 57 120.202 120.202 118.548 1.654 25434 3875 1 10 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.067 0.226 25434 3876 1 10 . 1 1 57 57 GLU CA C 57 58.318 58.318 57.913 0.405 25434 3877 1 10 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.726 0.157 25434 3878 1 10 . 1 1 57 57 GLU H H 57 8.188 8.188 7.613 0.575 25434 3879 1 10 . 1 1 58 58 ARG N N 58 116.912 116.912 116.183 0.729 25434 3880 1 10 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.542 -0.411 25434 3881 1 10 . 1 1 58 58 ARG CA C 58 56.442 56.442 54.923 1.519 25434 3882 1 10 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.549 0.338 25434 3883 1 10 . 1 1 58 58 ARG H H 58 7.636 7.636 7.656 -0.020 25434 3884 1 10 . 1 1 59 59 ARG N N 59 116.563 116.563 117.098 -0.535 25434 3885 1 10 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.251 -0.014 25434 3886 1 10 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.892 -0.160 25434 3887 1 10 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.506 -0.872 25434 3888 1 10 . 1 1 59 59 ARG H H 59 7.878 7.878 7.698 0.180 25434 3889 1 10 . 1 1 60 60 THR N N 60 109.170 109.170 110.791 -1.621 25434 3890 1 10 . 1 1 60 60 THR HA H 60 4.516 4.516 4.816 -0.300 25434 3891 1 10 . 1 1 60 60 THR CA C 60 60.050 60.050 60.218 -0.168 25434 3892 1 10 . 1 1 60 60 THR CB C 60 69.758 69.758 71.332 -1.574 25434 3893 1 10 . 1 1 60 60 THR H H 60 6.591 6.591 6.883 -0.292 25434 3894 1 10 . 1 1 61 61 TYR N N 61 120.491 120.491 123.369 -2.878 25434 3895 1 10 . 1 1 61 61 TYR HA H 61 5.075 5.075 4.900 0.175 25434 3896 1 10 . 1 1 61 61 TYR CA C 61 57.393 57.393 57.329 0.064 25434 3897 1 10 . 1 1 61 61 TYR CB C 61 40.381 40.381 38.293 2.088 25434 3898 1 10 . 1 1 61 61 TYR H H 61 7.474 7.474 8.558 -1.084 25434 3899 1 10 . 1 1 62 62 VAL N N 62 123.115 123.115 119.249 3.866 25434 3900 1 10 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.714 -0.070 25434 3901 1 10 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.876 0.734 25434 3902 1 10 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.391 0.027 25434 3903 1 10 . 1 1 62 62 VAL H H 62 9.176 9.176 8.650 0.526 25434 3904 1 10 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.794 -0.030 25434 3905 1 10 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.626 1.015 25434 3906 1 10 . 1 1 63 63 PRO CB C 63 32.558 32.558 32.021 0.537 25434 3907 1 10 . 1 1 64 64 ALA N N 64 126.032 126.032 125.548 0.484 25434 3908 1 10 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.530 0.115 25434 3909 1 10 . 1 1 64 64 ALA CA C 64 52.126 52.126 51.713 0.413 25434 3910 1 10 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.656 0.096 25434 3911 1 10 . 1 1 64 64 ALA H H 64 8.708 8.708 8.239 0.469 25434 3912 1 10 . 1 1 65 65 LEU N N 65 120.884 120.884 120.454 0.430 25434 3913 1 10 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.106 0.385 25434 3914 1 10 . 1 1 65 65 LEU CA C 65 55.656 55.656 55.975 -0.319 25434 3915 1 10 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.358 1.280 25434 3916 1 10 . 1 1 65 65 LEU H H 65 8.469 8.469 7.989 0.480 25434 3917 1 10 . 1 1 66 66 GLU N N 66 115.912 115.912 123.935 -8.023 25434 3918 1 10 . 1 1 66 66 GLU HA H 66 4.546 4.546 3.914 0.632 25434 3919 1 10 . 1 1 66 66 GLU CA C 66 55.780 55.780 58.623 -2.843 25434 3920 1 10 . 1 1 66 66 GLU CB C 66 33.027 33.027 28.770 4.257 25434 3921 1 10 . 1 1 66 66 GLU H H 66 8.328 8.328 9.119 -0.791 25434 3922 1 10 . 1 1 67 67 GLN N N 67 120.380 120.380 119.450 0.930 25434 3923 1 10 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.049 0.433 25434 3924 1 10 . 1 1 67 67 GLN CA C 67 55.771 55.771 57.248 -1.477 25434 3925 1 10 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.331 2.409 25434 3926 1 10 . 1 1 67 67 GLN H H 67 8.478 8.478 8.453 0.025 25434 3927 1 10 . 1 1 68 68 SER N N 68 116.287 116.287 106.530 9.757 25434 3928 1 10 . 1 1 68 68 SER HA H 68 4.575 4.575 3.964 0.611 25434 3929 1 10 . 1 1 68 68 SER CA C 68 58.309 58.309 60.014 -1.705 25434 3930 1 10 . 1 1 68 68 SER CB C 68 64.119 64.119 62.522 1.597 25434 3931 1 10 . 1 1 68 68 SER H H 68 8.370 8.370 8.572 -0.202 25434 3932 1 10 . 1 1 69 69 ALA N N 69 125.968 125.968 123.989 1.979 25434 3933 1 10 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.413 0.030 25434 3934 1 10 . 1 1 69 69 ALA CA C 69 52.982 52.982 51.895 1.087 25434 3935 1 10 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.269 1.096 25434 3936 1 10 . 1 1 69 69 ALA H H 69 8.533 8.533 7.386 1.147 25434 3937 1 10 . 1 1 70 70 ASP N N 70 118.262 118.262 123.627 -5.365 25434 3938 1 10 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.272 0.410 25434 3939 1 10 . 1 1 70 70 ASP CA C 70 54.469 54.469 55.808 -1.339 25434 3940 1 10 . 1 1 70 70 ASP CB C 70 41.379 41.379 40.429 0.950 25434 3941 1 10 . 1 1 70 70 ASP H H 70 8.300 8.300 8.589 -0.289 25434 3942 1 10 . 1 1 71 71 GLY N N 71 108.495 108.495 105.194 3.301 25434 3943 1 10 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.768 1.054 25434 3944 1 10 . 1 1 71 71 GLY H H 71 8.291 8.291 7.525 0.766 25434 3945 1 10 . 1 1 72 72 HIS N N 72 118.240 118.240 116.983 1.257 25434 3946 1 10 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.461 0.306 25434 3947 1 10 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.583 -0.737 25434 3948 1 10 . 1 1 72 72 HIS CB C 72 29.363 29.363 29.750 -0.387 25434 3949 1 10 . 1 1 72 72 HIS H H 72 8.354 8.354 7.897 0.457 25434 3950 1 10 . 1 1 73 73 LYS N N 73 121.591 121.591 117.823 3.768 25434 3951 1 10 . 1 1 73 73 LYS HA H 73 4.443 4.443 3.926 0.517 25434 3952 1 10 . 1 1 73 73 LYS CA C 73 56.601 56.601 56.859 -0.258 25434 3953 1 10 . 1 1 73 73 LYS CB C 73 33.133 33.133 31.263 1.870 25434 3954 1 10 . 1 1 73 73 LYS H H 73 8.457 8.457 7.672 0.785 25434 3955 1 10 . 1 1 74 74 GLU N N 74 122.169 122.169 119.782 2.387 25434 3956 1 10 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.303 0.191 25434 3957 1 10 . 1 1 74 74 GLU CA C 74 56.565 56.565 56.761 -0.196 25434 3958 1 10 . 1 1 74 74 GLU CB C 74 30.327 30.327 29.986 0.341 25434 3959 1 10 . 1 1 74 74 GLU H H 74 8.669 8.669 8.420 0.249 25434 3960 1 10 . 1 1 75 75 THR N N 75 114.560 114.560 114.597 -0.037 25434 3961 1 10 . 1 1 75 75 THR HA H 75 4.463 4.463 4.009 0.454 25434 3962 1 10 . 1 1 75 75 THR CA C 75 61.998 61.998 63.640 -1.642 25434 3963 1 10 . 1 1 75 75 THR CB C 75 69.901 69.901 68.183 1.718 25434 3964 1 10 . 1 1 75 75 THR H H 75 8.313 8.313 8.642 -0.329 25434 3965 1 10 . 1 1 76 76 GLY N N 76 110.986 110.986 107.375 3.611 25434 3966 1 10 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.795 0.599 25434 3967 1 10 . 1 1 76 76 GLY H H 76 8.493 8.493 7.606 0.887 25434 3968 1 10 . 1 1 77 77 ALA N N 77 123.316 123.316 122.897 0.419 25434 3969 1 10 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.125 0.509 25434 3970 1 10 . 1 1 77 77 ALA CA C 77 50.611 50.611 52.052 -1.441 25434 3971 1 10 . 1 1 77 77 ALA CB C 77 18.471 18.471 17.881 0.590 25434 3972 1 10 . 1 1 77 77 ALA H H 77 8.025 8.025 8.239 -0.214 25434 3973 1 10 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.375 0.353 25434 3974 1 10 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.553 -0.584 25434 3975 1 10 . 1 1 79 79 SER N N 79 116.876 116.876 110.984 5.892 25434 3976 1 10 . 1 1 79 79 SER HA H 79 4.543 4.543 4.092 0.451 25434 3977 1 10 . 1 1 79 79 SER CA C 79 58.548 58.548 60.020 -1.472 25434 3978 1 10 . 1 1 79 79 SER CB C 79 63.972 63.972 61.991 1.981 25434 3979 1 10 . 1 1 79 79 SER H H 79 8.627 8.627 8.649 -0.022 25434 3980 1 10 . 1 1 80 80 LYS N N 80 122.282 122.282 118.769 3.513 25434 3981 1 10 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.440 -0.043 25434 3982 1 10 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.499 0.129 25434 3983 1 10 . 1 1 80 80 LYS CB C 80 33.268 33.268 32.684 0.584 25434 3984 1 10 . 1 1 80 80 LYS H H 80 8.359 8.359 8.047 0.312 25434 3985 1 10 . 1 1 81 81 GLU N N 81 121.390 121.390 117.517 3.873 25434 3986 1 10 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.512 -0.125 25434 3987 1 10 . 1 1 81 81 GLU CA C 81 56.773 56.773 55.929 0.844 25434 3988 1 10 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.342 0.032 25434 3989 1 10 . 1 1 81 81 GLU H H 81 8.521 8.521 7.937 0.584 25434 3990 1 10 . 1 1 82 82 GLY N N 82 109.657 109.657 110.327 -0.670 25434 3991 1 10 . 1 1 82 82 GLY CA C 82 45.733 45.733 44.992 0.741 25434 3992 1 10 . 1 1 82 82 GLY H H 82 8.491 8.491 8.027 0.464 25434 3993 1 10 . 1 1 83 83 LYS N N 83 120.424 120.424 124.875 -4.451 25434 3994 1 10 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.461 -0.066 25434 3995 1 10 . 1 1 83 83 LYS CA C 83 56.900 56.900 54.902 1.998 25434 3996 1 10 . 1 1 83 83 LYS CB C 83 33.222 33.222 31.863 1.359 25434 3997 1 10 . 1 1 83 83 LYS H H 83 8.237 8.237 8.509 -0.272 25434 3998 1 10 . 1 1 84 84 GLU N N 84 120.758 120.758 119.261 1.497 25434 3999 1 10 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.186 0.192 25434 4000 1 10 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.357 -1.622 25434 4001 1 10 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.962 0.640 25434 4002 1 10 . 1 1 84 84 GLU H H 84 8.571 8.571 8.074 0.497 25434 4003 1 10 . 1 1 85 85 LYS N N 85 122.155 122.155 113.850 8.305 25434 4004 1 10 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.467 -0.056 25434 4005 1 10 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.688 0.633 25434 4006 1 10 . 1 1 85 85 LYS CB C 85 33.193 33.193 33.337 -0.144 25434 4007 1 10 . 1 1 85 85 LYS H H 85 8.558 8.558 8.133 0.425 25434 4008 1 10 . 1 1 86 86 LYS N N 86 122.185 122.185 121.881 0.304 25434 4009 1 10 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.325 0.047 25434 4010 1 10 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.783 -0.114 25434 4011 1 10 . 1 1 86 86 LYS CB C 86 33.268 33.268 31.651 1.617 25434 4012 1 10 . 1 1 86 86 LYS H H 86 8.397 8.397 8.241 0.156 25434 4013 1 10 . 1 1 87 87 GLU N N 87 124.443 124.443 123.422 1.021 25434 4014 1 10 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.448 0.076 25434 4015 1 10 . 1 1 87 87 GLU CA C 87 58.257 58.257 56.729 1.528 25434 4016 1 10 . 1 1 87 87 GLU CB C 87 33.559 33.559 31.479 2.080 25434 4017 1 10 . 1 1 87 87 GLU H H 87 8.175 8.175 8.694 -0.519 25434 4018 1 10 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.501 0.286 25434 4019 1 10 . 1 1 89 89 HIS CA C 89 55.754 55.754 57.325 -1.571 25434 4020 1 10 . 1 1 89 89 HIS CB C 89 30.327 30.327 28.894 1.433 25434 4021 1 10 . 1 1 90 90 LYS N N 90 122.178 122.178 126.113 -3.935 25434 4022 1 10 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.616 -0.219 25434 4023 1 10 . 1 1 90 90 LYS CA C 90 56.597 56.597 55.678 0.918 25434 4024 1 10 . 1 1 90 90 LYS CB C 90 33.222 33.222 32.724 0.498 25434 4025 1 10 . 1 1 90 90 LYS H H 90 8.335 8.335 8.189 0.146 25434 4026 1 10 . 1 1 91 91 THR N N 91 121.268 121.268 116.489 4.779 25434 4027 1 10 . 1 1 91 91 THR HA H 91 4.453 4.453 4.009 0.444 25434 4028 1 10 . 1 1 91 91 THR CA C 91 61.956 61.956 63.141 -1.185 25434 4029 1 10 . 1 1 91 91 THR CB C 91 69.916 69.916 68.636 1.280 25434 4030 1 10 . 1 1 91 91 THR H H 91 8.047 8.047 8.408 -0.361 25434 4031 1 11 . 1 1 5 5 GLU N N 5 123.289 123.289 123.572 -0.283 25434 4032 1 11 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.149 0.385 25434 4033 1 11 . 1 1 5 5 GLU CA C 5 63.240 63.240 57.132 6.108 25434 4034 1 11 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.486 2.739 25434 4035 1 11 . 1 1 5 5 GLU H H 5 8.538 8.538 8.709 -0.171 25434 4036 1 11 . 1 1 6 6 SER N N 6 115.506 115.506 113.173 2.333 25434 4037 1 11 . 1 1 6 6 SER HA H 6 4.552 4.552 4.238 0.314 25434 4038 1 11 . 1 1 6 6 SER CA C 6 58.231 58.231 57.994 0.237 25434 4039 1 11 . 1 1 6 6 SER CB C 6 64.028 64.028 63.021 1.007 25434 4040 1 11 . 1 1 6 6 SER H H 6 8.435 8.435 8.321 0.114 25434 4041 1 11 . 1 1 7 7 TYR N N 7 121.104 121.104 117.058 4.046 25434 4042 1 11 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.352 0.390 25434 4043 1 11 . 1 1 7 7 TYR CA C 7 57.611 57.611 57.964 -0.353 25434 4044 1 11 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.387 0.789 25434 4045 1 11 . 1 1 7 7 TYR H H 7 8.137 8.137 8.205 -0.068 25434 4046 1 11 . 1 1 8 8 SER N N 8 116.875 116.875 116.794 0.081 25434 4047 1 11 . 1 1 8 8 SER HA H 8 4.539 4.539 4.039 0.500 25434 4048 1 11 . 1 1 8 8 SER CA C 8 58.327 58.327 59.045 -0.718 25434 4049 1 11 . 1 1 8 8 SER CB C 8 63.958 63.958 61.595 2.363 25434 4050 1 11 . 1 1 8 8 SER H H 8 8.364 8.364 7.665 0.699 25434 4051 1 11 . 1 1 9 9 GLN N N 9 120.999 120.999 121.077 -0.078 25434 4052 1 11 . 1 1 9 9 GLN HA H 9 4.443 4.443 3.774 0.669 25434 4053 1 11 . 1 1 9 9 GLN CA C 9 56.678 56.678 59.018 -2.340 25434 4054 1 11 . 1 1 9 9 GLN CB C 9 30.372 30.372 28.058 2.314 25434 4055 1 11 . 1 1 9 9 GLN H H 9 8.414 8.414 8.779 -0.365 25434 4056 1 11 . 1 1 10 10 TYR N N 10 121.815 121.815 118.376 3.439 25434 4057 1 11 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.833 0.141 25434 4058 1 11 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.532 0.851 25434 4059 1 11 . 1 1 10 10 TYR CB C 10 40.009 40.009 40.682 -0.673 25434 4060 1 11 . 1 1 10 10 TYR H H 10 8.549 8.549 7.977 0.572 25434 4061 1 11 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.609 0.007 25434 4062 1 11 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.491 -0.492 25434 4063 1 11 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.757 -0.554 25434 4064 1 11 . 1 1 12 12 VAL N N 12 120.450 120.450 118.759 1.691 25434 4065 1 11 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.102 -0.302 25434 4066 1 11 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.315 1.142 25434 4067 1 11 . 1 1 12 12 VAL CB C 12 32.251 32.251 30.465 1.786 25434 4068 1 11 . 1 1 12 12 VAL H H 12 8.074 8.074 8.412 -0.338 25434 4069 1 11 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.575 -0.557 25434 4070 1 11 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.149 1.031 25434 4071 1 11 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.712 -0.080 25434 4072 1 11 . 1 1 14 14 ASP N N 14 120.579 120.579 119.406 1.173 25434 4073 1 11 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.577 0.134 25434 4074 1 11 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.464 -0.390 25434 4075 1 11 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.959 -2.909 25434 4076 1 11 . 1 1 14 14 ASP H H 14 8.148 8.148 8.138 0.010 25434 4077 1 11 . 1 1 15 15 VAL N N 15 120.884 120.884 125.696 -4.812 25434 4078 1 11 . 1 1 15 15 VAL HA H 15 2.170 2.170 2.056 0.114 25434 4079 1 11 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.337 -0.568 25434 4080 1 11 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.529 -0.632 25434 4081 1 11 . 1 1 15 15 VAL H H 15 8.161 8.161 8.336 -0.175 25434 4082 1 11 . 1 1 16 16 SER N N 16 116.885 116.885 115.505 1.380 25434 4083 1 11 . 1 1 16 16 SER HA H 16 4.294 4.294 4.192 0.102 25434 4084 1 11 . 1 1 16 16 SER CA C 16 61.011 61.011 61.040 -0.029 25434 4085 1 11 . 1 1 16 16 SER CB C 16 63.004 63.004 62.880 0.124 25434 4086 1 11 . 1 1 16 16 SER H H 16 8.139 8.139 7.971 0.168 25434 4087 1 11 . 1 1 17 17 THR N N 17 110.397 110.397 113.949 -3.552 25434 4088 1 11 . 1 1 17 17 THR HA H 17 4.558 4.558 4.482 0.076 25434 4089 1 11 . 1 1 17 17 THR CA C 17 61.987 61.987 61.542 0.445 25434 4090 1 11 . 1 1 17 17 THR CB C 17 70.459 70.459 69.584 0.875 25434 4091 1 11 . 1 1 17 17 THR H H 17 7.549 7.549 7.374 0.175 25434 4092 1 11 . 1 1 18 18 TYR N N 18 120.956 120.956 121.564 -0.608 25434 4093 1 11 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.666 0.502 25434 4094 1 11 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.524 -2.701 25434 4095 1 11 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.193 -1.453 25434 4096 1 11 . 1 1 18 18 TYR H H 18 7.365 7.365 7.632 -0.267 25434 4097 1 11 . 1 1 19 19 GLN N N 19 119.670 119.670 119.601 0.069 25434 4098 1 11 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.773 0.279 25434 4099 1 11 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.718 -0.332 25434 4100 1 11 . 1 1 19 19 GLN CB C 19 31.447 31.447 31.679 -0.232 25434 4101 1 11 . 1 1 19 19 GLN H H 19 9.372 9.372 8.556 0.816 25434 4102 1 11 . 1 1 20 20 TYR N N 20 126.395 126.395 123.275 3.120 25434 4103 1 11 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.617 -0.515 25434 4104 1 11 . 1 1 20 20 TYR CA C 20 59.374 59.374 57.758 1.616 25434 4105 1 11 . 1 1 20 20 TYR CB C 20 39.026 39.026 40.011 -0.985 25434 4106 1 11 . 1 1 20 20 TYR H H 20 9.433 9.433 8.759 0.674 25434 4107 1 11 . 1 1 21 21 ASP N N 21 128.962 128.962 124.846 4.116 25434 4108 1 11 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.877 0.003 25434 4109 1 11 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.324 -0.991 25434 4110 1 11 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.356 -0.024 25434 4111 1 11 . 1 1 21 21 ASP H H 21 8.128 8.128 7.799 0.329 25434 4112 1 11 . 1 1 22 22 GLU N N 22 124.636 124.636 122.969 1.667 25434 4113 1 11 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.817 -0.019 25434 4114 1 11 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.348 0.285 25434 4115 1 11 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.060 0.652 25434 4116 1 11 . 1 1 22 22 GLU H H 22 8.768 8.768 8.782 -0.014 25434 4117 1 11 . 1 1 23 23 THR N N 23 112.402 112.402 112.817 -0.415 25434 4118 1 11 . 1 1 23 23 THR HA H 23 4.045 4.045 4.107 -0.062 25434 4119 1 11 . 1 1 23 23 THR CA C 23 65.526 65.526 64.414 1.112 25434 4120 1 11 . 1 1 23 23 THR CB C 23 68.434 68.434 69.070 -0.636 25434 4121 1 11 . 1 1 23 23 THR H H 23 8.031 8.031 8.082 -0.051 25434 4122 1 11 . 1 1 24 24 SER N N 24 113.712 113.712 113.547 0.165 25434 4123 1 11 . 1 1 24 24 SER HA H 24 4.327 4.327 4.545 -0.218 25434 4124 1 11 . 1 1 24 24 SER CA C 24 59.046 59.046 58.631 0.415 25434 4125 1 11 . 1 1 24 24 SER CB C 24 65.024 65.024 66.049 -1.025 25434 4126 1 11 . 1 1 24 24 SER H H 24 7.503 7.503 7.646 -0.143 25434 4127 1 11 . 1 1 25 25 GLY N N 25 111.227 111.227 111.181 0.046 25434 4128 1 11 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.926 -0.299 25434 4129 1 11 . 1 1 25 25 GLY H H 25 8.304 8.304 8.162 0.142 25434 4130 1 11 . 1 1 26 26 TYR N N 26 117.907 117.907 117.602 0.305 25434 4131 1 11 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.652 0.735 25434 4132 1 11 . 1 1 26 26 TYR CA C 26 55.006 55.006 59.118 -4.112 25434 4133 1 11 . 1 1 26 26 TYR CB C 26 40.743 40.743 40.290 0.453 25434 4134 1 11 . 1 1 26 26 TYR H H 26 7.951 7.951 7.120 0.831 25434 4135 1 11 . 1 1 27 27 TYR N N 27 116.474 116.474 116.673 -0.199 25434 4136 1 11 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.403 -0.045 25434 4137 1 11 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.132 1.111 25434 4138 1 11 . 1 1 27 27 TYR CB C 27 41.412 41.412 41.496 -0.084 25434 4139 1 11 . 1 1 27 27 TYR H H 27 9.253 9.253 9.560 -0.307 25434 4140 1 11 . 1 1 28 28 TYR N N 28 122.756 122.756 122.344 0.412 25434 4141 1 11 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.474 0.304 25434 4142 1 11 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.594 1.389 25434 4143 1 11 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.804 0.191 25434 4144 1 11 . 1 1 28 28 TYR H H 28 9.686 9.686 9.525 0.161 25434 4145 1 11 . 1 1 29 29 ASP N N 29 125.994 125.994 126.212 -0.218 25434 4146 1 11 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.003 0.749 25434 4147 1 11 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.733 -0.531 25434 4148 1 11 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.427 0.738 25434 4149 1 11 . 1 1 29 29 ASP H H 29 7.954 7.954 7.912 0.042 25434 4150 1 11 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.939 0.131 25434 4151 1 11 . 1 1 30 30 PRO CA C 30 63.608 63.608 63.840 -0.232 25434 4152 1 11 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.669 0.923 25434 4153 1 11 . 1 1 31 31 GLN N N 31 115.244 115.244 117.924 -2.680 25434 4154 1 11 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.147 0.085 25434 4155 1 11 . 1 1 31 31 GLN CA C 31 58.517 58.517 58.066 0.450 25434 4156 1 11 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.276 0.029 25434 4157 1 11 . 1 1 31 31 GLN H H 31 7.989 7.989 8.137 -0.148 25434 4158 1 11 . 1 1 32 32 THR N N 32 104.641 104.641 106.591 -1.950 25434 4159 1 11 . 1 1 32 32 THR HA H 32 4.332 4.332 4.563 -0.231 25434 4160 1 11 . 1 1 32 32 THR CA C 32 61.768 61.768 62.376 -0.607 25434 4161 1 11 . 1 1 32 32 THR CB C 32 71.212 71.212 71.439 -0.227 25434 4162 1 11 . 1 1 32 32 THR H H 32 6.765 6.765 8.073 -1.308 25434 4163 1 11 . 1 1 33 33 GLY N N 33 111.318 111.318 110.123 1.195 25434 4164 1 11 . 1 1 33 33 GLY CA C 33 45.527 45.527 44.909 0.618 25434 4165 1 11 . 1 1 33 33 GLY H H 33 8.439 8.439 8.003 0.436 25434 4166 1 11 . 1 1 34 34 LEU N N 34 118.537 118.537 119.357 -0.820 25434 4167 1 11 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.483 0.118 25434 4168 1 11 . 1 1 34 34 LEU CA C 34 54.021 54.021 55.223 -1.202 25434 4169 1 11 . 1 1 34 34 LEU CB C 34 44.529 44.529 42.708 1.821 25434 4170 1 11 . 1 1 34 34 LEU H H 34 7.422 7.422 6.965 0.457 25434 4171 1 11 . 1 1 35 35 TYR N N 35 116.166 116.166 115.593 0.573 25434 4172 1 11 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.400 0.122 25434 4173 1 11 . 1 1 35 35 TYR CA C 35 57.246 57.246 56.831 0.415 25434 4174 1 11 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.741 -1.865 25434 4175 1 11 . 1 1 35 35 TYR H H 35 8.692 8.692 8.996 -0.304 25434 4176 1 11 . 1 1 36 36 TYR N N 36 121.442 121.442 119.556 1.886 25434 4177 1 11 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.836 0.120 25434 4178 1 11 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.315 -0.338 25434 4179 1 11 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.294 0.420 25434 4180 1 11 . 1 1 36 36 TYR H H 36 9.745 9.745 9.723 0.022 25434 4181 1 11 . 1 1 37 37 ASP N N 37 127.129 127.129 126.022 1.107 25434 4182 1 11 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.891 0.350 25434 4183 1 11 . 1 1 37 37 ASP CA C 37 49.282 49.282 50.429 -1.147 25434 4184 1 11 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.083 -1.224 25434 4185 1 11 . 1 1 37 37 ASP H H 37 8.029 8.029 7.857 0.172 25434 4186 1 11 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.435 -0.356 25434 4187 1 11 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.971 -1.242 25434 4188 1 11 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.191 0.297 25434 4189 1 11 . 1 1 39 39 ASN N N 39 115.838 115.838 115.699 0.139 25434 4190 1 11 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.703 -0.025 25434 4191 1 11 . 1 1 39 39 ASN CA C 39 55.719 55.719 53.590 2.129 25434 4192 1 11 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.849 -0.862 25434 4193 1 11 . 1 1 39 39 ASN H H 39 8.232 8.232 8.509 -0.277 25434 4194 1 11 . 1 1 40 40 SER N N 40 112.476 112.476 115.699 -3.223 25434 4195 1 11 . 1 1 40 40 SER HA H 40 4.346 4.346 4.541 -0.195 25434 4196 1 11 . 1 1 40 40 SER CA C 40 58.832 58.832 56.840 1.992 25434 4197 1 11 . 1 1 40 40 SER CB C 40 64.576 64.576 63.954 0.622 25434 4198 1 11 . 1 1 40 40 SER H H 40 7.371 7.371 7.671 -0.300 25434 4199 1 11 . 1 1 41 41 GLN N N 41 114.329 114.329 122.958 -8.629 25434 4200 1 11 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.779 0.001 25434 4201 1 11 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.051 2.111 25434 4202 1 11 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.780 -2.803 25434 4203 1 11 . 1 1 41 41 GLN H H 41 8.203 8.203 8.614 -0.411 25434 4204 1 11 . 1 1 42 42 TYR N N 42 115.202 115.202 117.978 -2.776 25434 4205 1 11 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.791 0.730 25434 4206 1 11 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.936 -1.300 25434 4207 1 11 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.048 3.333 25434 4208 1 11 . 1 1 42 42 TYR H H 42 7.621 7.621 7.444 0.177 25434 4209 1 11 . 1 1 43 43 TYR N N 43 118.608 118.608 123.666 -5.058 25434 4210 1 11 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.848 0.847 25434 4211 1 11 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.212 -1.891 25434 4212 1 11 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.852 2.006 25434 4213 1 11 . 1 1 43 43 TYR H H 43 9.724 9.724 9.396 0.328 25434 4214 1 11 . 1 1 44 44 TYR N N 44 121.727 121.727 121.258 0.469 25434 4215 1 11 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.835 0.347 25434 4216 1 11 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.373 0.175 25434 4217 1 11 . 1 1 44 44 TYR CB C 44 42.263 42.263 42.195 0.068 25434 4218 1 11 . 1 1 44 44 TYR H H 44 9.594 9.594 9.448 0.146 25434 4219 1 11 . 1 1 45 45 ASN N N 45 125.423 125.423 124.691 0.732 25434 4220 1 11 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.870 0.135 25434 4221 1 11 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.353 0.567 25434 4222 1 11 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.263 1.008 25434 4223 1 11 . 1 1 45 45 ASN H H 45 8.244 8.244 8.356 -0.112 25434 4224 1 11 . 1 1 46 46 ALA N N 46 126.039 126.039 125.966 0.073 25434 4225 1 11 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.599 0.178 25434 4226 1 11 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.761 -0.988 25434 4227 1 11 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.475 0.680 25434 4228 1 11 . 1 1 46 46 ALA H H 46 8.974 8.974 8.591 0.383 25434 4229 1 11 . 1 1 47 47 GLN N N 47 116.850 116.850 118.483 -1.633 25434 4230 1 11 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.060 0.234 25434 4231 1 11 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.311 0.317 25434 4232 1 11 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.928 -0.405 25434 4233 1 11 . 1 1 47 47 GLN H H 47 8.349 8.349 8.693 -0.344 25434 4234 1 11 . 1 1 48 48 SER N N 48 111.872 111.872 110.925 0.947 25434 4235 1 11 . 1 1 48 48 SER HA H 48 4.474 4.474 4.627 -0.153 25434 4236 1 11 . 1 1 48 48 SER CA C 48 57.580 57.580 57.849 -0.269 25434 4237 1 11 . 1 1 48 48 SER CB C 48 64.262 64.262 64.857 -0.595 25434 4238 1 11 . 1 1 48 48 SER H H 48 7.544 7.544 7.551 -0.007 25434 4239 1 11 . 1 1 49 49 GLN N N 49 118.063 118.063 117.606 0.457 25434 4240 1 11 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.593 0.128 25434 4241 1 11 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.162 0.013 25434 4242 1 11 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.697 -0.764 25434 4243 1 11 . 1 1 49 49 GLN H H 49 7.969 7.969 7.624 0.345 25434 4244 1 11 . 1 1 50 50 GLN N N 50 116.254 116.254 116.343 -0.089 25434 4245 1 11 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.584 0.235 25434 4246 1 11 . 1 1 50 50 GLN CA C 50 54.501 54.501 53.475 1.026 25434 4247 1 11 . 1 1 50 50 GLN CB C 50 33.410 33.410 32.735 0.675 25434 4248 1 11 . 1 1 50 50 GLN H H 50 7.180 7.180 7.379 -0.199 25434 4249 1 11 . 1 1 51 51 TYR N N 51 121.463 121.463 118.843 2.620 25434 4250 1 11 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.520 0.160 25434 4251 1 11 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.101 1.069 25434 4252 1 11 . 1 1 51 51 TYR CB C 51 40.066 40.066 41.795 -1.729 25434 4253 1 11 . 1 1 51 51 TYR H H 51 8.931 8.931 8.589 0.342 25434 4254 1 11 . 1 1 52 52 LEU N N 52 122.429 122.429 120.936 1.493 25434 4255 1 11 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.488 0.060 25434 4256 1 11 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.235 1.198 25434 4257 1 11 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.655 1.394 25434 4258 1 11 . 1 1 52 52 LEU H H 52 9.726 9.726 9.025 0.701 25434 4259 1 11 . 1 1 53 53 TYR N N 53 117.639 117.639 115.101 2.538 25434 4260 1 11 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.451 0.426 25434 4261 1 11 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.392 0.324 25434 4262 1 11 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.814 0.313 25434 4263 1 11 . 1 1 53 53 TYR H H 53 9.533 9.533 9.142 0.391 25434 4264 1 11 . 1 1 54 54 TRP N N 54 122.206 122.206 124.114 -1.908 25434 4265 1 11 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.794 -0.288 25434 4266 1 11 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.499 0.314 25434 4267 1 11 . 1 1 54 54 TRP CB C 54 30.348 30.348 31.436 -1.088 25434 4268 1 11 . 1 1 54 54 TRP H H 54 9.253 9.253 9.221 0.032 25434 4269 1 11 . 1 1 55 55 ASP N N 55 128.978 128.978 122.753 6.225 25434 4270 1 11 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.619 0.076 25434 4271 1 11 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.352 -0.469 25434 4272 1 11 . 1 1 55 55 ASP CB C 55 42.843 42.843 43.841 -0.998 25434 4273 1 11 . 1 1 55 55 ASP H H 55 8.031 8.031 6.824 1.206 25434 4274 1 11 . 1 1 56 56 GLY N N 56 111.521 111.521 107.904 3.617 25434 4275 1 11 . 1 1 56 56 GLY CA C 56 46.775 46.775 45.404 1.371 25434 4276 1 11 . 1 1 56 56 GLY H H 56 8.548 8.548 8.271 0.277 25434 4277 1 11 . 1 1 57 57 GLU N N 57 120.202 120.202 119.300 0.902 25434 4278 1 11 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.177 0.116 25434 4279 1 11 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.337 -0.019 25434 4280 1 11 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.531 0.352 25434 4281 1 11 . 1 1 57 57 GLU H H 57 8.188 8.188 8.514 -0.326 25434 4282 1 11 . 1 1 58 58 ARG N N 58 116.912 116.912 117.047 -0.135 25434 4283 1 11 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.319 -0.188 25434 4284 1 11 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.595 0.847 25434 4285 1 11 . 1 1 58 58 ARG CB C 58 31.887 31.887 30.725 1.162 25434 4286 1 11 . 1 1 58 58 ARG H H 58 7.636 7.636 7.715 -0.079 25434 4287 1 11 . 1 1 59 59 ARG N N 59 116.563 116.563 117.409 -0.846 25434 4288 1 11 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.446 -0.209 25434 4289 1 11 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.745 -0.013 25434 4290 1 11 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.313 -0.679 25434 4291 1 11 . 1 1 59 59 ARG H H 59 7.878 7.878 7.591 0.287 25434 4292 1 11 . 1 1 60 60 THR N N 60 109.170 109.170 109.446 -0.276 25434 4293 1 11 . 1 1 60 60 THR HA H 60 4.516 4.516 4.352 0.164 25434 4294 1 11 . 1 1 60 60 THR CA C 60 60.050 60.050 58.914 1.136 25434 4295 1 11 . 1 1 60 60 THR CB C 60 69.758 69.758 70.933 -1.175 25434 4296 1 11 . 1 1 60 60 THR H H 60 6.591 6.591 6.677 -0.086 25434 4297 1 11 . 1 1 61 61 TYR N N 61 120.491 120.491 122.596 -2.105 25434 4298 1 11 . 1 1 61 61 TYR HA H 61 5.075 5.075 4.805 0.270 25434 4299 1 11 . 1 1 61 61 TYR CA C 61 57.393 57.393 57.892 -0.499 25434 4300 1 11 . 1 1 61 61 TYR CB C 61 40.381 40.381 38.552 1.829 25434 4301 1 11 . 1 1 61 61 TYR H H 61 7.474 7.474 7.850 -0.376 25434 4302 1 11 . 1 1 62 62 VAL N N 62 123.115 123.115 117.887 5.228 25434 4303 1 11 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.614 0.030 25434 4304 1 11 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.408 1.202 25434 4305 1 11 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.723 0.695 25434 4306 1 11 . 1 1 62 62 VAL H H 62 9.176 9.176 8.867 0.309 25434 4307 1 11 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.655 0.109 25434 4308 1 11 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.674 0.967 25434 4309 1 11 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.426 1.132 25434 4310 1 11 . 1 1 64 64 ALA N N 64 126.032 126.032 127.336 -1.304 25434 4311 1 11 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.456 0.189 25434 4312 1 11 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.860 -0.734 25434 4313 1 11 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.132 0.620 25434 4314 1 11 . 1 1 64 64 ALA H H 64 8.708 8.708 8.482 0.226 25434 4315 1 11 . 1 1 65 65 LEU N N 65 120.884 120.884 119.456 1.428 25434 4316 1 11 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.117 0.374 25434 4317 1 11 . 1 1 65 65 LEU CA C 65 55.656 55.656 56.950 -1.294 25434 4318 1 11 . 1 1 65 65 LEU CB C 65 42.638 42.638 40.820 1.818 25434 4319 1 11 . 1 1 65 65 LEU H H 65 8.469 8.469 8.172 0.297 25434 4320 1 11 . 1 1 66 66 GLU N N 66 115.912 115.912 117.602 -1.690 25434 4321 1 11 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.314 0.232 25434 4322 1 11 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.684 -0.904 25434 4323 1 11 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.073 2.954 25434 4324 1 11 . 1 1 66 66 GLU H H 66 8.328 8.328 8.597 -0.269 25434 4325 1 11 . 1 1 67 67 GLN N N 67 120.380 120.380 115.809 4.571 25434 4326 1 11 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.097 0.385 25434 4327 1 11 . 1 1 67 67 GLN CA C 67 55.771 55.771 55.993 -0.223 25434 4328 1 11 . 1 1 67 67 GLN CB C 67 29.740 29.740 28.434 1.306 25434 4329 1 11 . 1 1 67 67 GLN H H 67 8.478 8.478 8.485 -0.007 25434 4330 1 11 . 1 1 68 68 SER N N 68 116.287 116.287 113.108 3.179 25434 4331 1 11 . 1 1 68 68 SER HA H 68 4.575 4.575 4.054 0.521 25434 4332 1 11 . 1 1 68 68 SER CA C 68 58.309 58.309 58.903 -0.594 25434 4333 1 11 . 1 1 68 68 SER CB C 68 64.119 64.119 62.784 1.335 25434 4334 1 11 . 1 1 68 68 SER H H 68 8.370 8.370 8.676 -0.306 25434 4335 1 11 . 1 1 69 69 ALA N N 69 125.968 125.968 123.697 2.271 25434 4336 1 11 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.165 0.278 25434 4337 1 11 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.786 0.196 25434 4338 1 11 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.700 0.665 25434 4339 1 11 . 1 1 69 69 ALA H H 69 8.533 8.533 8.380 0.153 25434 4340 1 11 . 1 1 70 70 ASP N N 70 118.262 118.262 122.714 -4.452 25434 4341 1 11 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.770 -0.088 25434 4342 1 11 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.178 0.291 25434 4343 1 11 . 1 1 70 70 ASP CB C 70 41.379 41.379 42.138 -0.759 25434 4344 1 11 . 1 1 70 70 ASP H H 70 8.300 8.300 8.404 -0.104 25434 4345 1 11 . 1 1 71 71 GLY N N 71 108.495 108.495 108.380 0.115 25434 4346 1 11 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.704 1.118 25434 4347 1 11 . 1 1 71 71 GLY H H 71 8.291 8.291 8.348 -0.057 25434 4348 1 11 . 1 1 72 72 HIS N N 72 118.240 118.240 121.162 -2.922 25434 4349 1 11 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.540 0.227 25434 4350 1 11 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.607 -0.761 25434 4351 1 11 . 1 1 72 72 HIS CB C 72 29.363 29.363 29.561 -0.199 25434 4352 1 11 . 1 1 72 72 HIS H H 72 8.354 8.354 8.655 -0.301 25434 4353 1 11 . 1 1 73 73 LYS N N 73 121.591 121.591 125.274 -3.683 25434 4354 1 11 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.559 -0.116 25434 4355 1 11 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.338 1.263 25434 4356 1 11 . 1 1 73 73 LYS CB C 73 33.133 33.133 34.896 -1.763 25434 4357 1 11 . 1 1 73 73 LYS H H 73 8.457 8.457 7.911 0.546 25434 4358 1 11 . 1 1 74 74 GLU N N 74 122.169 122.169 120.598 1.571 25434 4359 1 11 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.636 -0.142 25434 4360 1 11 . 1 1 74 74 GLU CA C 74 56.565 56.565 55.432 1.133 25434 4361 1 11 . 1 1 74 74 GLU CB C 74 30.327 30.327 31.875 -1.548 25434 4362 1 11 . 1 1 74 74 GLU H H 74 8.669 8.669 8.476 0.193 25434 4363 1 11 . 1 1 75 75 THR N N 75 114.560 114.560 116.096 -1.536 25434 4364 1 11 . 1 1 75 75 THR HA H 75 4.463 4.463 4.215 0.248 25434 4365 1 11 . 1 1 75 75 THR CA C 75 61.998 61.998 64.449 -2.451 25434 4366 1 11 . 1 1 75 75 THR CB C 75 69.901 69.901 68.880 1.021 25434 4367 1 11 . 1 1 75 75 THR H H 75 8.313 8.313 8.501 -0.188 25434 4368 1 11 . 1 1 76 76 GLY N N 76 110.986 110.986 108.254 2.732 25434 4369 1 11 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.632 0.762 25434 4370 1 11 . 1 1 76 76 GLY H H 76 8.493 8.493 7.808 0.685 25434 4371 1 11 . 1 1 77 77 ALA N N 77 123.316 123.316 123.648 -0.332 25434 4372 1 11 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.019 0.615 25434 4373 1 11 . 1 1 77 77 ALA CA C 77 50.611 50.611 51.788 -1.177 25434 4374 1 11 . 1 1 77 77 ALA CB C 77 18.471 18.471 17.136 1.335 25434 4375 1 11 . 1 1 77 77 ALA H H 77 8.025 8.025 7.745 0.280 25434 4376 1 11 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.429 0.299 25434 4377 1 11 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.669 0.301 25434 4378 1 11 . 1 1 79 79 SER N N 79 116.876 116.876 113.475 3.401 25434 4379 1 11 . 1 1 79 79 SER HA H 79 4.543 4.543 4.608 -0.065 25434 4380 1 11 . 1 1 79 79 SER CA C 79 58.548 58.548 57.994 0.554 25434 4381 1 11 . 1 1 79 79 SER CB C 79 63.972 63.972 63.591 0.381 25434 4382 1 11 . 1 1 79 79 SER H H 79 8.627 8.627 8.259 0.368 25434 4383 1 11 . 1 1 80 80 LYS N N 80 122.282 122.282 117.985 4.297 25434 4384 1 11 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.506 -0.109 25434 4385 1 11 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.405 0.223 25434 4386 1 11 . 1 1 80 80 LYS CB C 80 33.268 33.268 33.294 -0.026 25434 4387 1 11 . 1 1 80 80 LYS H H 80 8.359 8.359 7.838 0.521 25434 4388 1 11 . 1 1 81 81 GLU N N 81 121.390 121.390 118.942 2.448 25434 4389 1 11 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.561 -0.174 25434 4390 1 11 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.209 0.564 25434 4391 1 11 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.623 -0.249 25434 4392 1 11 . 1 1 81 81 GLU H H 81 8.521 8.521 8.432 0.089 25434 4393 1 11 . 1 1 82 82 GLY N N 82 109.657 109.657 109.319 0.338 25434 4394 1 11 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.791 -0.058 25434 4395 1 11 . 1 1 82 82 GLY H H 82 8.491 8.491 7.895 0.596 25434 4396 1 11 . 1 1 83 83 LYS N N 83 120.424 120.424 124.560 -4.136 25434 4397 1 11 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.582 -0.187 25434 4398 1 11 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.559 1.341 25434 4399 1 11 . 1 1 83 83 LYS CB C 83 33.222 33.222 30.437 2.785 25434 4400 1 11 . 1 1 83 83 LYS H H 83 8.237 8.237 8.628 -0.391 25434 4401 1 11 . 1 1 84 84 GLU N N 84 120.758 120.758 120.957 -0.199 25434 4402 1 11 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.063 0.315 25434 4403 1 11 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.962 -2.227 25434 4404 1 11 . 1 1 84 84 GLU CB C 84 30.602 30.602 28.981 1.621 25434 4405 1 11 . 1 1 84 84 GLU H H 84 8.571 8.571 8.132 0.439 25434 4406 1 11 . 1 1 85 85 LYS N N 85 122.155 122.155 118.288 3.867 25434 4407 1 11 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.414 -0.003 25434 4408 1 11 . 1 1 85 85 LYS CA C 85 56.321 56.321 54.862 1.459 25434 4409 1 11 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.291 0.902 25434 4410 1 11 . 1 1 85 85 LYS H H 85 8.558 8.558 8.132 0.426 25434 4411 1 11 . 1 1 86 86 LYS N N 86 122.185 122.185 118.637 3.548 25434 4412 1 11 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.980 0.392 25434 4413 1 11 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.425 -0.756 25434 4414 1 11 . 1 1 86 86 LYS CB C 86 33.268 33.268 30.113 3.155 25434 4415 1 11 . 1 1 86 86 LYS H H 86 8.397 8.397 8.285 0.112 25434 4416 1 11 . 1 1 87 87 GLU N N 87 124.443 124.443 109.218 15.225 25434 4417 1 11 . 1 1 87 87 GLU HA H 87 4.524 4.524 3.822 0.702 25434 4418 1 11 . 1 1 87 87 GLU CA C 87 58.257 58.257 58.129 0.128 25434 4419 1 11 . 1 1 87 87 GLU CB C 87 33.559 33.559 27.146 6.413 25434 4420 1 11 . 1 1 87 87 GLU H H 87 8.175 8.175 8.666 -0.491 25434 4421 1 11 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.243 0.544 25434 4422 1 11 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.639 -0.885 25434 4423 1 11 . 1 1 89 89 HIS CB C 89 30.327 30.327 27.482 2.845 25434 4424 1 11 . 1 1 90 90 LYS N N 90 122.178 122.178 120.294 1.884 25434 4425 1 11 . 1 1 90 90 LYS HA H 90 4.397 4.397 3.905 0.492 25434 4426 1 11 . 1 1 90 90 LYS CA C 90 56.597 56.597 57.416 -0.819 25434 4427 1 11 . 1 1 90 90 LYS CB C 90 33.222 33.222 31.789 1.433 25434 4428 1 11 . 1 1 90 90 LYS H H 90 8.335 8.335 8.475 -0.140 25434 4429 1 11 . 1 1 91 91 THR N N 91 121.268 121.268 111.834 9.434 25434 4430 1 11 . 1 1 91 91 THR HA H 91 4.453 4.453 4.398 0.055 25434 4431 1 11 . 1 1 91 91 THR CA C 91 61.956 61.956 60.420 1.536 25434 4432 1 11 . 1 1 91 91 THR CB C 91 69.916 69.916 70.678 -0.762 25434 4433 1 11 . 1 1 91 91 THR H H 91 8.047 8.047 8.051 -0.004 25434 4434 1 12 . 1 1 5 5 GLU N N 5 123.289 123.289 124.219 -0.930 25434 4435 1 12 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.304 0.230 25434 4436 1 12 . 1 1 5 5 GLU CA C 5 63.240 63.240 57.158 6.082 25434 4437 1 12 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.981 2.244 25434 4438 1 12 . 1 1 5 5 GLU H H 5 8.538 8.538 8.713 -0.175 25434 4439 1 12 . 1 1 6 6 SER N N 6 115.506 115.506 115.449 0.057 25434 4440 1 12 . 1 1 6 6 SER HA H 6 4.552 4.552 4.144 0.408 25434 4441 1 12 . 1 1 6 6 SER CA C 6 58.231 58.231 58.769 -0.538 25434 4442 1 12 . 1 1 6 6 SER CB C 6 64.028 64.028 62.401 1.627 25434 4443 1 12 . 1 1 6 6 SER H H 6 8.435 8.435 8.379 0.056 25434 4444 1 12 . 1 1 7 7 TYR N N 7 121.104 121.104 121.279 -0.175 25434 4445 1 12 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.668 0.074 25434 4446 1 12 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.079 -0.468 25434 4447 1 12 . 1 1 7 7 TYR CB C 7 39.176 39.176 41.461 -2.285 25434 4448 1 12 . 1 1 7 7 TYR H H 7 8.137 8.137 8.087 0.050 25434 4449 1 12 . 1 1 8 8 SER N N 8 116.875 116.875 117.790 -0.915 25434 4450 1 12 . 1 1 8 8 SER HA H 8 4.539 4.539 4.744 -0.205 25434 4451 1 12 . 1 1 8 8 SER CA C 8 58.327 58.327 57.546 0.781 25434 4452 1 12 . 1 1 8 8 SER CB C 8 63.958 63.958 63.401 0.557 25434 4453 1 12 . 1 1 8 8 SER H H 8 8.364 8.364 8.640 -0.276 25434 4454 1 12 . 1 1 9 9 GLN N N 9 120.999 120.999 119.810 1.189 25434 4455 1 12 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.538 -0.095 25434 4456 1 12 . 1 1 9 9 GLN CA C 9 56.678 56.678 56.108 0.570 25434 4457 1 12 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.821 0.551 25434 4458 1 12 . 1 1 9 9 GLN H H 9 8.414 8.414 7.948 0.466 25434 4459 1 12 . 1 1 10 10 TYR N N 10 121.815 121.815 118.770 3.045 25434 4460 1 12 . 1 1 10 10 TYR HA H 10 4.974 4.974 5.000 -0.026 25434 4461 1 12 . 1 1 10 10 TYR CA C 10 56.383 56.383 56.201 0.182 25434 4462 1 12 . 1 1 10 10 TYR CB C 10 40.009 40.009 40.010 -0.001 25434 4463 1 12 . 1 1 10 10 TYR H H 10 8.549 8.549 8.895 -0.346 25434 4464 1 12 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.610 0.006 25434 4465 1 12 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.898 -0.899 25434 4466 1 12 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.502 -0.299 25434 4467 1 12 . 1 1 12 12 VAL N N 12 120.450 120.450 119.233 1.217 25434 4468 1 12 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.098 -0.298 25434 4469 1 12 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.007 0.450 25434 4470 1 12 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.650 0.601 25434 4471 1 12 . 1 1 12 12 VAL H H 12 8.074 8.074 8.330 -0.256 25434 4472 1 12 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.460 -0.442 25434 4473 1 12 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.614 0.566 25434 4474 1 12 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.971 -0.339 25434 4475 1 12 . 1 1 14 14 ASP N N 14 120.579 120.579 117.060 3.519 25434 4476 1 12 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.561 0.150 25434 4477 1 12 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.965 -0.891 25434 4478 1 12 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.599 -2.549 25434 4479 1 12 . 1 1 14 14 ASP H H 14 8.148 8.148 7.992 0.156 25434 4480 1 12 . 1 1 15 15 VAL N N 15 120.884 120.884 124.680 -3.796 25434 4481 1 12 . 1 1 15 15 VAL HA H 15 2.170 2.170 2.143 0.027 25434 4482 1 12 . 1 1 15 15 VAL CA C 15 62.769 62.769 64.011 -1.242 25434 4483 1 12 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.340 -0.443 25434 4484 1 12 . 1 1 15 15 VAL H H 15 8.161 8.161 8.189 -0.028 25434 4485 1 12 . 1 1 16 16 SER N N 16 116.885 116.885 114.286 2.599 25434 4486 1 12 . 1 1 16 16 SER HA H 16 4.294 4.294 4.176 0.118 25434 4487 1 12 . 1 1 16 16 SER CA C 16 61.011 61.011 60.007 1.004 25434 4488 1 12 . 1 1 16 16 SER CB C 16 63.004 63.004 62.728 0.276 25434 4489 1 12 . 1 1 16 16 SER H H 16 8.139 8.139 8.238 -0.099 25434 4490 1 12 . 1 1 17 17 THR N N 17 110.397 110.397 112.165 -1.768 25434 4491 1 12 . 1 1 17 17 THR HA H 17 4.558 4.558 4.384 0.174 25434 4492 1 12 . 1 1 17 17 THR CA C 17 61.987 61.987 62.407 -0.420 25434 4493 1 12 . 1 1 17 17 THR CB C 17 70.459 70.459 69.747 0.712 25434 4494 1 12 . 1 1 17 17 THR H H 17 7.549 7.549 7.261 0.288 25434 4495 1 12 . 1 1 18 18 TYR N N 18 120.956 120.956 122.097 -1.141 25434 4496 1 12 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.900 0.268 25434 4497 1 12 . 1 1 18 18 TYR CA C 18 54.823 54.823 55.956 -1.133 25434 4498 1 12 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.963 -2.223 25434 4499 1 12 . 1 1 18 18 TYR H H 18 7.365 7.365 7.382 -0.017 25434 4500 1 12 . 1 1 19 19 GLN N N 19 119.670 119.670 119.619 0.051 25434 4501 1 12 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.792 0.260 25434 4502 1 12 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.413 -0.027 25434 4503 1 12 . 1 1 19 19 GLN CB C 19 31.447 31.447 31.571 -0.124 25434 4504 1 12 . 1 1 19 19 GLN H H 19 9.372 9.372 8.703 0.669 25434 4505 1 12 . 1 1 20 20 TYR N N 20 126.395 126.395 127.262 -0.867 25434 4506 1 12 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.081 0.021 25434 4507 1 12 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.504 -0.130 25434 4508 1 12 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.834 0.192 25434 4509 1 12 . 1 1 20 20 TYR H H 20 9.433 9.433 8.935 0.498 25434 4510 1 12 . 1 1 21 21 ASP N N 21 128.962 128.962 127.997 0.965 25434 4511 1 12 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.889 -0.009 25434 4512 1 12 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.325 -0.992 25434 4513 1 12 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.127 0.205 25434 4514 1 12 . 1 1 21 21 ASP H H 21 8.128 8.128 7.551 0.577 25434 4515 1 12 . 1 1 22 22 GLU N N 22 124.636 124.636 123.195 1.441 25434 4516 1 12 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.949 -0.151 25434 4517 1 12 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.570 0.063 25434 4518 1 12 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.054 0.658 25434 4519 1 12 . 1 1 22 22 GLU H H 22 8.768 8.768 8.901 -0.133 25434 4520 1 12 . 1 1 23 23 THR N N 23 112.402 112.402 112.901 -0.499 25434 4521 1 12 . 1 1 23 23 THR HA H 23 4.045 4.045 4.138 -0.093 25434 4522 1 12 . 1 1 23 23 THR CA C 23 65.526 65.526 64.187 1.339 25434 4523 1 12 . 1 1 23 23 THR CB C 23 68.434 68.434 69.166 -0.732 25434 4524 1 12 . 1 1 23 23 THR H H 23 8.031 8.031 7.875 0.156 25434 4525 1 12 . 1 1 24 24 SER N N 24 113.712 113.712 113.192 0.520 25434 4526 1 12 . 1 1 24 24 SER HA H 24 4.327 4.327 4.634 -0.307 25434 4527 1 12 . 1 1 24 24 SER CA C 24 59.046 59.046 58.389 0.657 25434 4528 1 12 . 1 1 24 24 SER CB C 24 65.024 65.024 66.183 -1.159 25434 4529 1 12 . 1 1 24 24 SER H H 24 7.503 7.503 7.898 -0.395 25434 4530 1 12 . 1 1 25 25 GLY N N 25 111.227 111.227 110.132 1.095 25434 4531 1 12 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.511 0.116 25434 4532 1 12 . 1 1 25 25 GLY H H 25 8.304 8.304 8.283 0.021 25434 4533 1 12 . 1 1 26 26 TYR N N 26 117.907 117.907 118.873 -0.966 25434 4534 1 12 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.912 0.475 25434 4535 1 12 . 1 1 26 26 TYR CA C 26 55.006 55.006 56.745 -1.739 25434 4536 1 12 . 1 1 26 26 TYR CB C 26 40.743 40.743 40.456 0.287 25434 4537 1 12 . 1 1 26 26 TYR H H 26 7.951 7.951 7.334 0.617 25434 4538 1 12 . 1 1 27 27 TYR N N 27 116.474 116.474 119.998 -3.524 25434 4539 1 12 . 1 1 27 27 TYR HA H 27 5.358 5.358 4.851 0.507 25434 4540 1 12 . 1 1 27 27 TYR CA C 27 58.243 58.243 58.987 -0.744 25434 4541 1 12 . 1 1 27 27 TYR CB C 27 41.412 41.412 39.919 1.493 25434 4542 1 12 . 1 1 27 27 TYR H H 27 9.253 9.253 9.425 -0.172 25434 4543 1 12 . 1 1 28 28 TYR N N 28 122.756 122.756 123.434 -0.678 25434 4544 1 12 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.152 0.626 25434 4545 1 12 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.643 1.340 25434 4546 1 12 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.037 0.958 25434 4547 1 12 . 1 1 28 28 TYR H H 28 9.686 9.686 9.317 0.369 25434 4548 1 12 . 1 1 29 29 ASP N N 29 125.994 125.994 127.535 -1.541 25434 4549 1 12 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.569 0.183 25434 4550 1 12 . 1 1 29 29 ASP CA C 29 49.202 49.202 51.222 -2.020 25434 4551 1 12 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.567 1.598 25434 4552 1 12 . 1 1 29 29 ASP H H 29 7.954 7.954 8.024 -0.070 25434 4553 1 12 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.930 0.140 25434 4554 1 12 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.646 -1.038 25434 4555 1 12 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.476 1.116 25434 4556 1 12 . 1 1 31 31 GLN N N 31 115.244 115.244 117.930 -2.686 25434 4557 1 12 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.164 0.068 25434 4558 1 12 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.880 0.637 25434 4559 1 12 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.254 0.051 25434 4560 1 12 . 1 1 31 31 GLN H H 31 7.989 7.989 8.224 -0.235 25434 4561 1 12 . 1 1 32 32 THR N N 32 104.641 104.641 107.308 -2.667 25434 4562 1 12 . 1 1 32 32 THR HA H 32 4.332 4.332 4.467 -0.135 25434 4563 1 12 . 1 1 32 32 THR CA C 32 61.768 61.768 61.795 -0.027 25434 4564 1 12 . 1 1 32 32 THR CB C 32 71.212 71.212 71.400 -0.188 25434 4565 1 12 . 1 1 32 32 THR H H 32 6.765 6.765 7.477 -0.712 25434 4566 1 12 . 1 1 33 33 GLY N N 33 111.318 111.318 110.719 0.599 25434 4567 1 12 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.601 -0.074 25434 4568 1 12 . 1 1 33 33 GLY H H 33 8.439 8.439 8.344 0.095 25434 4569 1 12 . 1 1 34 34 LEU N N 34 118.537 118.537 119.479 -0.942 25434 4570 1 12 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.642 -0.041 25434 4571 1 12 . 1 1 34 34 LEU CA C 34 54.021 54.021 52.812 1.209 25434 4572 1 12 . 1 1 34 34 LEU CB C 34 44.529 44.529 41.831 2.698 25434 4573 1 12 . 1 1 34 34 LEU H H 34 7.422 7.422 7.304 0.118 25434 4574 1 12 . 1 1 35 35 TYR N N 35 116.166 116.166 116.538 -0.372 25434 4575 1 12 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.141 0.381 25434 4576 1 12 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.300 -0.054 25434 4577 1 12 . 1 1 35 35 TYR CB C 35 40.876 40.876 41.444 -0.568 25434 4578 1 12 . 1 1 35 35 TYR H H 35 8.692 8.692 8.561 0.131 25434 4579 1 12 . 1 1 36 36 TYR N N 36 121.442 121.442 124.721 -3.279 25434 4580 1 12 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.380 0.577 25434 4581 1 12 . 1 1 36 36 TYR CA C 36 56.977 56.977 58.101 -1.124 25434 4582 1 12 . 1 1 36 36 TYR CB C 36 42.714 42.714 41.304 1.409 25434 4583 1 12 . 1 1 36 36 TYR H H 36 9.745 9.745 8.778 0.967 25434 4584 1 12 . 1 1 37 37 ASP N N 37 127.129 127.129 122.945 4.184 25434 4585 1 12 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.935 0.306 25434 4586 1 12 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.496 -0.214 25434 4587 1 12 . 1 1 37 37 ASP CB C 37 42.859 42.859 43.947 -1.089 25434 4588 1 12 . 1 1 37 37 ASP H H 37 8.029 8.029 7.087 0.942 25434 4589 1 12 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.432 -0.353 25434 4590 1 12 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.142 -0.413 25434 4591 1 12 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.489 -0.001 25434 4592 1 12 . 1 1 39 39 ASN N N 39 115.838 115.838 116.846 -1.008 25434 4593 1 12 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.589 0.089 25434 4594 1 12 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.709 1.010 25434 4595 1 12 . 1 1 39 39 ASN CB C 39 38.987 38.987 40.399 -1.412 25434 4596 1 12 . 1 1 39 39 ASN H H 39 8.232 8.232 8.790 -0.558 25434 4597 1 12 . 1 1 40 40 SER N N 40 112.476 112.476 115.878 -3.402 25434 4598 1 12 . 1 1 40 40 SER HA H 40 4.346 4.346 4.553 -0.207 25434 4599 1 12 . 1 1 40 40 SER CA C 40 58.832 58.832 56.935 1.897 25434 4600 1 12 . 1 1 40 40 SER CB C 40 64.576 64.576 63.687 0.889 25434 4601 1 12 . 1 1 40 40 SER H H 40 7.371 7.371 8.018 -0.647 25434 4602 1 12 . 1 1 41 41 GLN N N 41 114.329 114.329 122.078 -7.749 25434 4603 1 12 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.586 0.194 25434 4604 1 12 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.603 1.559 25434 4605 1 12 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.596 -2.619 25434 4606 1 12 . 1 1 41 41 GLN H H 41 8.203 8.203 8.570 -0.367 25434 4607 1 12 . 1 1 42 42 TYR N N 42 115.202 115.202 118.584 -3.382 25434 4608 1 12 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.740 0.781 25434 4609 1 12 . 1 1 42 42 TYR CA C 42 56.636 56.636 56.792 -0.156 25434 4610 1 12 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.555 3.826 25434 4611 1 12 . 1 1 42 42 TYR H H 42 7.621 7.621 7.537 0.084 25434 4612 1 12 . 1 1 43 43 TYR N N 43 118.608 118.608 124.895 -6.287 25434 4613 1 12 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.668 1.027 25434 4614 1 12 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.544 -2.223 25434 4615 1 12 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.825 2.033 25434 4616 1 12 . 1 1 43 43 TYR H H 43 9.724 9.724 9.225 0.499 25434 4617 1 12 . 1 1 44 44 TYR N N 44 121.727 121.727 123.293 -1.566 25434 4618 1 12 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.620 0.562 25434 4619 1 12 . 1 1 44 44 TYR CA C 44 56.548 56.548 55.524 1.024 25434 4620 1 12 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.688 2.575 25434 4621 1 12 . 1 1 44 44 TYR H H 44 9.594 9.594 9.398 0.196 25434 4622 1 12 . 1 1 45 45 ASN N N 45 125.423 125.423 127.418 -1.995 25434 4623 1 12 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.727 0.278 25434 4624 1 12 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.458 0.462 25434 4625 1 12 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.040 1.231 25434 4626 1 12 . 1 1 45 45 ASN H H 45 8.244 8.244 9.003 -0.759 25434 4627 1 12 . 1 1 46 46 ALA N N 46 126.039 126.039 126.478 -0.439 25434 4628 1 12 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.367 0.410 25434 4629 1 12 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.494 -0.721 25434 4630 1 12 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.114 1.040 25434 4631 1 12 . 1 1 46 46 ALA H H 46 8.974 8.974 7.582 1.392 25434 4632 1 12 . 1 1 47 47 GLN N N 47 116.850 116.850 118.630 -1.780 25434 4633 1 12 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.056 0.238 25434 4634 1 12 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.309 0.319 25434 4635 1 12 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.966 -0.443 25434 4636 1 12 . 1 1 47 47 GLN H H 47 8.349 8.349 8.578 -0.229 25434 4637 1 12 . 1 1 48 48 SER N N 48 111.872 111.872 110.859 1.013 25434 4638 1 12 . 1 1 48 48 SER HA H 48 4.474 4.474 4.713 -0.239 25434 4639 1 12 . 1 1 48 48 SER CA C 48 57.580 57.580 57.980 -0.400 25434 4640 1 12 . 1 1 48 48 SER CB C 48 64.262 64.262 64.670 -0.408 25434 4641 1 12 . 1 1 48 48 SER H H 48 7.544 7.544 7.644 -0.100 25434 4642 1 12 . 1 1 49 49 GLN N N 49 118.063 118.063 117.767 0.296 25434 4643 1 12 . 1 1 49 49 GLN HA H 49 3.721 3.721 4.049 -0.328 25434 4644 1 12 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.586 -0.411 25434 4645 1 12 . 1 1 49 49 GLN CB C 49 25.933 25.933 27.175 -1.242 25434 4646 1 12 . 1 1 49 49 GLN H H 49 7.969 7.969 7.936 0.033 25434 4647 1 12 . 1 1 50 50 GLN N N 50 116.254 116.254 116.012 0.242 25434 4648 1 12 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.584 0.235 25434 4649 1 12 . 1 1 50 50 GLN CA C 50 54.501 54.501 55.224 -0.723 25434 4650 1 12 . 1 1 50 50 GLN CB C 50 33.410 33.410 30.257 3.153 25434 4651 1 12 . 1 1 50 50 GLN H H 50 7.180 7.180 7.454 -0.274 25434 4652 1 12 . 1 1 51 51 TYR N N 51 121.463 121.463 119.848 1.615 25434 4653 1 12 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.706 -0.026 25434 4654 1 12 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.913 1.257 25434 4655 1 12 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.511 -0.445 25434 4656 1 12 . 1 1 51 51 TYR H H 51 8.931 8.931 8.732 0.199 25434 4657 1 12 . 1 1 52 52 LEU N N 52 122.429 122.429 123.599 -1.170 25434 4658 1 12 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.529 0.019 25434 4659 1 12 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.379 1.054 25434 4660 1 12 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.399 1.650 25434 4661 1 12 . 1 1 52 52 LEU H H 52 9.726 9.726 8.799 0.927 25434 4662 1 12 . 1 1 53 53 TYR N N 53 117.639 117.639 114.936 2.703 25434 4663 1 12 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.556 0.321 25434 4664 1 12 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.421 0.296 25434 4665 1 12 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.935 0.192 25434 4666 1 12 . 1 1 53 53 TYR H H 53 9.533 9.533 9.240 0.293 25434 4667 1 12 . 1 1 54 54 TRP N N 54 122.206 122.206 124.859 -2.653 25434 4668 1 12 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.225 0.281 25434 4669 1 12 . 1 1 54 54 TRP CA C 54 56.813 56.813 57.238 -0.425 25434 4670 1 12 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.133 0.215 25434 4671 1 12 . 1 1 54 54 TRP H H 54 9.253 9.253 9.360 -0.107 25434 4672 1 12 . 1 1 55 55 ASP N N 55 128.978 128.978 128.350 0.628 25434 4673 1 12 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.588 0.107 25434 4674 1 12 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.409 -0.526 25434 4675 1 12 . 1 1 55 55 ASP CB C 55 42.843 42.843 41.164 1.679 25434 4676 1 12 . 1 1 55 55 ASP H H 55 8.031 8.031 7.557 0.474 25434 4677 1 12 . 1 1 56 56 GLY N N 56 111.521 111.521 111.087 0.434 25434 4678 1 12 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.328 0.447 25434 4679 1 12 . 1 1 56 56 GLY H H 56 8.548 8.548 8.222 0.326 25434 4680 1 12 . 1 1 57 57 GLU N N 57 120.202 120.202 119.281 0.921 25434 4681 1 12 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.040 0.253 25434 4682 1 12 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.230 0.088 25434 4683 1 12 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.941 -0.058 25434 4684 1 12 . 1 1 57 57 GLU H H 57 8.188 8.188 7.843 0.345 25434 4685 1 12 . 1 1 58 58 ARG N N 58 116.912 116.912 115.468 1.444 25434 4686 1 12 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.468 -0.337 25434 4687 1 12 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.192 1.250 25434 4688 1 12 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.538 0.349 25434 4689 1 12 . 1 1 58 58 ARG H H 58 7.636 7.636 7.784 -0.148 25434 4690 1 12 . 1 1 59 59 ARG N N 59 116.563 116.563 117.313 -0.750 25434 4691 1 12 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.480 -0.243 25434 4692 1 12 . 1 1 59 59 ARG CA C 59 56.732 56.732 57.111 -0.379 25434 4693 1 12 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.312 -0.678 25434 4694 1 12 . 1 1 59 59 ARG H H 59 7.878 7.878 7.700 0.178 25434 4695 1 12 . 1 1 60 60 THR N N 60 109.170 109.170 111.094 -1.924 25434 4696 1 12 . 1 1 60 60 THR HA H 60 4.516 4.516 4.961 -0.445 25434 4697 1 12 . 1 1 60 60 THR CA C 60 60.050 60.050 59.699 0.351 25434 4698 1 12 . 1 1 60 60 THR CB C 60 69.758 69.758 71.091 -1.333 25434 4699 1 12 . 1 1 60 60 THR H H 60 6.591 6.591 6.880 -0.289 25434 4700 1 12 . 1 1 61 61 TYR N N 61 120.491 120.491 120.504 -0.013 25434 4701 1 12 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.165 -0.090 25434 4702 1 12 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.302 1.091 25434 4703 1 12 . 1 1 61 61 TYR CB C 61 40.381 40.381 40.131 0.250 25434 4704 1 12 . 1 1 61 61 TYR H H 61 7.474 7.474 8.466 -0.992 25434 4705 1 12 . 1 1 62 62 VAL N N 62 123.115 123.115 118.132 4.983 25434 4706 1 12 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.749 -0.105 25434 4707 1 12 . 1 1 62 62 VAL CA C 62 58.610 58.610 58.010 0.600 25434 4708 1 12 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.184 0.234 25434 4709 1 12 . 1 1 62 62 VAL H H 62 9.176 9.176 8.762 0.414 25434 4710 1 12 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.744 0.020 25434 4711 1 12 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.565 1.076 25434 4712 1 12 . 1 1 63 63 PRO CB C 63 32.558 32.558 32.072 0.486 25434 4713 1 12 . 1 1 64 64 ALA N N 64 126.032 126.032 125.692 0.340 25434 4714 1 12 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.735 -0.090 25434 4715 1 12 . 1 1 64 64 ALA CA C 64 52.126 52.126 51.127 0.999 25434 4716 1 12 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.961 -0.209 25434 4717 1 12 . 1 1 64 64 ALA H H 64 8.708 8.708 8.792 -0.084 25434 4718 1 12 . 1 1 65 65 LEU N N 65 120.884 120.884 119.633 1.251 25434 4719 1 12 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.117 0.374 25434 4720 1 12 . 1 1 65 65 LEU CA C 65 55.656 55.656 56.687 -1.031 25434 4721 1 12 . 1 1 65 65 LEU CB C 65 42.638 42.638 42.145 0.493 25434 4722 1 12 . 1 1 65 65 LEU H H 65 8.469 8.469 8.162 0.307 25434 4723 1 12 . 1 1 66 66 GLU N N 66 115.912 115.912 113.184 2.728 25434 4724 1 12 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.623 -0.077 25434 4725 1 12 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.020 -0.240 25434 4726 1 12 . 1 1 66 66 GLU CB C 66 33.027 33.027 32.513 0.514 25434 4727 1 12 . 1 1 66 66 GLU H H 66 8.328 8.328 7.913 0.414 25434 4728 1 12 . 1 1 67 67 GLN N N 67 120.380 120.380 119.748 0.632 25434 4729 1 12 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.616 -0.134 25434 4730 1 12 . 1 1 67 67 GLN CA C 67 55.771 55.771 55.862 -0.091 25434 4731 1 12 . 1 1 67 67 GLN CB C 67 29.740 29.740 30.994 -1.254 25434 4732 1 12 . 1 1 67 67 GLN H H 67 8.478 8.478 8.821 -0.343 25434 4733 1 12 . 1 1 68 68 SER N N 68 116.287 116.287 114.502 1.785 25434 4734 1 12 . 1 1 68 68 SER HA H 68 4.575 4.575 4.725 -0.150 25434 4735 1 12 . 1 1 68 68 SER CA C 68 58.309 58.309 57.312 0.997 25434 4736 1 12 . 1 1 68 68 SER CB C 68 64.119 64.119 63.407 0.712 25434 4737 1 12 . 1 1 68 68 SER H H 68 8.370 8.370 8.060 0.310 25434 4738 1 12 . 1 1 69 69 ALA N N 69 125.968 125.968 127.636 -1.668 25434 4739 1 12 . 1 1 69 69 ALA HA H 69 4.443 4.443 3.987 0.456 25434 4740 1 12 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.995 -0.014 25434 4741 1 12 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.664 0.701 25434 4742 1 12 . 1 1 69 69 ALA H H 69 8.533 8.533 8.162 0.371 25434 4743 1 12 . 1 1 70 70 ASP N N 70 118.262 118.262 121.871 -3.609 25434 4744 1 12 . 1 1 70 70 ASP HA H 70 4.682 4.682 5.059 -0.377 25434 4745 1 12 . 1 1 70 70 ASP CA C 70 54.469 54.469 53.880 0.589 25434 4746 1 12 . 1 1 70 70 ASP CB C 70 41.379 41.379 42.094 -0.715 25434 4747 1 12 . 1 1 70 70 ASP H H 70 8.300 8.300 8.437 -0.137 25434 4748 1 12 . 1 1 71 71 GLY N N 71 108.495 108.495 114.751 -6.256 25434 4749 1 12 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.556 0.266 25434 4750 1 12 . 1 1 71 71 GLY H H 71 8.291 8.291 8.066 0.225 25434 4751 1 12 . 1 1 72 72 HIS N N 72 118.240 118.240 118.739 -0.499 25434 4752 1 12 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.408 0.359 25434 4753 1 12 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.964 -1.118 25434 4754 1 12 . 1 1 72 72 HIS CB C 72 29.363 29.363 29.214 0.149 25434 4755 1 12 . 1 1 72 72 HIS H H 72 8.354 8.354 8.849 -0.495 25434 4756 1 12 . 1 1 73 73 LYS N N 73 121.591 121.591 119.901 1.690 25434 4757 1 12 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.075 0.368 25434 4758 1 12 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.073 1.528 25434 4759 1 12 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.187 -0.054 25434 4760 1 12 . 1 1 73 73 LYS H H 73 8.457 8.457 7.465 0.992 25434 4761 1 12 . 1 1 74 74 GLU N N 74 122.169 122.169 119.694 2.475 25434 4762 1 12 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.188 0.306 25434 4763 1 12 . 1 1 74 74 GLU CA C 74 56.565 56.565 56.854 -0.289 25434 4764 1 12 . 1 1 74 74 GLU CB C 74 30.327 30.327 29.955 0.372 25434 4765 1 12 . 1 1 74 74 GLU H H 74 8.669 8.669 8.442 0.227 25434 4766 1 12 . 1 1 75 75 THR N N 75 114.560 114.560 111.943 2.617 25434 4767 1 12 . 1 1 75 75 THR HA H 75 4.463 4.463 4.014 0.449 25434 4768 1 12 . 1 1 75 75 THR CA C 75 61.998 61.998 63.681 -1.683 25434 4769 1 12 . 1 1 75 75 THR CB C 75 69.901 69.901 69.084 0.817 25434 4770 1 12 . 1 1 75 75 THR H H 75 8.313 8.313 8.303 0.010 25434 4771 1 12 . 1 1 76 76 GLY N N 76 110.986 110.986 104.646 6.340 25434 4772 1 12 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.813 0.581 25434 4773 1 12 . 1 1 76 76 GLY H H 76 8.493 8.493 7.441 1.052 25434 4774 1 12 . 1 1 77 77 ALA N N 77 123.316 123.316 120.094 3.222 25434 4775 1 12 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.833 -0.199 25434 4776 1 12 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.143 0.468 25434 4777 1 12 . 1 1 77 77 ALA CB C 77 18.471 18.471 20.650 -2.179 25434 4778 1 12 . 1 1 77 77 ALA H H 77 8.025 8.025 7.649 0.376 25434 4779 1 12 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.399 0.329 25434 4780 1 12 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.503 -0.534 25434 4781 1 12 . 1 1 79 79 SER N N 79 116.876 116.876 116.810 0.066 25434 4782 1 12 . 1 1 79 79 SER HA H 79 4.543 4.543 4.558 -0.015 25434 4783 1 12 . 1 1 79 79 SER CA C 79 58.548 58.548 58.341 0.207 25434 4784 1 12 . 1 1 79 79 SER CB C 79 63.972 63.972 64.200 -0.228 25434 4785 1 12 . 1 1 79 79 SER H H 79 8.627 8.627 8.031 0.596 25434 4786 1 12 . 1 1 80 80 LYS N N 80 122.282 122.282 120.257 2.025 25434 4787 1 12 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.421 -0.024 25434 4788 1 12 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.616 0.012 25434 4789 1 12 . 1 1 80 80 LYS CB C 80 33.268 33.268 33.498 -0.230 25434 4790 1 12 . 1 1 80 80 LYS H H 80 8.359 8.359 8.138 0.221 25434 4791 1 12 . 1 1 81 81 GLU N N 81 121.390 121.390 120.639 0.751 25434 4792 1 12 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.486 -0.099 25434 4793 1 12 . 1 1 81 81 GLU CA C 81 56.773 56.773 55.385 1.388 25434 4794 1 12 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.399 0.975 25434 4795 1 12 . 1 1 81 81 GLU H H 81 8.521 8.521 7.997 0.524 25434 4796 1 12 . 1 1 82 82 GLY N N 82 109.657 109.657 115.347 -5.690 25434 4797 1 12 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.619 0.114 25434 4798 1 12 . 1 1 82 82 GLY H H 82 8.491 8.491 8.738 -0.247 25434 4799 1 12 . 1 1 83 83 LYS N N 83 120.424 120.424 123.255 -2.831 25434 4800 1 12 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.093 0.302 25434 4801 1 12 . 1 1 83 83 LYS CA C 83 56.900 56.900 57.311 -0.411 25434 4802 1 12 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.292 0.930 25434 4803 1 12 . 1 1 83 83 LYS H H 83 8.237 8.237 8.216 0.021 25434 4804 1 12 . 1 1 84 84 GLU N N 84 120.758 120.758 118.833 1.925 25434 4805 1 12 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.060 0.318 25434 4806 1 12 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.631 -1.896 25434 4807 1 12 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.235 1.367 25434 4808 1 12 . 1 1 84 84 GLU H H 84 8.571 8.571 8.144 0.427 25434 4809 1 12 . 1 1 85 85 LYS N N 85 122.155 122.155 117.195 4.960 25434 4810 1 12 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.482 -0.071 25434 4811 1 12 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.022 1.299 25434 4812 1 12 . 1 1 85 85 LYS CB C 85 33.193 33.193 34.069 -0.876 25434 4813 1 12 . 1 1 85 85 LYS H H 85 8.558 8.558 7.574 0.984 25434 4814 1 12 . 1 1 86 86 LYS N N 86 122.185 122.185 117.456 4.729 25434 4815 1 12 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.983 0.389 25434 4816 1 12 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.283 -0.614 25434 4817 1 12 . 1 1 86 86 LYS CB C 86 33.268 33.268 31.686 1.582 25434 4818 1 12 . 1 1 86 86 LYS H H 86 8.397 8.397 7.550 0.847 25434 4819 1 12 . 1 1 87 87 GLU N N 87 124.443 124.443 122.214 2.229 25434 4820 1 12 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.369 0.155 25434 4821 1 12 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.478 0.779 25434 4822 1 12 . 1 1 87 87 GLU CB C 87 33.559 33.559 29.994 3.565 25434 4823 1 12 . 1 1 87 87 GLU H H 87 8.175 8.175 8.560 -0.385 25434 4824 1 12 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.447 0.340 25434 4825 1 12 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.818 -1.063 25434 4826 1 12 . 1 1 89 89 HIS CB C 89 30.327 30.327 28.694 1.633 25434 4827 1 12 . 1 1 90 90 LYS N N 90 122.178 122.178 119.941 2.237 25434 4828 1 12 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.477 -0.080 25434 4829 1 12 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.268 0.329 25434 4830 1 12 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.206 0.016 25434 4831 1 12 . 1 1 90 90 LYS H H 90 8.335 8.335 8.044 0.291 25434 4832 1 12 . 1 1 91 91 THR N N 91 121.268 121.268 114.422 6.846 25434 4833 1 12 . 1 1 91 91 THR HA H 91 4.453 4.453 4.625 -0.172 25434 4834 1 12 . 1 1 91 91 THR CA C 91 61.956 61.956 61.867 0.089 25434 4835 1 12 . 1 1 91 91 THR CB C 91 69.916 69.916 69.722 0.195 25434 4836 1 12 . 1 1 91 91 THR H H 91 8.047 8.047 7.778 0.269 25434 4837 1 13 . 1 1 5 5 GLU N N 5 123.289 123.289 119.245 4.044 25434 4838 1 13 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.432 0.102 25434 4839 1 13 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.200 7.040 25434 4840 1 13 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.817 1.407 25434 4841 1 13 . 1 1 5 5 GLU H H 5 8.538 8.538 8.739 -0.201 25434 4842 1 13 . 1 1 6 6 SER N N 6 115.506 115.506 114.904 0.602 25434 4843 1 13 . 1 1 6 6 SER HA H 6 4.552 4.552 4.236 0.316 25434 4844 1 13 . 1 1 6 6 SER CA C 6 58.231 58.231 58.805 -0.574 25434 4845 1 13 . 1 1 6 6 SER CB C 6 64.028 64.028 62.369 1.659 25434 4846 1 13 . 1 1 6 6 SER H H 6 8.435 8.435 8.417 0.018 25434 4847 1 13 . 1 1 7 7 TYR N N 7 121.104 121.104 121.528 -0.424 25434 4848 1 13 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.413 0.329 25434 4849 1 13 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.257 -0.645 25434 4850 1 13 . 1 1 7 7 TYR CB C 7 39.176 39.176 39.226 -0.050 25434 4851 1 13 . 1 1 7 7 TYR H H 7 8.137 8.137 8.126 0.011 25434 4852 1 13 . 1 1 8 8 SER N N 8 116.875 116.875 114.426 2.449 25434 4853 1 13 . 1 1 8 8 SER HA H 8 4.539 4.539 4.191 0.348 25434 4854 1 13 . 1 1 8 8 SER CA C 8 58.327 58.327 58.507 -0.180 25434 4855 1 13 . 1 1 8 8 SER CB C 8 63.958 63.958 62.901 1.057 25434 4856 1 13 . 1 1 8 8 SER H H 8 8.364 8.364 8.286 0.078 25434 4857 1 13 . 1 1 9 9 GLN N N 9 120.999 120.999 121.875 -0.876 25434 4858 1 13 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.034 0.409 25434 4859 1 13 . 1 1 9 9 GLN CA C 9 56.678 56.678 58.263 -1.585 25434 4860 1 13 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.282 1.090 25434 4861 1 13 . 1 1 9 9 GLN H H 9 8.414 8.414 8.393 0.021 25434 4862 1 13 . 1 1 10 10 TYR N N 10 121.815 121.815 117.449 4.366 25434 4863 1 13 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.846 0.128 25434 4864 1 13 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.971 0.412 25434 4865 1 13 . 1 1 10 10 TYR CB C 10 40.009 40.009 39.837 0.172 25434 4866 1 13 . 1 1 10 10 TYR H H 10 8.549 8.549 7.884 0.665 25434 4867 1 13 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.506 0.110 25434 4868 1 13 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.336 -0.337 25434 4869 1 13 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.807 -0.604 25434 4870 1 13 . 1 1 12 12 VAL N N 12 120.450 120.450 119.066 1.384 25434 4871 1 13 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.292 -0.492 25434 4872 1 13 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.168 1.289 25434 4873 1 13 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.004 1.247 25434 4874 1 13 . 1 1 12 12 VAL H H 12 8.074 8.074 8.279 -0.205 25434 4875 1 13 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.425 -0.407 25434 4876 1 13 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.684 0.496 25434 4877 1 13 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.924 -0.292 25434 4878 1 13 . 1 1 14 14 ASP N N 14 120.579 120.579 119.070 1.509 25434 4879 1 13 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.537 0.174 25434 4880 1 13 . 1 1 14 14 ASP CA C 14 52.074 52.074 53.240 -1.167 25434 4881 1 13 . 1 1 14 14 ASP CB C 14 41.050 41.050 41.729 -0.679 25434 4882 1 13 . 1 1 14 14 ASP H H 14 8.148 8.148 8.257 -0.109 25434 4883 1 13 . 1 1 15 15 VAL N N 15 120.884 120.884 118.515 2.369 25434 4884 1 13 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.820 0.350 25434 4885 1 13 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.995 -1.226 25434 4886 1 13 . 1 1 15 15 VAL CB C 15 30.897 30.897 30.789 0.108 25434 4887 1 13 . 1 1 15 15 VAL H H 15 8.161 8.161 8.047 0.114 25434 4888 1 13 . 1 1 16 16 SER N N 16 116.885 116.885 115.863 1.022 25434 4889 1 13 . 1 1 16 16 SER HA H 16 4.294 4.294 4.260 0.034 25434 4890 1 13 . 1 1 16 16 SER CA C 16 61.011 61.011 60.505 0.506 25434 4891 1 13 . 1 1 16 16 SER CB C 16 63.004 63.004 62.796 0.208 25434 4892 1 13 . 1 1 16 16 SER H H 16 8.139 8.139 8.120 0.019 25434 4893 1 13 . 1 1 17 17 THR N N 17 110.397 110.397 109.162 1.235 25434 4894 1 13 . 1 1 17 17 THR HA H 17 4.558 4.558 4.308 0.250 25434 4895 1 13 . 1 1 17 17 THR CA C 17 61.987 61.987 61.956 0.030 25434 4896 1 13 . 1 1 17 17 THR CB C 17 70.459 70.459 69.183 1.276 25434 4897 1 13 . 1 1 17 17 THR H H 17 7.549 7.549 7.636 -0.087 25434 4898 1 13 . 1 1 18 18 TYR N N 18 120.956 120.956 122.564 -1.608 25434 4899 1 13 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.588 0.580 25434 4900 1 13 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.727 -1.904 25434 4901 1 13 . 1 1 18 18 TYR CB C 18 37.740 37.740 38.944 -1.204 25434 4902 1 13 . 1 1 18 18 TYR H H 18 7.365 7.365 7.559 -0.194 25434 4903 1 13 . 1 1 19 19 GLN N N 19 119.670 119.670 122.158 -2.488 25434 4904 1 13 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.555 0.497 25434 4905 1 13 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.599 -0.213 25434 4906 1 13 . 1 1 19 19 GLN CB C 19 31.447 31.447 29.294 2.153 25434 4907 1 13 . 1 1 19 19 GLN H H 19 9.372 9.372 8.875 0.497 25434 4908 1 13 . 1 1 20 20 TYR N N 20 126.395 126.395 128.875 -2.480 25434 4909 1 13 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.240 -0.138 25434 4910 1 13 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.635 -0.261 25434 4911 1 13 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.900 0.126 25434 4912 1 13 . 1 1 20 20 TYR H H 20 9.433 9.433 8.674 0.759 25434 4913 1 13 . 1 1 21 21 ASP N N 21 128.962 128.962 128.096 0.866 25434 4914 1 13 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.849 0.031 25434 4915 1 13 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.737 -0.404 25434 4916 1 13 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.388 0.944 25434 4917 1 13 . 1 1 21 21 ASP H H 21 8.128 8.128 7.915 0.213 25434 4918 1 13 . 1 1 22 22 GLU N N 22 124.636 124.636 124.167 0.469 25434 4919 1 13 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.511 0.287 25434 4920 1 13 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.989 -0.356 25434 4921 1 13 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.165 0.547 25434 4922 1 13 . 1 1 22 22 GLU H H 22 8.768 8.768 8.607 0.161 25434 4923 1 13 . 1 1 23 23 THR N N 23 112.402 112.402 113.545 -1.143 25434 4924 1 13 . 1 1 23 23 THR HA H 23 4.045 4.045 4.043 0.002 25434 4925 1 13 . 1 1 23 23 THR CA C 23 65.526 65.526 64.397 1.129 25434 4926 1 13 . 1 1 23 23 THR CB C 23 68.434 68.434 68.867 -0.433 25434 4927 1 13 . 1 1 23 23 THR H H 23 8.031 8.031 7.838 0.193 25434 4928 1 13 . 1 1 24 24 SER N N 24 113.712 113.712 114.033 -0.321 25434 4929 1 13 . 1 1 24 24 SER HA H 24 4.327 4.327 4.505 -0.178 25434 4930 1 13 . 1 1 24 24 SER CA C 24 59.046 59.046 58.596 0.450 25434 4931 1 13 . 1 1 24 24 SER CB C 24 65.024 65.024 64.784 0.240 25434 4932 1 13 . 1 1 24 24 SER H H 24 7.503 7.503 7.660 -0.157 25434 4933 1 13 . 1 1 25 25 GLY N N 25 111.227 111.227 110.645 0.582 25434 4934 1 13 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.457 0.170 25434 4935 1 13 . 1 1 25 25 GLY H H 25 8.304 8.304 8.161 0.143 25434 4936 1 13 . 1 1 26 26 TYR N N 26 117.907 117.907 118.129 -0.222 25434 4937 1 13 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.807 0.580 25434 4938 1 13 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.384 -2.378 25434 4939 1 13 . 1 1 26 26 TYR CB C 26 40.743 40.743 42.475 -1.732 25434 4940 1 13 . 1 1 26 26 TYR H H 26 7.951 7.951 7.192 0.759 25434 4941 1 13 . 1 1 27 27 TYR N N 27 116.474 116.474 117.244 -0.770 25434 4942 1 13 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.075 0.283 25434 4943 1 13 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.358 0.884 25434 4944 1 13 . 1 1 27 27 TYR CB C 27 41.412 41.412 41.382 0.030 25434 4945 1 13 . 1 1 27 27 TYR H H 27 9.253 9.253 9.208 0.045 25434 4946 1 13 . 1 1 28 28 TYR N N 28 122.756 122.756 122.410 0.346 25434 4947 1 13 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.397 0.381 25434 4948 1 13 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.353 1.630 25434 4949 1 13 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.991 0.004 25434 4950 1 13 . 1 1 28 28 TYR H H 28 9.686 9.686 9.275 0.411 25434 4951 1 13 . 1 1 29 29 ASP N N 29 125.994 125.994 125.896 0.098 25434 4952 1 13 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.539 0.213 25434 4953 1 13 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.558 -0.356 25434 4954 1 13 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.577 0.588 25434 4955 1 13 . 1 1 29 29 ASP H H 29 7.954 7.954 8.070 -0.116 25434 4956 1 13 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.972 0.098 25434 4957 1 13 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.121 -0.513 25434 4958 1 13 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.907 0.685 25434 4959 1 13 . 1 1 31 31 GLN N N 31 115.244 115.244 117.340 -2.096 25434 4960 1 13 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.163 0.069 25434 4961 1 13 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.763 0.754 25434 4962 1 13 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.245 0.060 25434 4963 1 13 . 1 1 31 31 GLN H H 31 7.989 7.989 7.913 0.076 25434 4964 1 13 . 1 1 32 32 THR N N 32 104.641 104.641 107.946 -3.305 25434 4965 1 13 . 1 1 32 32 THR HA H 32 4.332 4.332 4.546 -0.214 25434 4966 1 13 . 1 1 32 32 THR CA C 32 61.768 61.768 62.257 -0.489 25434 4967 1 13 . 1 1 32 32 THR CB C 32 71.212 71.212 71.955 -0.743 25434 4968 1 13 . 1 1 32 32 THR H H 32 6.765 6.765 7.628 -0.863 25434 4969 1 13 . 1 1 33 33 GLY N N 33 111.318 111.318 112.309 -0.991 25434 4970 1 13 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.386 0.141 25434 4971 1 13 . 1 1 33 33 GLY H H 33 8.439 8.439 8.274 0.165 25434 4972 1 13 . 1 1 34 34 LEU N N 34 118.537 118.537 117.479 1.058 25434 4973 1 13 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.964 -0.363 25434 4974 1 13 . 1 1 34 34 LEU CA C 34 54.021 54.021 53.238 0.783 25434 4975 1 13 . 1 1 34 34 LEU CB C 34 44.529 44.529 45.154 -0.625 25434 4976 1 13 . 1 1 34 34 LEU H H 34 7.422 7.422 6.964 0.458 25434 4977 1 13 . 1 1 35 35 TYR N N 35 116.166 116.166 116.406 -0.240 25434 4978 1 13 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.236 0.286 25434 4979 1 13 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.098 0.148 25434 4980 1 13 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.629 -1.753 25434 4981 1 13 . 1 1 35 35 TYR H H 35 8.692 8.692 8.956 -0.264 25434 4982 1 13 . 1 1 36 36 TYR N N 36 121.442 121.442 119.478 1.964 25434 4983 1 13 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.619 0.337 25434 4984 1 13 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.010 -0.033 25434 4985 1 13 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.746 -0.032 25434 4986 1 13 . 1 1 36 36 TYR H H 36 9.745 9.745 9.442 0.303 25434 4987 1 13 . 1 1 37 37 ASP N N 37 127.129 127.129 121.934 5.195 25434 4988 1 13 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.175 0.066 25434 4989 1 13 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.619 -0.337 25434 4990 1 13 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.434 -1.575 25434 4991 1 13 . 1 1 37 37 ASP H H 37 8.029 8.029 7.407 0.622 25434 4992 1 13 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.404 -0.325 25434 4993 1 13 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.341 -0.612 25434 4994 1 13 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.592 -0.104 25434 4995 1 13 . 1 1 39 39 ASN N N 39 115.838 115.838 116.459 -0.621 25434 4996 1 13 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.593 0.085 25434 4997 1 13 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.794 0.925 25434 4998 1 13 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.690 -0.703 25434 4999 1 13 . 1 1 39 39 ASN H H 39 8.232 8.232 8.533 -0.301 25434 5000 1 13 . 1 1 40 40 SER N N 40 112.476 112.476 115.071 -2.595 25434 5001 1 13 . 1 1 40 40 SER HA H 40 4.346 4.346 4.726 -0.380 25434 5002 1 13 . 1 1 40 40 SER CA C 40 58.832 58.832 57.487 1.345 25434 5003 1 13 . 1 1 40 40 SER CB C 40 64.576 64.576 63.548 1.028 25434 5004 1 13 . 1 1 40 40 SER H H 40 7.371 7.371 8.135 -0.764 25434 5005 1 13 . 1 1 41 41 GLN N N 41 114.329 114.329 121.281 -6.952 25434 5006 1 13 . 1 1 41 41 GLN HA H 41 3.780 3.780 4.033 -0.253 25434 5007 1 13 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.480 1.682 25434 5008 1 13 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.777 -2.800 25434 5009 1 13 . 1 1 41 41 GLN H H 41 8.203 8.203 8.599 -0.396 25434 5010 1 13 . 1 1 42 42 TYR N N 42 115.202 115.202 118.105 -2.903 25434 5011 1 13 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.796 0.725 25434 5012 1 13 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.405 -0.769 25434 5013 1 13 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.623 2.759 25434 5014 1 13 . 1 1 42 42 TYR H H 42 7.621 7.621 7.498 0.123 25434 5015 1 13 . 1 1 43 43 TYR N N 43 118.608 118.608 124.976 -6.368 25434 5016 1 13 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.597 1.098 25434 5017 1 13 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.311 -1.990 25434 5018 1 13 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.092 2.766 25434 5019 1 13 . 1 1 43 43 TYR H H 43 9.724 9.724 8.971 0.753 25434 5020 1 13 . 1 1 44 44 TYR N N 44 121.727 121.727 125.095 -3.368 25434 5021 1 13 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.864 0.318 25434 5022 1 13 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.374 0.174 25434 5023 1 13 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.545 2.718 25434 5024 1 13 . 1 1 44 44 TYR H H 44 9.594 9.594 9.062 0.532 25434 5025 1 13 . 1 1 45 45 ASN N N 45 125.423 125.423 127.562 -2.139 25434 5026 1 13 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.692 0.313 25434 5027 1 13 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.898 0.022 25434 5028 1 13 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.105 1.166 25434 5029 1 13 . 1 1 45 45 ASN H H 45 8.244 8.244 8.788 -0.544 25434 5030 1 13 . 1 1 46 46 ALA N N 46 126.039 126.039 127.487 -1.448 25434 5031 1 13 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.444 0.333 25434 5032 1 13 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.849 -1.076 25434 5033 1 13 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.441 0.714 25434 5034 1 13 . 1 1 46 46 ALA H H 46 8.974 8.974 8.016 0.958 25434 5035 1 13 . 1 1 47 47 GLN N N 47 116.850 116.850 118.919 -2.069 25434 5036 1 13 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.041 0.253 25434 5037 1 13 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.226 0.402 25434 5038 1 13 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.985 -0.462 25434 5039 1 13 . 1 1 47 47 GLN H H 47 8.349 8.349 8.633 -0.284 25434 5040 1 13 . 1 1 48 48 SER N N 48 111.872 111.872 110.884 0.988 25434 5041 1 13 . 1 1 48 48 SER HA H 48 4.474 4.474 4.615 -0.141 25434 5042 1 13 . 1 1 48 48 SER CA C 48 57.580 57.580 57.720 -0.140 25434 5043 1 13 . 1 1 48 48 SER CB C 48 64.262 64.262 64.462 -0.200 25434 5044 1 13 . 1 1 48 48 SER H H 48 7.544 7.544 7.605 -0.061 25434 5045 1 13 . 1 1 49 49 GLN N N 49 118.063 118.063 117.332 0.731 25434 5046 1 13 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.528 0.193 25434 5047 1 13 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.028 0.147 25434 5048 1 13 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.797 -0.864 25434 5049 1 13 . 1 1 49 49 GLN H H 49 7.969 7.969 7.741 0.228 25434 5050 1 13 . 1 1 50 50 GLN N N 50 116.254 116.254 116.911 -0.657 25434 5051 1 13 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.620 0.199 25434 5052 1 13 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.491 0.010 25434 5053 1 13 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.500 1.910 25434 5054 1 13 . 1 1 50 50 GLN H H 50 7.180 7.180 7.481 -0.301 25434 5055 1 13 . 1 1 51 51 TYR N N 51 121.463 121.463 119.563 1.900 25434 5056 1 13 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.812 -0.132 25434 5057 1 13 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.673 1.497 25434 5058 1 13 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.836 -0.770 25434 5059 1 13 . 1 1 51 51 TYR H H 51 8.931 8.931 8.651 0.280 25434 5060 1 13 . 1 1 52 52 LEU N N 52 122.429 122.429 120.649 1.780 25434 5061 1 13 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.350 0.198 25434 5062 1 13 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.555 0.878 25434 5063 1 13 . 1 1 52 52 LEU CB C 52 48.049 48.049 47.056 0.993 25434 5064 1 13 . 1 1 52 52 LEU H H 52 9.726 9.726 9.136 0.590 25434 5065 1 13 . 1 1 53 53 TYR N N 53 117.639 117.639 114.805 2.834 25434 5066 1 13 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.372 0.505 25434 5067 1 13 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.698 0.019 25434 5068 1 13 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.728 0.399 25434 5069 1 13 . 1 1 53 53 TYR H H 53 9.533 9.533 9.075 0.458 25434 5070 1 13 . 1 1 54 54 TRP N N 54 122.206 122.206 125.000 -2.794 25434 5071 1 13 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.250 0.256 25434 5072 1 13 . 1 1 54 54 TRP CA C 54 56.813 56.813 57.113 -0.300 25434 5073 1 13 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.095 0.253 25434 5074 1 13 . 1 1 54 54 TRP H H 54 9.253 9.253 9.095 0.158 25434 5075 1 13 . 1 1 55 55 ASP N N 55 128.978 128.978 128.338 0.640 25434 5076 1 13 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.717 -0.022 25434 5077 1 13 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.507 -0.624 25434 5078 1 13 . 1 1 55 55 ASP CB C 55 42.843 42.843 40.377 2.466 25434 5079 1 13 . 1 1 55 55 ASP H H 55 8.031 8.031 7.420 0.611 25434 5080 1 13 . 1 1 56 56 GLY N N 56 111.521 111.521 109.576 1.945 25434 5081 1 13 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.196 0.580 25434 5082 1 13 . 1 1 56 56 GLY H H 56 8.548 8.548 8.197 0.351 25434 5083 1 13 . 1 1 57 57 GLU N N 57 120.202 120.202 119.025 1.177 25434 5084 1 13 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.082 0.211 25434 5085 1 13 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.165 0.153 25434 5086 1 13 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.525 0.358 25434 5087 1 13 . 1 1 57 57 GLU H H 57 8.188 8.188 7.485 0.703 25434 5088 1 13 . 1 1 58 58 ARG N N 58 116.912 116.912 115.690 1.222 25434 5089 1 13 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.448 -0.317 25434 5090 1 13 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.272 1.171 25434 5091 1 13 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.799 0.088 25434 5092 1 13 . 1 1 58 58 ARG H H 58 7.636 7.636 7.712 -0.076 25434 5093 1 13 . 1 1 59 59 ARG N N 59 116.563 116.563 117.870 -1.307 25434 5094 1 13 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.351 -0.114 25434 5095 1 13 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.710 0.022 25434 5096 1 13 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.828 -1.194 25434 5097 1 13 . 1 1 59 59 ARG H H 59 7.878 7.878 7.678 0.200 25434 5098 1 13 . 1 1 60 60 THR N N 60 109.170 109.170 110.918 -1.748 25434 5099 1 13 . 1 1 60 60 THR HA H 60 4.516 4.516 4.253 0.263 25434 5100 1 13 . 1 1 60 60 THR CA C 60 60.050 60.050 59.813 0.237 25434 5101 1 13 . 1 1 60 60 THR CB C 60 69.758 69.758 71.194 -1.436 25434 5102 1 13 . 1 1 60 60 THR H H 60 6.591 6.591 6.714 -0.123 25434 5103 1 13 . 1 1 61 61 TYR N N 61 120.491 120.491 120.432 0.059 25434 5104 1 13 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.085 -0.010 25434 5105 1 13 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.218 1.175 25434 5106 1 13 . 1 1 61 61 TYR CB C 61 40.381 40.381 40.180 0.201 25434 5107 1 13 . 1 1 61 61 TYR H H 61 7.474 7.474 8.075 -0.601 25434 5108 1 13 . 1 1 62 62 VAL N N 62 123.115 123.115 118.936 4.179 25434 5109 1 13 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.700 -0.056 25434 5110 1 13 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.962 0.648 25434 5111 1 13 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.408 0.010 25434 5112 1 13 . 1 1 62 62 VAL H H 62 9.176 9.176 8.587 0.589 25434 5113 1 13 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.595 0.169 25434 5114 1 13 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.501 1.140 25434 5115 1 13 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.683 0.875 25434 5116 1 13 . 1 1 64 64 ALA N N 64 126.032 126.032 128.621 -2.589 25434 5117 1 13 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.638 0.007 25434 5118 1 13 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.243 -0.117 25434 5119 1 13 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.017 0.735 25434 5120 1 13 . 1 1 64 64 ALA H H 64 8.708 8.708 8.210 0.498 25434 5121 1 13 . 1 1 65 65 LEU N N 65 120.884 120.884 117.255 3.629 25434 5122 1 13 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.056 0.435 25434 5123 1 13 . 1 1 65 65 LEU CA C 65 55.656 55.656 56.486 -0.831 25434 5124 1 13 . 1 1 65 65 LEU CB C 65 42.638 42.638 40.986 1.652 25434 5125 1 13 . 1 1 65 65 LEU H H 65 8.469 8.469 7.985 0.484 25434 5126 1 13 . 1 1 66 66 GLU N N 66 115.912 115.912 116.727 -0.815 25434 5127 1 13 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.186 0.360 25434 5128 1 13 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.536 -0.756 25434 5129 1 13 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.231 2.796 25434 5130 1 13 . 1 1 66 66 GLU H H 66 8.328 8.328 7.984 0.344 25434 5131 1 13 . 1 1 67 67 GLN N N 67 120.380 120.380 119.400 0.980 25434 5132 1 13 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.095 0.387 25434 5133 1 13 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.897 -1.126 25434 5134 1 13 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.448 2.292 25434 5135 1 13 . 1 1 67 67 GLN H H 67 8.478 8.478 8.519 -0.041 25434 5136 1 13 . 1 1 68 68 SER N N 68 116.287 116.287 117.317 -1.030 25434 5137 1 13 . 1 1 68 68 SER HA H 68 4.575 4.575 4.479 0.096 25434 5138 1 13 . 1 1 68 68 SER CA C 68 58.309 58.309 57.751 0.558 25434 5139 1 13 . 1 1 68 68 SER CB C 68 64.119 64.119 63.105 1.014 25434 5140 1 13 . 1 1 68 68 SER H H 68 8.370 8.370 8.091 0.279 25434 5141 1 13 . 1 1 69 69 ALA N N 69 125.968 125.968 124.201 1.767 25434 5142 1 13 . 1 1 69 69 ALA HA H 69 4.443 4.443 3.916 0.527 25434 5143 1 13 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.866 0.116 25434 5144 1 13 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.007 1.358 25434 5145 1 13 . 1 1 69 69 ALA H H 69 8.533 8.533 7.979 0.554 25434 5146 1 13 . 1 1 70 70 ASP N N 70 118.262 118.262 122.068 -3.806 25434 5147 1 13 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.636 0.046 25434 5148 1 13 . 1 1 70 70 ASP CA C 70 54.469 54.469 52.571 1.898 25434 5149 1 13 . 1 1 70 70 ASP CB C 70 41.379 41.379 40.230 1.149 25434 5150 1 13 . 1 1 70 70 ASP H H 70 8.300 8.300 8.330 -0.030 25434 5151 1 13 . 1 1 71 71 GLY N N 71 108.495 108.495 113.261 -4.766 25434 5152 1 13 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.991 -0.169 25434 5153 1 13 . 1 1 71 71 GLY H H 71 8.291 8.291 7.994 0.297 25434 5154 1 13 . 1 1 72 72 HIS N N 72 118.240 118.240 112.786 5.454 25434 5155 1 13 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.012 0.755 25434 5156 1 13 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.666 -1.820 25434 5157 1 13 . 1 1 72 72 HIS CB C 72 29.363 29.363 27.850 1.513 25434 5158 1 13 . 1 1 72 72 HIS H H 72 8.354 8.354 8.096 0.258 25434 5159 1 13 . 1 1 73 73 LYS N N 73 121.591 121.591 121.164 0.427 25434 5160 1 13 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.465 -0.022 25434 5161 1 13 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.324 1.277 25434 5162 1 13 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.240 -0.107 25434 5163 1 13 . 1 1 73 73 LYS H H 73 8.457 8.457 7.965 0.492 25434 5164 1 13 . 1 1 74 74 GLU N N 74 122.169 122.169 128.229 -6.060 25434 5165 1 13 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.224 0.270 25434 5166 1 13 . 1 1 74 74 GLU CA C 74 56.565 56.565 56.833 -0.268 25434 5167 1 13 . 1 1 74 74 GLU CB C 74 30.327 30.327 28.753 1.574 25434 5168 1 13 . 1 1 74 74 GLU H H 74 8.669 8.669 8.968 -0.299 25434 5169 1 13 . 1 1 75 75 THR N N 75 114.560 114.560 119.580 -5.020 25434 5170 1 13 . 1 1 75 75 THR HA H 75 4.463 4.463 3.917 0.546 25434 5171 1 13 . 1 1 75 75 THR CA C 75 61.998 61.998 64.669 -2.671 25434 5172 1 13 . 1 1 75 75 THR CB C 75 69.901 69.901 67.881 2.020 25434 5173 1 13 . 1 1 75 75 THR H H 75 8.313 8.313 8.621 -0.308 25434 5174 1 13 . 1 1 76 76 GLY N N 76 110.986 110.986 111.542 -0.556 25434 5175 1 13 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.080 0.314 25434 5176 1 13 . 1 1 76 76 GLY H H 76 8.493 8.493 8.069 0.424 25434 5177 1 13 . 1 1 77 77 ALA N N 77 123.316 123.316 122.313 1.003 25434 5178 1 13 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.599 0.035 25434 5179 1 13 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.468 0.143 25434 5180 1 13 . 1 1 77 77 ALA CB C 77 18.471 18.471 20.183 -1.712 25434 5181 1 13 . 1 1 77 77 ALA H H 77 8.025 8.025 7.729 0.296 25434 5182 1 13 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.495 0.233 25434 5183 1 13 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.014 -0.045 25434 5184 1 13 . 1 1 79 79 SER N N 79 116.876 116.876 120.211 -3.335 25434 5185 1 13 . 1 1 79 79 SER HA H 79 4.543 4.543 4.610 -0.067 25434 5186 1 13 . 1 1 79 79 SER CA C 79 58.548 58.548 57.475 1.073 25434 5187 1 13 . 1 1 79 79 SER CB C 79 63.972 63.972 62.781 1.192 25434 5188 1 13 . 1 1 79 79 SER H H 79 8.627 8.627 8.227 0.400 25434 5189 1 13 . 1 1 80 80 LYS N N 80 122.282 122.282 125.018 -2.736 25434 5190 1 13 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.422 -0.025 25434 5191 1 13 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.270 0.358 25434 5192 1 13 . 1 1 80 80 LYS CB C 80 33.268 33.268 32.994 0.274 25434 5193 1 13 . 1 1 80 80 LYS H H 80 8.359 8.359 8.231 0.128 25434 5194 1 13 . 1 1 81 81 GLU N N 81 121.390 121.390 117.582 3.808 25434 5195 1 13 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.207 0.180 25434 5196 1 13 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.044 -0.271 25434 5197 1 13 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.766 1.608 25434 5198 1 13 . 1 1 81 81 GLU H H 81 8.521 8.521 8.137 0.384 25434 5199 1 13 . 1 1 82 82 GLY N N 82 109.657 109.657 111.593 -1.936 25434 5200 1 13 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.788 -0.055 25434 5201 1 13 . 1 1 82 82 GLY H H 82 8.491 8.491 9.606 -1.115 25434 5202 1 13 . 1 1 83 83 LYS N N 83 120.424 120.424 120.370 0.054 25434 5203 1 13 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.678 -0.283 25434 5204 1 13 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.989 0.912 25434 5205 1 13 . 1 1 83 83 LYS CB C 83 33.222 33.222 33.642 -0.420 25434 5206 1 13 . 1 1 83 83 LYS H H 83 8.237 8.237 8.310 -0.073 25434 5207 1 13 . 1 1 84 84 GLU N N 84 120.758 120.758 118.730 2.028 25434 5208 1 13 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.245 0.133 25434 5209 1 13 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.861 -2.126 25434 5210 1 13 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.716 0.886 25434 5211 1 13 . 1 1 84 84 GLU H H 84 8.571 8.571 8.554 0.017 25434 5212 1 13 . 1 1 85 85 LYS N N 85 122.155 122.155 114.013 8.142 25434 5213 1 13 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.329 0.082 25434 5214 1 13 . 1 1 85 85 LYS CA C 85 56.321 56.321 56.557 -0.236 25434 5215 1 13 . 1 1 85 85 LYS CB C 85 33.193 33.193 33.209 -0.015 25434 5216 1 13 . 1 1 85 85 LYS H H 85 8.558 8.558 7.949 0.609 25434 5217 1 13 . 1 1 86 86 LYS N N 86 122.185 122.185 121.682 0.503 25434 5218 1 13 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.290 0.082 25434 5219 1 13 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.969 -0.300 25434 5220 1 13 . 1 1 86 86 LYS CB C 86 33.268 33.268 32.827 0.441 25434 5221 1 13 . 1 1 86 86 LYS H H 86 8.397 8.397 7.855 0.542 25434 5222 1 13 . 1 1 87 87 GLU N N 87 124.443 124.443 116.014 8.429 25434 5223 1 13 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.187 0.337 25434 5224 1 13 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.615 0.642 25434 5225 1 13 . 1 1 87 87 GLU CB C 87 33.559 33.559 27.560 5.999 25434 5226 1 13 . 1 1 87 87 GLU H H 87 8.175 8.175 8.975 -0.800 25434 5227 1 13 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.650 0.137 25434 5228 1 13 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.909 -1.155 25434 5229 1 13 . 1 1 89 89 HIS CB C 89 30.327 30.327 31.075 -0.748 25434 5230 1 13 . 1 1 90 90 LYS N N 90 122.178 122.178 119.406 2.772 25434 5231 1 13 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.435 -0.038 25434 5232 1 13 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.742 -0.145 25434 5233 1 13 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.629 -0.407 25434 5234 1 13 . 1 1 90 90 LYS H H 90 8.335 8.335 8.605 -0.270 25434 5235 1 13 . 1 1 91 91 THR N N 91 121.268 121.268 112.393 8.875 25434 5236 1 13 . 1 1 91 91 THR HA H 91 4.453 4.453 4.462 -0.009 25434 5237 1 13 . 1 1 91 91 THR CA C 91 61.956 61.956 62.268 -0.312 25434 5238 1 13 . 1 1 91 91 THR CB C 91 69.916 69.916 68.768 1.148 25434 5239 1 13 . 1 1 91 91 THR H H 91 8.047 8.047 7.878 0.169 25434 5240 1 14 . 1 1 5 5 GLU N N 5 123.289 123.289 120.637 2.652 25434 5241 1 14 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.610 -0.076 25434 5242 1 14 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.020 7.220 25434 5243 1 14 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.897 1.328 25434 5244 1 14 . 1 1 5 5 GLU H H 5 8.538 8.538 9.042 -0.504 25434 5245 1 14 . 1 1 6 6 SER N N 6 115.506 115.506 113.943 1.563 25434 5246 1 14 . 1 1 6 6 SER HA H 6 4.552 4.552 4.479 0.073 25434 5247 1 14 . 1 1 6 6 SER CA C 6 58.231 58.231 57.275 0.956 25434 5248 1 14 . 1 1 6 6 SER CB C 6 64.028 64.028 63.663 0.364 25434 5249 1 14 . 1 1 6 6 SER H H 6 8.435 8.435 8.019 0.416 25434 5250 1 14 . 1 1 7 7 TYR N N 7 121.104 121.104 119.789 1.315 25434 5251 1 14 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.516 0.226 25434 5252 1 14 . 1 1 7 7 TYR CA C 7 57.611 57.611 57.486 0.125 25434 5253 1 14 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.043 1.133 25434 5254 1 14 . 1 1 7 7 TYR H H 7 8.137 8.137 7.974 0.163 25434 5255 1 14 . 1 1 8 8 SER N N 8 116.875 116.875 115.761 1.114 25434 5256 1 14 . 1 1 8 8 SER HA H 8 4.539 4.539 4.250 0.289 25434 5257 1 14 . 1 1 8 8 SER CA C 8 58.327 58.327 57.794 0.534 25434 5258 1 14 . 1 1 8 8 SER CB C 8 63.958 63.958 63.791 0.167 25434 5259 1 14 . 1 1 8 8 SER H H 8 8.364 8.364 7.353 1.011 25434 5260 1 14 . 1 1 9 9 GLN N N 9 120.999 120.999 120.953 0.046 25434 5261 1 14 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.195 0.248 25434 5262 1 14 . 1 1 9 9 GLN CA C 9 56.678 56.678 56.778 -0.100 25434 5263 1 14 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.312 1.060 25434 5264 1 14 . 1 1 9 9 GLN H H 9 8.414 8.414 8.211 0.203 25434 5265 1 14 . 1 1 10 10 TYR N N 10 121.815 121.815 120.965 0.850 25434 5266 1 14 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.557 0.417 25434 5267 1 14 . 1 1 10 10 TYR CA C 10 56.383 56.383 58.507 -2.124 25434 5268 1 14 . 1 1 10 10 TYR CB C 10 40.009 40.009 38.527 1.482 25434 5269 1 14 . 1 1 10 10 TYR H H 10 8.549 8.549 8.550 -0.001 25434 5270 1 14 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.521 0.095 25434 5271 1 14 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.247 -0.248 25434 5272 1 14 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.620 -0.417 25434 5273 1 14 . 1 1 12 12 VAL N N 12 120.450 120.450 119.123 1.327 25434 5274 1 14 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.288 -0.488 25434 5275 1 14 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.871 0.586 25434 5276 1 14 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.233 1.018 25434 5277 1 14 . 1 1 12 12 VAL H H 12 8.074 8.074 8.387 -0.313 25434 5278 1 14 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.936 -0.918 25434 5279 1 14 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.289 0.891 25434 5280 1 14 . 1 1 13 13 PRO CB C 13 32.632 32.632 33.068 -0.436 25434 5281 1 14 . 1 1 14 14 ASP N N 14 120.579 120.579 117.513 3.066 25434 5282 1 14 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.610 0.101 25434 5283 1 14 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.418 -0.344 25434 5284 1 14 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.855 -2.805 25434 5285 1 14 . 1 1 14 14 ASP H H 14 8.148 8.148 8.081 0.067 25434 5286 1 14 . 1 1 15 15 VAL N N 15 120.884 120.884 123.916 -3.032 25434 5287 1 14 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.921 0.249 25434 5288 1 14 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.590 -0.821 25434 5289 1 14 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.198 -0.301 25434 5290 1 14 . 1 1 15 15 VAL H H 15 8.161 8.161 8.130 0.031 25434 5291 1 14 . 1 1 16 16 SER N N 16 116.885 116.885 115.487 1.398 25434 5292 1 14 . 1 1 16 16 SER HA H 16 4.294 4.294 4.118 0.176 25434 5293 1 14 . 1 1 16 16 SER CA C 16 61.011 61.011 60.267 0.744 25434 5294 1 14 . 1 1 16 16 SER CB C 16 63.004 63.004 63.068 -0.064 25434 5295 1 14 . 1 1 16 16 SER H H 16 8.139 8.139 7.706 0.433 25434 5296 1 14 . 1 1 17 17 THR N N 17 110.397 110.397 113.510 -3.113 25434 5297 1 14 . 1 1 17 17 THR HA H 17 4.558 4.558 4.431 0.127 25434 5298 1 14 . 1 1 17 17 THR CA C 17 61.987 61.987 61.867 0.120 25434 5299 1 14 . 1 1 17 17 THR CB C 17 70.459 70.459 69.328 1.131 25434 5300 1 14 . 1 1 17 17 THR H H 17 7.549 7.549 7.176 0.373 25434 5301 1 14 . 1 1 18 18 TYR N N 18 120.956 120.956 120.596 0.360 25434 5302 1 14 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.702 0.466 25434 5303 1 14 . 1 1 18 18 TYR CA C 18 54.823 54.823 55.983 -1.159 25434 5304 1 14 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.726 -1.986 25434 5305 1 14 . 1 1 18 18 TYR H H 18 7.365 7.365 7.640 -0.275 25434 5306 1 14 . 1 1 19 19 GLN N N 19 119.670 119.670 119.368 0.302 25434 5307 1 14 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.757 0.295 25434 5308 1 14 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.523 -0.137 25434 5309 1 14 . 1 1 19 19 GLN CB C 19 31.447 31.447 31.161 0.286 25434 5310 1 14 . 1 1 19 19 GLN H H 19 9.372 9.372 8.714 0.658 25434 5311 1 14 . 1 1 20 20 TYR N N 20 126.395 126.395 127.036 -0.641 25434 5312 1 14 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.287 -0.185 25434 5313 1 14 . 1 1 20 20 TYR CA C 20 59.374 59.374 58.891 0.483 25434 5314 1 14 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.090 -0.064 25434 5315 1 14 . 1 1 20 20 TYR H H 20 9.433 9.433 8.920 0.513 25434 5316 1 14 . 1 1 21 21 ASP N N 21 128.962 128.962 125.623 3.339 25434 5317 1 14 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.806 0.074 25434 5318 1 14 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.965 -0.632 25434 5319 1 14 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.886 0.446 25434 5320 1 14 . 1 1 21 21 ASP H H 21 8.128 8.128 8.137 -0.009 25434 5321 1 14 . 1 1 22 22 GLU N N 22 124.636 124.636 123.380 1.256 25434 5322 1 14 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.742 0.056 25434 5323 1 14 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.337 0.296 25434 5324 1 14 . 1 1 22 22 GLU CB C 22 29.712 29.712 28.855 0.857 25434 5325 1 14 . 1 1 22 22 GLU H H 22 8.768 8.768 8.612 0.156 25434 5326 1 14 . 1 1 23 23 THR N N 23 112.402 112.402 112.711 -0.309 25434 5327 1 14 . 1 1 23 23 THR HA H 23 4.045 4.045 4.064 -0.019 25434 5328 1 14 . 1 1 23 23 THR CA C 23 65.526 65.526 64.384 1.142 25434 5329 1 14 . 1 1 23 23 THR CB C 23 68.434 68.434 69.072 -0.638 25434 5330 1 14 . 1 1 23 23 THR H H 23 8.031 8.031 8.160 -0.129 25434 5331 1 14 . 1 1 24 24 SER N N 24 113.712 113.712 113.896 -0.184 25434 5332 1 14 . 1 1 24 24 SER HA H 24 4.327 4.327 4.589 -0.262 25434 5333 1 14 . 1 1 24 24 SER CA C 24 59.046 59.046 58.434 0.612 25434 5334 1 14 . 1 1 24 24 SER CB C 24 65.024 65.024 66.252 -1.228 25434 5335 1 14 . 1 1 24 24 SER H H 24 7.503 7.503 7.618 -0.115 25434 5336 1 14 . 1 1 25 25 GLY N N 25 111.227 111.227 110.856 0.371 25434 5337 1 14 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.804 -0.177 25434 5338 1 14 . 1 1 25 25 GLY H H 25 8.304 8.304 8.217 0.087 25434 5339 1 14 . 1 1 26 26 TYR N N 26 117.907 117.907 117.107 0.800 25434 5340 1 14 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.940 0.447 25434 5341 1 14 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.210 -2.204 25434 5342 1 14 . 1 1 26 26 TYR CB C 26 40.743 40.743 42.392 -1.649 25434 5343 1 14 . 1 1 26 26 TYR H H 26 7.951 7.951 7.183 0.768 25434 5344 1 14 . 1 1 27 27 TYR N N 27 116.474 116.474 117.458 -0.984 25434 5345 1 14 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.428 -0.070 25434 5346 1 14 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.288 0.956 25434 5347 1 14 . 1 1 27 27 TYR CB C 27 41.412 41.412 41.265 0.147 25434 5348 1 14 . 1 1 27 27 TYR H H 27 9.253 9.253 9.577 -0.324 25434 5349 1 14 . 1 1 28 28 TYR N N 28 122.756 122.756 122.686 0.070 25434 5350 1 14 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.471 0.307 25434 5351 1 14 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.435 1.548 25434 5352 1 14 . 1 1 28 28 TYR CB C 28 41.995 41.995 42.022 -0.027 25434 5353 1 14 . 1 1 28 28 TYR H H 28 9.686 9.686 9.596 0.090 25434 5354 1 14 . 1 1 29 29 ASP N N 29 125.994 125.994 125.926 0.068 25434 5355 1 14 . 1 1 29 29 ASP HA H 29 4.752 4.752 3.989 0.763 25434 5356 1 14 . 1 1 29 29 ASP CA C 29 49.202 49.202 50.351 -1.149 25434 5357 1 14 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.340 1.825 25434 5358 1 14 . 1 1 29 29 ASP H H 29 7.954 7.954 8.076 -0.122 25434 5359 1 14 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.952 0.118 25434 5360 1 14 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.257 -0.648 25434 5361 1 14 . 1 1 30 30 PRO CB C 30 32.592 32.592 32.045 0.546 25434 5362 1 14 . 1 1 31 31 GLN N N 31 115.244 115.244 117.638 -2.394 25434 5363 1 14 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.142 0.090 25434 5364 1 14 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.910 0.606 25434 5365 1 14 . 1 1 31 31 GLN CB C 31 29.305 29.305 28.956 0.349 25434 5366 1 14 . 1 1 31 31 GLN H H 31 7.989 7.989 8.236 -0.247 25434 5367 1 14 . 1 1 32 32 THR N N 32 104.641 104.641 107.320 -2.679 25434 5368 1 14 . 1 1 32 32 THR HA H 32 4.332 4.332 4.451 -0.119 25434 5369 1 14 . 1 1 32 32 THR CA C 32 61.768 61.768 62.231 -0.463 25434 5370 1 14 . 1 1 32 32 THR CB C 32 71.212 71.212 71.205 0.007 25434 5371 1 14 . 1 1 32 32 THR H H 32 6.765 6.765 7.524 -0.759 25434 5372 1 14 . 1 1 33 33 GLY N N 33 111.318 111.318 111.864 -0.546 25434 5373 1 14 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.527 -0.000 25434 5374 1 14 . 1 1 33 33 GLY H H 33 8.439 8.439 8.200 0.239 25434 5375 1 14 . 1 1 34 34 LEU N N 34 118.537 118.537 116.893 1.644 25434 5376 1 14 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.909 -0.308 25434 5377 1 14 . 1 1 34 34 LEU CA C 34 54.021 54.021 53.023 0.998 25434 5378 1 14 . 1 1 34 34 LEU CB C 34 44.529 44.529 45.350 -0.821 25434 5379 1 14 . 1 1 34 34 LEU H H 34 7.422 7.422 6.953 0.469 25434 5380 1 14 . 1 1 35 35 TYR N N 35 116.166 116.166 115.168 0.998 25434 5381 1 14 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.225 0.297 25434 5382 1 14 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.284 -0.038 25434 5383 1 14 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.578 -1.702 25434 5384 1 14 . 1 1 35 35 TYR H H 35 8.692 8.692 8.608 0.084 25434 5385 1 14 . 1 1 36 36 TYR N N 36 121.442 121.442 121.312 0.130 25434 5386 1 14 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.603 0.353 25434 5387 1 14 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.577 -0.600 25434 5388 1 14 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.554 0.160 25434 5389 1 14 . 1 1 36 36 TYR H H 36 9.745 9.745 9.357 0.388 25434 5390 1 14 . 1 1 37 37 ASP N N 37 127.129 127.129 121.660 5.469 25434 5391 1 14 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.820 0.421 25434 5392 1 14 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.498 -0.216 25434 5393 1 14 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.011 -1.152 25434 5394 1 14 . 1 1 37 37 ASP H H 37 8.029 8.029 7.538 0.491 25434 5395 1 14 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.489 -0.410 25434 5396 1 14 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.007 -0.278 25434 5397 1 14 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.843 -0.355 25434 5398 1 14 . 1 1 39 39 ASN N N 39 115.838 115.838 117.184 -1.346 25434 5399 1 14 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.635 0.043 25434 5400 1 14 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.328 1.391 25434 5401 1 14 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.870 -0.883 25434 5402 1 14 . 1 1 39 39 ASN H H 39 8.232 8.232 8.546 -0.314 25434 5403 1 14 . 1 1 40 40 SER N N 40 112.476 112.476 114.811 -2.335 25434 5404 1 14 . 1 1 40 40 SER HA H 40 4.346 4.346 4.487 -0.141 25434 5405 1 14 . 1 1 40 40 SER CA C 40 58.832 58.832 56.973 1.859 25434 5406 1 14 . 1 1 40 40 SER CB C 40 64.576 64.576 64.292 0.284 25434 5407 1 14 . 1 1 40 40 SER H H 40 7.371 7.371 7.646 -0.275 25434 5408 1 14 . 1 1 41 41 GLN N N 41 114.329 114.329 121.864 -7.535 25434 5409 1 14 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.713 0.067 25434 5410 1 14 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.932 1.230 25434 5411 1 14 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.642 -2.665 25434 5412 1 14 . 1 1 41 41 GLN H H 41 8.203 8.203 8.481 -0.278 25434 5413 1 14 . 1 1 42 42 TYR N N 42 115.202 115.202 118.247 -3.045 25434 5414 1 14 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.772 0.749 25434 5415 1 14 . 1 1 42 42 TYR CA C 42 56.636 56.636 56.720 -0.084 25434 5416 1 14 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.823 3.558 25434 5417 1 14 . 1 1 42 42 TYR H H 42 7.621 7.621 7.530 0.091 25434 5418 1 14 . 1 1 43 43 TYR N N 43 118.608 118.608 125.048 -6.440 25434 5419 1 14 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.589 1.106 25434 5420 1 14 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.895 -2.574 25434 5421 1 14 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.706 2.152 25434 5422 1 14 . 1 1 43 43 TYR H H 43 9.724 9.724 9.118 0.606 25434 5423 1 14 . 1 1 44 44 TYR N N 44 121.727 121.727 123.154 -1.427 25434 5424 1 14 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.883 0.299 25434 5425 1 14 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.192 0.356 25434 5426 1 14 . 1 1 44 44 TYR CB C 44 42.263 42.263 40.034 2.229 25434 5427 1 14 . 1 1 44 44 TYR H H 44 9.594 9.594 9.543 0.051 25434 5428 1 14 . 1 1 45 45 ASN N N 45 125.423 125.423 127.176 -1.753 25434 5429 1 14 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.638 0.367 25434 5430 1 14 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.826 0.094 25434 5431 1 14 . 1 1 45 45 ASN CB C 45 39.271 39.271 37.942 1.329 25434 5432 1 14 . 1 1 45 45 ASN H H 45 8.244 8.244 8.677 -0.433 25434 5433 1 14 . 1 1 46 46 ALA N N 46 126.039 126.039 127.621 -1.582 25434 5434 1 14 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.598 0.179 25434 5435 1 14 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.407 -0.634 25434 5436 1 14 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.605 0.550 25434 5437 1 14 . 1 1 46 46 ALA H H 46 8.974 8.974 7.701 1.273 25434 5438 1 14 . 1 1 47 47 GLN N N 47 116.850 116.850 117.033 -0.183 25434 5439 1 14 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.067 0.227 25434 5440 1 14 . 1 1 47 47 GLN CA C 47 58.628 58.628 57.956 0.672 25434 5441 1 14 . 1 1 47 47 GLN CB C 47 28.523 28.523 29.058 -0.535 25434 5442 1 14 . 1 1 47 47 GLN H H 47 8.349 8.349 8.279 0.070 25434 5443 1 14 . 1 1 48 48 SER N N 48 111.872 111.872 111.955 -0.083 25434 5444 1 14 . 1 1 48 48 SER HA H 48 4.474 4.474 4.584 -0.110 25434 5445 1 14 . 1 1 48 48 SER CA C 48 57.580 57.580 58.527 -0.947 25434 5446 1 14 . 1 1 48 48 SER CB C 48 64.262 64.262 65.165 -0.902 25434 5447 1 14 . 1 1 48 48 SER H H 48 7.544 7.544 7.624 -0.080 25434 5448 1 14 . 1 1 49 49 GLN N N 49 118.063 118.063 115.416 2.647 25434 5449 1 14 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.805 -0.084 25434 5450 1 14 . 1 1 49 49 GLN CA C 49 57.175 57.175 56.975 0.200 25434 5451 1 14 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.058 -0.125 25434 5452 1 14 . 1 1 49 49 GLN H H 49 7.969 7.969 8.004 -0.035 25434 5453 1 14 . 1 1 50 50 GLN N N 50 116.254 116.254 117.684 -1.430 25434 5454 1 14 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.823 -0.004 25434 5455 1 14 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.605 -0.104 25434 5456 1 14 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.769 1.641 25434 5457 1 14 . 1 1 50 50 GLN H H 50 7.180 7.180 7.593 -0.413 25434 5458 1 14 . 1 1 51 51 TYR N N 51 121.463 121.463 118.641 2.822 25434 5459 1 14 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.711 -0.031 25434 5460 1 14 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.755 1.415 25434 5461 1 14 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.341 -0.275 25434 5462 1 14 . 1 1 51 51 TYR H H 51 8.931 8.931 8.844 0.087 25434 5463 1 14 . 1 1 52 52 LEU N N 52 122.429 122.429 122.495 -0.066 25434 5464 1 14 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.442 0.106 25434 5465 1 14 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.459 0.974 25434 5466 1 14 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.660 1.389 25434 5467 1 14 . 1 1 52 52 LEU H H 52 9.726 9.726 9.120 0.606 25434 5468 1 14 . 1 1 53 53 TYR N N 53 117.639 117.639 113.991 3.648 25434 5469 1 14 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.501 0.376 25434 5470 1 14 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.842 -0.125 25434 5471 1 14 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.810 0.317 25434 5472 1 14 . 1 1 53 53 TYR H H 53 9.533 9.533 9.216 0.317 25434 5473 1 14 . 1 1 54 54 TRP N N 54 122.206 122.206 124.337 -2.131 25434 5474 1 14 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.416 0.090 25434 5475 1 14 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.685 0.128 25434 5476 1 14 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.767 -0.419 25434 5477 1 14 . 1 1 54 54 TRP H H 54 9.253 9.253 9.366 -0.113 25434 5478 1 14 . 1 1 55 55 ASP N N 55 128.978 128.978 127.870 1.108 25434 5479 1 14 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.694 0.001 25434 5480 1 14 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.303 -0.420 25434 5481 1 14 . 1 1 55 55 ASP CB C 55 42.843 42.843 41.579 1.264 25434 5482 1 14 . 1 1 55 55 ASP H H 55 8.031 8.031 7.786 0.245 25434 5483 1 14 . 1 1 56 56 GLY N N 56 111.521 111.521 111.655 -0.134 25434 5484 1 14 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.230 0.545 25434 5485 1 14 . 1 1 56 56 GLY H H 56 8.548 8.548 8.440 0.108 25434 5486 1 14 . 1 1 57 57 GLU N N 57 120.202 120.202 119.723 0.479 25434 5487 1 14 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.109 0.184 25434 5488 1 14 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.440 -0.122 25434 5489 1 14 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.539 0.344 25434 5490 1 14 . 1 1 57 57 GLU H H 57 8.188 8.188 8.411 -0.223 25434 5491 1 14 . 1 1 58 58 ARG N N 58 116.912 116.912 115.847 1.065 25434 5492 1 14 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.447 -0.316 25434 5493 1 14 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.178 1.264 25434 5494 1 14 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.325 0.562 25434 5495 1 14 . 1 1 58 58 ARG H H 58 7.636 7.636 7.386 0.250 25434 5496 1 14 . 1 1 59 59 ARG N N 59 116.563 116.563 117.485 -0.922 25434 5497 1 14 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.486 -0.249 25434 5498 1 14 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.712 0.019 25434 5499 1 14 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.213 -0.579 25434 5500 1 14 . 1 1 59 59 ARG H H 59 7.878 7.878 7.681 0.197 25434 5501 1 14 . 1 1 60 60 THR N N 60 109.170 109.170 111.340 -2.170 25434 5502 1 14 . 1 1 60 60 THR HA H 60 4.516 4.516 4.687 -0.171 25434 5503 1 14 . 1 1 60 60 THR CA C 60 60.050 60.050 59.891 0.159 25434 5504 1 14 . 1 1 60 60 THR CB C 60 69.758 69.758 71.696 -1.938 25434 5505 1 14 . 1 1 60 60 THR H H 60 6.591 6.591 7.074 -0.483 25434 5506 1 14 . 1 1 61 61 TYR N N 61 120.491 120.491 121.472 -0.981 25434 5507 1 14 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.277 -0.202 25434 5508 1 14 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.979 0.414 25434 5509 1 14 . 1 1 61 61 TYR CB C 61 40.381 40.381 40.149 0.232 25434 5510 1 14 . 1 1 61 61 TYR H H 61 7.474 7.474 8.073 -0.599 25434 5511 1 14 . 1 1 62 62 VAL N N 62 123.115 123.115 118.692 4.423 25434 5512 1 14 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.637 0.007 25434 5513 1 14 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.542 1.068 25434 5514 1 14 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.593 0.825 25434 5515 1 14 . 1 1 62 62 VAL H H 62 9.176 9.176 8.590 0.586 25434 5516 1 14 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.796 -0.032 25434 5517 1 14 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.437 1.204 25434 5518 1 14 . 1 1 63 63 PRO CB C 63 32.558 32.558 32.084 0.474 25434 5519 1 14 . 1 1 64 64 ALA N N 64 126.032 126.032 125.828 0.204 25434 5520 1 14 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.573 0.072 25434 5521 1 14 . 1 1 64 64 ALA CA C 64 52.126 52.126 51.455 0.671 25434 5522 1 14 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.134 0.618 25434 5523 1 14 . 1 1 64 64 ALA H H 64 8.708 8.708 8.688 0.020 25434 5524 1 14 . 1 1 65 65 LEU N N 65 120.884 120.884 120.545 0.339 25434 5525 1 14 . 1 1 65 65 LEU HA H 65 4.491 4.491 3.935 0.556 25434 5526 1 14 . 1 1 65 65 LEU CA C 65 55.656 55.656 58.114 -2.458 25434 5527 1 14 . 1 1 65 65 LEU CB C 65 42.638 42.638 42.067 0.571 25434 5528 1 14 . 1 1 65 65 LEU H H 65 8.469 8.469 8.168 0.301 25434 5529 1 14 . 1 1 66 66 GLU N N 66 115.912 115.912 116.653 -0.741 25434 5530 1 14 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.279 0.268 25434 5531 1 14 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.173 -0.393 25434 5532 1 14 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.797 2.230 25434 5533 1 14 . 1 1 66 66 GLU H H 66 8.328 8.328 8.436 -0.108 25434 5534 1 14 . 1 1 67 67 GLN N N 67 120.380 120.380 116.144 4.236 25434 5535 1 14 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.182 0.300 25434 5536 1 14 . 1 1 67 67 GLN CA C 67 55.771 55.771 57.394 -1.623 25434 5537 1 14 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.496 2.244 25434 5538 1 14 . 1 1 67 67 GLN H H 67 8.478 8.478 8.454 0.024 25434 5539 1 14 . 1 1 68 68 SER N N 68 116.287 116.287 114.163 2.124 25434 5540 1 14 . 1 1 68 68 SER HA H 68 4.575 4.575 4.478 0.097 25434 5541 1 14 . 1 1 68 68 SER CA C 68 58.309 58.309 58.142 0.168 25434 5542 1 14 . 1 1 68 68 SER CB C 68 64.119 64.119 63.241 0.878 25434 5543 1 14 . 1 1 68 68 SER H H 68 8.370 8.370 7.914 0.456 25434 5544 1 14 . 1 1 69 69 ALA N N 69 125.968 125.968 122.994 2.974 25434 5545 1 14 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.142 0.301 25434 5546 1 14 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.696 0.286 25434 5547 1 14 . 1 1 69 69 ALA CB C 69 19.365 19.365 17.782 1.583 25434 5548 1 14 . 1 1 69 69 ALA H H 69 8.533 8.533 8.073 0.460 25434 5549 1 14 . 1 1 70 70 ASP N N 70 118.262 118.262 119.679 -1.417 25434 5550 1 14 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.510 0.172 25434 5551 1 14 . 1 1 70 70 ASP CA C 70 54.469 54.469 55.011 -0.542 25434 5552 1 14 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.565 -0.186 25434 5553 1 14 . 1 1 70 70 ASP H H 70 8.300 8.300 8.512 -0.212 25434 5554 1 14 . 1 1 71 71 GLY N N 71 108.495 108.495 106.657 1.838 25434 5555 1 14 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.877 0.945 25434 5556 1 14 . 1 1 71 71 GLY H H 71 8.291 8.291 7.835 0.456 25434 5557 1 14 . 1 1 72 72 HIS N N 72 118.240 118.240 119.854 -1.614 25434 5558 1 14 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.793 -0.026 25434 5559 1 14 . 1 1 72 72 HIS CA C 72 55.846 55.846 55.793 0.053 25434 5560 1 14 . 1 1 72 72 HIS CB C 72 29.363 29.363 30.754 -1.391 25434 5561 1 14 . 1 1 72 72 HIS H H 72 8.354 8.354 8.622 -0.268 25434 5562 1 14 . 1 1 73 73 LYS N N 73 121.591 121.591 122.093 -0.502 25434 5563 1 14 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.221 0.222 25434 5564 1 14 . 1 1 73 73 LYS CA C 73 56.601 56.601 56.408 0.193 25434 5565 1 14 . 1 1 73 73 LYS CB C 73 33.133 33.133 31.733 1.400 25434 5566 1 14 . 1 1 73 73 LYS H H 73 8.457 8.457 8.329 0.128 25434 5567 1 14 . 1 1 74 74 GLU N N 74 122.169 122.169 124.250 -2.081 25434 5568 1 14 . 1 1 74 74 GLU HA H 74 4.494 4.494 3.981 0.513 25434 5569 1 14 . 1 1 74 74 GLU CA C 74 56.565 56.565 57.450 -0.885 25434 5570 1 14 . 1 1 74 74 GLU CB C 74 30.327 30.327 28.812 1.515 25434 5571 1 14 . 1 1 74 74 GLU H H 74 8.669 8.669 8.935 -0.266 25434 5572 1 14 . 1 1 75 75 THR N N 75 114.560 114.560 112.914 1.646 25434 5573 1 14 . 1 1 75 75 THR HA H 75 4.463 4.463 3.714 0.749 25434 5574 1 14 . 1 1 75 75 THR CA C 75 61.998 61.998 64.210 -2.212 25434 5575 1 14 . 1 1 75 75 THR CB C 75 69.901 69.901 68.504 1.397 25434 5576 1 14 . 1 1 75 75 THR H H 75 8.313 8.313 8.480 -0.167 25434 5577 1 14 . 1 1 76 76 GLY N N 76 110.986 110.986 108.463 2.523 25434 5578 1 14 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.829 0.565 25434 5579 1 14 . 1 1 76 76 GLY H H 76 8.493 8.493 7.594 0.899 25434 5580 1 14 . 1 1 77 77 ALA N N 77 123.316 123.316 122.726 0.590 25434 5581 1 14 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.680 -0.046 25434 5582 1 14 . 1 1 77 77 ALA CA C 77 50.611 50.611 49.158 1.452 25434 5583 1 14 . 1 1 77 77 ALA CB C 77 18.471 18.471 20.378 -1.907 25434 5584 1 14 . 1 1 77 77 ALA H H 77 8.025 8.025 8.096 -0.071 25434 5585 1 14 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.343 0.385 25434 5586 1 14 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.050 -0.081 25434 5587 1 14 . 1 1 79 79 SER N N 79 116.876 116.876 120.881 -4.005 25434 5588 1 14 . 1 1 79 79 SER HA H 79 4.543 4.543 4.583 -0.040 25434 5589 1 14 . 1 1 79 79 SER CA C 79 58.548 58.548 58.418 0.130 25434 5590 1 14 . 1 1 79 79 SER CB C 79 63.972 63.972 63.658 0.314 25434 5591 1 14 . 1 1 79 79 SER H H 79 8.627 8.627 8.526 0.101 25434 5592 1 14 . 1 1 80 80 LYS N N 80 122.282 122.282 122.508 -0.226 25434 5593 1 14 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.414 -0.017 25434 5594 1 14 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.817 -0.189 25434 5595 1 14 . 1 1 80 80 LYS CB C 80 33.268 33.268 33.338 -0.070 25434 5596 1 14 . 1 1 80 80 LYS H H 80 8.359 8.359 8.360 -0.001 25434 5597 1 14 . 1 1 81 81 GLU N N 81 121.390 121.390 119.921 1.469 25434 5598 1 14 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.274 0.113 25434 5599 1 14 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.525 0.248 25434 5600 1 14 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.735 0.639 25434 5601 1 14 . 1 1 81 81 GLU H H 81 8.521 8.521 8.356 0.165 25434 5602 1 14 . 1 1 82 82 GLY N N 82 109.657 109.657 105.733 3.924 25434 5603 1 14 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.438 0.295 25434 5604 1 14 . 1 1 82 82 GLY H H 82 8.491 8.491 7.960 0.531 25434 5605 1 14 . 1 1 83 83 LYS N N 83 120.424 120.424 120.073 0.351 25434 5606 1 14 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.396 -0.001 25434 5607 1 14 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.413 1.487 25434 5608 1 14 . 1 1 83 83 LYS CB C 83 33.222 33.222 31.927 1.295 25434 5609 1 14 . 1 1 83 83 LYS H H 83 8.237 8.237 8.368 -0.131 25434 5610 1 14 . 1 1 84 84 GLU N N 84 120.758 120.758 117.821 2.937 25434 5611 1 14 . 1 1 84 84 GLU HA H 84 4.378 4.378 3.989 0.389 25434 5612 1 14 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.227 -1.492 25434 5613 1 14 . 1 1 84 84 GLU CB C 84 30.602 30.602 27.904 2.698 25434 5614 1 14 . 1 1 84 84 GLU H H 84 8.571 8.571 8.505 0.066 25434 5615 1 14 . 1 1 85 85 LYS N N 85 122.155 122.155 117.063 5.092 25434 5616 1 14 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.391 0.020 25434 5617 1 14 . 1 1 85 85 LYS CA C 85 56.321 56.321 57.016 -0.695 25434 5618 1 14 . 1 1 85 85 LYS CB C 85 33.193 33.193 34.025 -0.832 25434 5619 1 14 . 1 1 85 85 LYS H H 85 8.558 8.558 8.400 0.158 25434 5620 1 14 . 1 1 86 86 LYS N N 86 122.185 122.185 118.041 4.144 25434 5621 1 14 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.512 -0.140 25434 5622 1 14 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.176 0.493 25434 5623 1 14 . 1 1 86 86 LYS CB C 86 33.268 33.268 33.487 -0.219 25434 5624 1 14 . 1 1 86 86 LYS H H 86 8.397 8.397 8.298 0.099 25434 5625 1 14 . 1 1 87 87 GLU N N 87 124.443 124.443 121.925 2.518 25434 5626 1 14 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.147 0.377 25434 5627 1 14 . 1 1 87 87 GLU CA C 87 58.257 58.257 55.721 2.536 25434 5628 1 14 . 1 1 87 87 GLU CB C 87 33.559 33.559 27.051 6.508 25434 5629 1 14 . 1 1 87 87 GLU H H 87 8.175 8.175 8.441 -0.266 25434 5630 1 14 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.492 0.295 25434 5631 1 14 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.136 -0.382 25434 5632 1 14 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.460 -0.133 25434 5633 1 14 . 1 1 90 90 LYS N N 90 122.178 122.178 124.127 -1.949 25434 5634 1 14 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.355 0.042 25434 5635 1 14 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.560 0.037 25434 5636 1 14 . 1 1 90 90 LYS CB C 90 33.222 33.222 31.456 1.766 25434 5637 1 14 . 1 1 90 90 LYS H H 90 8.335 8.335 8.736 -0.401 25434 5638 1 14 . 1 1 91 91 THR N N 91 121.268 121.268 117.823 3.445 25434 5639 1 14 . 1 1 91 91 THR HA H 91 4.453 4.453 4.519 -0.066 25434 5640 1 14 . 1 1 91 91 THR CA C 91 61.956 61.956 61.377 0.579 25434 5641 1 14 . 1 1 91 91 THR CB C 91 69.916 69.916 70.839 -0.923 25434 5642 1 14 . 1 1 91 91 THR H H 91 8.047 8.047 7.905 0.142 25434 5643 1 15 . 1 1 5 5 GLU N N 5 123.289 123.289 120.008 3.281 25434 5644 1 15 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.452 0.082 25434 5645 1 15 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.609 6.631 25434 5646 1 15 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.636 2.589 25434 5647 1 15 . 1 1 5 5 GLU H H 5 8.538 8.538 8.896 -0.358 25434 5648 1 15 . 1 1 6 6 SER N N 6 115.506 115.506 113.122 2.384 25434 5649 1 15 . 1 1 6 6 SER HA H 6 4.552 4.552 4.509 0.043 25434 5650 1 15 . 1 1 6 6 SER CA C 6 58.231 58.231 58.262 -0.031 25434 5651 1 15 . 1 1 6 6 SER CB C 6 64.028 64.028 63.556 0.472 25434 5652 1 15 . 1 1 6 6 SER H H 6 8.435 8.435 8.183 0.252 25434 5653 1 15 . 1 1 7 7 TYR N N 7 121.104 121.104 121.446 -0.342 25434 5654 1 15 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.524 0.218 25434 5655 1 15 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.077 -0.466 25434 5656 1 15 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.134 1.042 25434 5657 1 15 . 1 1 7 7 TYR H H 7 8.137 8.137 7.997 0.140 25434 5658 1 15 . 1 1 8 8 SER N N 8 116.875 116.875 116.268 0.607 25434 5659 1 15 . 1 1 8 8 SER HA H 8 4.539 4.539 3.935 0.604 25434 5660 1 15 . 1 1 8 8 SER CA C 8 58.327 58.327 58.530 -0.203 25434 5661 1 15 . 1 1 8 8 SER CB C 8 63.958 63.958 63.642 0.316 25434 5662 1 15 . 1 1 8 8 SER H H 8 8.364 8.364 7.504 0.860 25434 5663 1 15 . 1 1 9 9 GLN N N 9 120.999 120.999 119.630 1.369 25434 5664 1 15 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.569 -0.126 25434 5665 1 15 . 1 1 9 9 GLN CA C 9 56.678 56.678 54.816 1.862 25434 5666 1 15 . 1 1 9 9 GLN CB C 9 30.372 30.372 30.211 0.161 25434 5667 1 15 . 1 1 9 9 GLN H H 9 8.414 8.414 8.085 0.329 25434 5668 1 15 . 1 1 10 10 TYR N N 10 121.815 121.815 121.527 0.288 25434 5669 1 15 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.815 0.159 25434 5670 1 15 . 1 1 10 10 TYR CA C 10 56.383 56.383 57.902 -1.519 25434 5671 1 15 . 1 1 10 10 TYR CB C 10 40.009 40.009 38.336 1.673 25434 5672 1 15 . 1 1 10 10 TYR H H 10 8.549 8.549 8.492 0.057 25434 5673 1 15 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.483 0.133 25434 5674 1 15 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.541 -0.542 25434 5675 1 15 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.561 -0.358 25434 5676 1 15 . 1 1 12 12 VAL N N 12 120.450 120.450 119.447 1.003 25434 5677 1 15 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.321 -0.521 25434 5678 1 15 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.936 0.521 25434 5679 1 15 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.456 0.795 25434 5680 1 15 . 1 1 12 12 VAL H H 12 8.074 8.074 8.407 -0.333 25434 5681 1 15 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.576 -0.558 25434 5682 1 15 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.340 0.841 25434 5683 1 15 . 1 1 13 13 PRO CB C 13 32.632 32.632 33.510 -0.878 25434 5684 1 15 . 1 1 14 14 ASP N N 14 120.579 120.579 118.922 1.657 25434 5685 1 15 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.608 0.103 25434 5686 1 15 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.216 -0.142 25434 5687 1 15 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.529 -2.479 25434 5688 1 15 . 1 1 14 14 ASP H H 14 8.148 8.148 8.099 0.049 25434 5689 1 15 . 1 1 15 15 VAL N N 15 120.884 120.884 126.866 -5.982 25434 5690 1 15 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.832 0.338 25434 5691 1 15 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.907 -1.138 25434 5692 1 15 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.016 -0.119 25434 5693 1 15 . 1 1 15 15 VAL H H 15 8.161 8.161 8.307 -0.146 25434 5694 1 15 . 1 1 16 16 SER N N 16 116.885 116.885 115.150 1.735 25434 5695 1 15 . 1 1 16 16 SER HA H 16 4.294 4.294 4.066 0.228 25434 5696 1 15 . 1 1 16 16 SER CA C 16 61.011 61.011 60.771 0.240 25434 5697 1 15 . 1 1 16 16 SER CB C 16 63.004 63.004 62.922 0.082 25434 5698 1 15 . 1 1 16 16 SER H H 16 8.139 8.139 8.243 -0.104 25434 5699 1 15 . 1 1 17 17 THR N N 17 110.397 110.397 110.334 0.063 25434 5700 1 15 . 1 1 17 17 THR HA H 17 4.558 4.558 4.455 0.102 25434 5701 1 15 . 1 1 17 17 THR CA C 17 61.987 61.987 61.586 0.401 25434 5702 1 15 . 1 1 17 17 THR CB C 17 70.459 70.459 69.796 0.663 25434 5703 1 15 . 1 1 17 17 THR H H 17 7.549 7.549 7.449 0.100 25434 5704 1 15 . 1 1 18 18 TYR N N 18 120.956 120.956 122.478 -1.522 25434 5705 1 15 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.498 0.670 25434 5706 1 15 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.877 -2.054 25434 5707 1 15 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.348 -1.608 25434 5708 1 15 . 1 1 18 18 TYR H H 18 7.365 7.365 7.695 -0.330 25434 5709 1 15 . 1 1 19 19 GLN N N 19 119.670 119.670 119.255 0.415 25434 5710 1 15 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.762 0.290 25434 5711 1 15 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.364 0.023 25434 5712 1 15 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.773 0.674 25434 5713 1 15 . 1 1 19 19 GLN H H 19 9.372 9.372 8.871 0.501 25434 5714 1 15 . 1 1 20 20 TYR N N 20 126.395 126.395 128.091 -1.696 25434 5715 1 15 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.326 -0.224 25434 5716 1 15 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.550 -0.176 25434 5717 1 15 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.980 0.046 25434 5718 1 15 . 1 1 20 20 TYR H H 20 9.433 9.433 9.056 0.377 25434 5719 1 15 . 1 1 21 21 ASP N N 21 128.962 128.962 127.477 1.485 25434 5720 1 15 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.912 -0.032 25434 5721 1 15 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.226 -0.893 25434 5722 1 15 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.264 1.068 25434 5723 1 15 . 1 1 21 21 ASP H H 21 8.128 8.128 8.278 -0.150 25434 5724 1 15 . 1 1 22 22 GLU N N 22 124.636 124.636 122.571 2.065 25434 5725 1 15 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.784 0.014 25434 5726 1 15 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.661 -0.028 25434 5727 1 15 . 1 1 22 22 GLU CB C 22 29.712 29.712 28.911 0.801 25434 5728 1 15 . 1 1 22 22 GLU H H 22 8.768 8.768 8.656 0.112 25434 5729 1 15 . 1 1 23 23 THR N N 23 112.402 112.402 112.420 -0.018 25434 5730 1 15 . 1 1 23 23 THR HA H 23 4.045 4.045 4.103 -0.058 25434 5731 1 15 . 1 1 23 23 THR CA C 23 65.526 65.526 63.751 1.775 25434 5732 1 15 . 1 1 23 23 THR CB C 23 68.434 68.434 69.037 -0.603 25434 5733 1 15 . 1 1 23 23 THR H H 23 8.031 8.031 8.127 -0.096 25434 5734 1 15 . 1 1 24 24 SER N N 24 113.712 113.712 115.519 -1.807 25434 5735 1 15 . 1 1 24 24 SER HA H 24 4.327 4.327 4.480 -0.153 25434 5736 1 15 . 1 1 24 24 SER CA C 24 59.046 59.046 58.751 0.295 25434 5737 1 15 . 1 1 24 24 SER CB C 24 65.024 65.024 65.169 -0.145 25434 5738 1 15 . 1 1 24 24 SER H H 24 7.503 7.503 7.706 -0.203 25434 5739 1 15 . 1 1 25 25 GLY N N 25 111.227 111.227 107.666 3.561 25434 5740 1 15 . 1 1 25 25 GLY CA C 25 45.627 45.627 44.947 0.680 25434 5741 1 15 . 1 1 25 25 GLY H H 25 8.304 8.304 8.067 0.237 25434 5742 1 15 . 1 1 26 26 TYR N N 26 117.907 117.907 119.491 -1.584 25434 5743 1 15 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.821 0.566 25434 5744 1 15 . 1 1 26 26 TYR CA C 26 55.006 55.006 56.776 -1.770 25434 5745 1 15 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.096 -0.353 25434 5746 1 15 . 1 1 26 26 TYR H H 26 7.951 7.951 7.229 0.722 25434 5747 1 15 . 1 1 27 27 TYR N N 27 116.474 116.474 117.464 -0.990 25434 5748 1 15 . 1 1 27 27 TYR HA H 27 5.358 5.358 4.961 0.397 25434 5749 1 15 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.955 0.289 25434 5750 1 15 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.365 1.047 25434 5751 1 15 . 1 1 27 27 TYR H H 27 9.253 9.253 9.232 0.021 25434 5752 1 15 . 1 1 28 28 TYR N N 28 122.756 122.756 123.593 -0.837 25434 5753 1 15 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.147 0.631 25434 5754 1 15 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.151 1.833 25434 5755 1 15 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.343 0.652 25434 5756 1 15 . 1 1 28 28 TYR H H 28 9.686 9.686 9.340 0.346 25434 5757 1 15 . 1 1 29 29 ASP N N 29 125.994 125.994 126.347 -0.353 25434 5758 1 15 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.274 0.478 25434 5759 1 15 . 1 1 29 29 ASP CA C 29 49.202 49.202 50.526 -1.325 25434 5760 1 15 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.499 1.666 25434 5761 1 15 . 1 1 29 29 ASP H H 29 7.954 7.954 8.257 -0.303 25434 5762 1 15 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.942 0.128 25434 5763 1 15 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.109 -0.501 25434 5764 1 15 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.685 0.907 25434 5765 1 15 . 1 1 31 31 GLN N N 31 115.244 115.244 115.805 -0.561 25434 5766 1 15 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.133 0.099 25434 5767 1 15 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.602 0.915 25434 5768 1 15 . 1 1 31 31 GLN CB C 31 29.305 29.305 28.811 0.495 25434 5769 1 15 . 1 1 31 31 GLN H H 31 7.989 7.989 8.288 -0.299 25434 5770 1 15 . 1 1 32 32 THR N N 32 104.641 104.641 105.970 -1.329 25434 5771 1 15 . 1 1 32 32 THR HA H 32 4.332 4.332 4.413 -0.081 25434 5772 1 15 . 1 1 32 32 THR CA C 32 61.768 61.768 62.007 -0.239 25434 5773 1 15 . 1 1 32 32 THR CB C 32 71.212 71.212 71.727 -0.515 25434 5774 1 15 . 1 1 32 32 THR H H 32 6.765 6.765 7.611 -0.846 25434 5775 1 15 . 1 1 33 33 GLY N N 33 111.318 111.318 111.897 -0.579 25434 5776 1 15 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.876 -0.349 25434 5777 1 15 . 1 1 33 33 GLY H H 33 8.439 8.439 8.145 0.294 25434 5778 1 15 . 1 1 34 34 LEU N N 34 118.537 118.537 117.052 1.485 25434 5779 1 15 . 1 1 34 34 LEU HA H 34 4.601 4.601 5.140 -0.539 25434 5780 1 15 . 1 1 34 34 LEU CA C 34 54.021 54.021 53.120 0.901 25434 5781 1 15 . 1 1 34 34 LEU CB C 34 44.529 44.529 44.891 -0.362 25434 5782 1 15 . 1 1 34 34 LEU H H 34 7.422 7.422 7.126 0.296 25434 5783 1 15 . 1 1 35 35 TYR N N 35 116.166 116.166 115.701 0.465 25434 5784 1 15 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.329 0.193 25434 5785 1 15 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.220 0.026 25434 5786 1 15 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.708 -1.831 25434 5787 1 15 . 1 1 35 35 TYR H H 35 8.692 8.692 8.800 -0.108 25434 5788 1 15 . 1 1 36 36 TYR N N 36 121.442 121.442 120.461 0.981 25434 5789 1 15 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.594 0.362 25434 5790 1 15 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.284 0.693 25434 5791 1 15 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.550 0.164 25434 5792 1 15 . 1 1 36 36 TYR H H 36 9.745 9.745 9.129 0.616 25434 5793 1 15 . 1 1 37 37 ASP N N 37 127.129 127.129 121.529 5.600 25434 5794 1 15 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.724 0.517 25434 5795 1 15 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.327 -0.045 25434 5796 1 15 . 1 1 37 37 ASP CB C 37 42.859 42.859 43.986 -1.127 25434 5797 1 15 . 1 1 37 37 ASP H H 37 8.029 8.029 7.019 1.010 25434 5798 1 15 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.425 -0.346 25434 5799 1 15 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.280 -0.551 25434 5800 1 15 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.592 -0.104 25434 5801 1 15 . 1 1 39 39 ASN N N 39 115.838 115.838 116.457 -0.619 25434 5802 1 15 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.578 0.100 25434 5803 1 15 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.851 0.868 25434 5804 1 15 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.712 -0.725 25434 5805 1 15 . 1 1 39 39 ASN H H 39 8.232 8.232 8.394 -0.162 25434 5806 1 15 . 1 1 40 40 SER N N 40 112.476 112.476 115.310 -2.834 25434 5807 1 15 . 1 1 40 40 SER HA H 40 4.346 4.346 4.717 -0.371 25434 5808 1 15 . 1 1 40 40 SER CA C 40 58.832 58.832 57.430 1.402 25434 5809 1 15 . 1 1 40 40 SER CB C 40 64.576 64.576 63.565 1.011 25434 5810 1 15 . 1 1 40 40 SER H H 40 7.371 7.371 8.252 -0.881 25434 5811 1 15 . 1 1 41 41 GLN N N 41 114.329 114.329 121.843 -7.514 25434 5812 1 15 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.907 -0.127 25434 5813 1 15 . 1 1 41 41 GLN CA C 41 58.162 58.162 55.732 2.430 25434 5814 1 15 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.606 -2.629 25434 5815 1 15 . 1 1 41 41 GLN H H 41 8.203 8.203 8.621 -0.418 25434 5816 1 15 . 1 1 42 42 TYR N N 42 115.202 115.202 117.922 -2.720 25434 5817 1 15 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.881 0.640 25434 5818 1 15 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.259 -0.623 25434 5819 1 15 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.678 2.704 25434 5820 1 15 . 1 1 42 42 TYR H H 42 7.621 7.621 7.474 0.147 25434 5821 1 15 . 1 1 43 43 TYR N N 43 118.608 118.608 124.350 -5.742 25434 5822 1 15 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.776 0.919 25434 5823 1 15 . 1 1 43 43 TYR CA C 43 57.321 57.321 58.355 -1.034 25434 5824 1 15 . 1 1 43 43 TYR CB C 43 41.858 41.858 38.944 2.914 25434 5825 1 15 . 1 1 43 43 TYR H H 43 9.724 9.724 8.867 0.857 25434 5826 1 15 . 1 1 44 44 TYR N N 44 121.727 121.727 127.924 -6.197 25434 5827 1 15 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.522 0.660 25434 5828 1 15 . 1 1 44 44 TYR CA C 44 56.548 56.548 58.324 -1.776 25434 5829 1 15 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.194 3.069 25434 5830 1 15 . 1 1 44 44 TYR H H 44 9.594 9.594 9.472 0.122 25434 5831 1 15 . 1 1 45 45 ASN N N 45 125.423 125.423 127.248 -1.825 25434 5832 1 15 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.807 0.198 25434 5833 1 15 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.916 0.004 25434 5834 1 15 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.390 0.881 25434 5835 1 15 . 1 1 45 45 ASN H H 45 8.244 8.244 8.718 -0.474 25434 5836 1 15 . 1 1 46 46 ALA N N 46 126.039 126.039 127.978 -1.939 25434 5837 1 15 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.795 -0.018 25434 5838 1 15 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.591 -0.818 25434 5839 1 15 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.688 0.467 25434 5840 1 15 . 1 1 46 46 ALA H H 46 8.974 8.974 8.230 0.744 25434 5841 1 15 . 1 1 47 47 GLN N N 47 116.850 116.850 118.661 -1.811 25434 5842 1 15 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.115 0.179 25434 5843 1 15 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.415 0.213 25434 5844 1 15 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.985 -0.462 25434 5845 1 15 . 1 1 47 47 GLN H H 47 8.349 8.349 8.333 0.016 25434 5846 1 15 . 1 1 48 48 SER N N 48 111.872 111.872 112.312 -0.440 25434 5847 1 15 . 1 1 48 48 SER HA H 48 4.474 4.474 4.612 -0.138 25434 5848 1 15 . 1 1 48 48 SER CA C 48 57.580 57.580 57.896 -0.316 25434 5849 1 15 . 1 1 48 48 SER CB C 48 64.262 64.262 63.707 0.555 25434 5850 1 15 . 1 1 48 48 SER H H 48 7.544 7.544 7.886 -0.342 25434 5851 1 15 . 1 1 49 49 GLN N N 49 118.063 118.063 115.268 2.795 25434 5852 1 15 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.645 0.076 25434 5853 1 15 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.014 0.161 25434 5854 1 15 . 1 1 49 49 GLN CB C 49 25.933 25.933 25.960 -0.027 25434 5855 1 15 . 1 1 49 49 GLN H H 49 7.969 7.969 7.673 0.296 25434 5856 1 15 . 1 1 50 50 GLN N N 50 116.254 116.254 117.361 -1.107 25434 5857 1 15 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.661 0.158 25434 5858 1 15 . 1 1 50 50 GLN CA C 50 54.501 54.501 53.854 0.647 25434 5859 1 15 . 1 1 50 50 GLN CB C 50 33.410 33.410 30.816 2.594 25434 5860 1 15 . 1 1 50 50 GLN H H 50 7.180 7.180 7.303 -0.123 25434 5861 1 15 . 1 1 51 51 TYR N N 51 121.463 121.463 120.356 1.107 25434 5862 1 15 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.087 0.593 25434 5863 1 15 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.184 0.986 25434 5864 1 15 . 1 1 51 51 TYR CB C 51 40.066 40.066 39.517 0.549 25434 5865 1 15 . 1 1 51 51 TYR H H 51 8.931 8.931 8.741 0.190 25434 5866 1 15 . 1 1 52 52 LEU N N 52 122.429 122.429 121.879 0.550 25434 5867 1 15 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.575 -0.027 25434 5868 1 15 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.438 0.995 25434 5869 1 15 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.546 1.503 25434 5870 1 15 . 1 1 52 52 LEU H H 52 9.726 9.726 9.015 0.711 25434 5871 1 15 . 1 1 53 53 TYR N N 53 117.639 117.639 114.560 3.079 25434 5872 1 15 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.278 0.599 25434 5873 1 15 . 1 1 53 53 TYR CA C 53 55.717 55.717 56.122 -0.405 25434 5874 1 15 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.731 0.396 25434 5875 1 15 . 1 1 53 53 TYR H H 53 9.533 9.533 9.186 0.347 25434 5876 1 15 . 1 1 54 54 TRP N N 54 122.206 122.206 125.964 -3.758 25434 5877 1 15 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.534 -0.028 25434 5878 1 15 . 1 1 54 54 TRP CA C 54 56.813 56.813 55.696 1.117 25434 5879 1 15 . 1 1 54 54 TRP CB C 54 30.348 30.348 29.504 0.844 25434 5880 1 15 . 1 1 54 54 TRP H H 54 9.253 9.253 9.293 -0.040 25434 5881 1 15 . 1 1 55 55 ASP N N 55 128.978 128.978 128.753 0.225 25434 5882 1 15 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.537 0.158 25434 5883 1 15 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.656 -0.773 25434 5884 1 15 . 1 1 55 55 ASP CB C 55 42.843 42.843 40.526 2.317 25434 5885 1 15 . 1 1 55 55 ASP H H 55 8.031 8.031 7.521 0.510 25434 5886 1 15 . 1 1 56 56 GLY N N 56 111.521 111.521 112.228 -0.707 25434 5887 1 15 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.102 0.673 25434 5888 1 15 . 1 1 56 56 GLY H H 56 8.548 8.548 7.896 0.652 25434 5889 1 15 . 1 1 57 57 GLU N N 57 120.202 120.202 119.221 0.981 25434 5890 1 15 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.058 0.235 25434 5891 1 15 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.308 0.010 25434 5892 1 15 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.624 0.259 25434 5893 1 15 . 1 1 57 57 GLU H H 57 8.188 8.188 7.697 0.491 25434 5894 1 15 . 1 1 58 58 ARG N N 58 116.912 116.912 116.278 0.634 25434 5895 1 15 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.401 -0.270 25434 5896 1 15 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.102 1.340 25434 5897 1 15 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.268 0.619 25434 5898 1 15 . 1 1 58 58 ARG H H 58 7.636 7.636 7.340 0.295 25434 5899 1 15 . 1 1 59 59 ARG N N 59 116.563 116.563 118.232 -1.669 25434 5900 1 15 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.137 0.100 25434 5901 1 15 . 1 1 59 59 ARG CA C 59 56.732 56.732 57.006 -0.274 25434 5902 1 15 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.709 -1.075 25434 5903 1 15 . 1 1 59 59 ARG H H 59 7.878 7.878 7.779 0.099 25434 5904 1 15 . 1 1 60 60 THR N N 60 109.170 109.170 111.291 -2.121 25434 5905 1 15 . 1 1 60 60 THR HA H 60 4.516 4.516 4.645 -0.129 25434 5906 1 15 . 1 1 60 60 THR CA C 60 60.050 60.050 59.487 0.563 25434 5907 1 15 . 1 1 60 60 THR CB C 60 69.758 69.758 71.729 -1.971 25434 5908 1 15 . 1 1 60 60 THR H H 60 6.591 6.591 6.745 -0.154 25434 5909 1 15 . 1 1 61 61 TYR N N 61 120.491 120.491 120.423 0.068 25434 5910 1 15 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.235 -0.160 25434 5911 1 15 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.093 1.300 25434 5912 1 15 . 1 1 61 61 TYR CB C 61 40.381 40.381 40.232 0.149 25434 5913 1 15 . 1 1 61 61 TYR H H 61 7.474 7.474 8.209 -0.735 25434 5914 1 15 . 1 1 62 62 VAL N N 62 123.115 123.115 118.212 4.903 25434 5915 1 15 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.686 -0.042 25434 5916 1 15 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.866 0.744 25434 5917 1 15 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.151 0.267 25434 5918 1 15 . 1 1 62 62 VAL H H 62 9.176 9.176 8.356 0.820 25434 5919 1 15 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.803 -0.039 25434 5920 1 15 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.488 1.153 25434 5921 1 15 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.408 1.150 25434 5922 1 15 . 1 1 64 64 ALA N N 64 126.032 126.032 130.678 -4.646 25434 5923 1 15 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.536 0.109 25434 5924 1 15 . 1 1 64 64 ALA CA C 64 52.126 52.126 51.089 1.037 25434 5925 1 15 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.157 1.595 25434 5926 1 15 . 1 1 64 64 ALA H H 64 8.708 8.708 8.413 0.295 25434 5927 1 15 . 1 1 65 65 LEU N N 65 120.884 120.884 116.765 4.119 25434 5928 1 15 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.288 0.203 25434 5929 1 15 . 1 1 65 65 LEU CA C 65 55.656 55.656 54.340 1.316 25434 5930 1 15 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.632 1.006 25434 5931 1 15 . 1 1 65 65 LEU H H 65 8.469 8.469 7.554 0.915 25434 5932 1 15 . 1 1 66 66 GLU N N 66 115.912 115.912 121.088 -5.176 25434 5933 1 15 . 1 1 66 66 GLU HA H 66 4.546 4.546 3.934 0.612 25434 5934 1 15 . 1 1 66 66 GLU CA C 66 55.780 55.780 58.630 -2.850 25434 5935 1 15 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.517 3.510 25434 5936 1 15 . 1 1 66 66 GLU H H 66 8.328 8.328 8.827 -0.499 25434 5937 1 15 . 1 1 67 67 GLN N N 67 120.380 120.380 114.120 6.260 25434 5938 1 15 . 1 1 67 67 GLN HA H 67 4.482 4.482 3.953 0.529 25434 5939 1 15 . 1 1 67 67 GLN CA C 67 55.771 55.771 57.221 -1.450 25434 5940 1 15 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.422 2.318 25434 5941 1 15 . 1 1 67 67 GLN H H 67 8.478 8.478 8.472 0.006 25434 5942 1 15 . 1 1 68 68 SER N N 68 116.287 116.287 113.132 3.155 25434 5943 1 15 . 1 1 68 68 SER HA H 68 4.575 4.575 4.555 0.020 25434 5944 1 15 . 1 1 68 68 SER CA C 68 58.309 58.309 58.363 -0.054 25434 5945 1 15 . 1 1 68 68 SER CB C 68 64.119 64.119 63.703 0.417 25434 5946 1 15 . 1 1 68 68 SER H H 68 8.370 8.370 8.054 0.316 25434 5947 1 15 . 1 1 69 69 ALA N N 69 125.968 125.968 123.896 2.072 25434 5948 1 15 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.545 -0.102 25434 5949 1 15 . 1 1 69 69 ALA CA C 69 52.982 52.982 51.883 1.099 25434 5950 1 15 . 1 1 69 69 ALA CB C 69 19.365 19.365 21.167 -1.802 25434 5951 1 15 . 1 1 69 69 ALA H H 69 8.533 8.533 7.555 0.978 25434 5952 1 15 . 1 1 70 70 ASP N N 70 118.262 118.262 120.239 -1.977 25434 5953 1 15 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.319 0.363 25434 5954 1 15 . 1 1 70 70 ASP CA C 70 54.469 54.469 55.632 -1.163 25434 5955 1 15 . 1 1 70 70 ASP CB C 70 41.379 41.379 40.290 1.089 25434 5956 1 15 . 1 1 70 70 ASP H H 70 8.300 8.300 8.794 -0.494 25434 5957 1 15 . 1 1 71 71 GLY N N 71 108.495 108.495 106.146 2.349 25434 5958 1 15 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.794 1.028 25434 5959 1 15 . 1 1 71 71 GLY H H 71 8.291 8.291 7.740 0.551 25434 5960 1 15 . 1 1 72 72 HIS N N 72 118.240 118.240 120.411 -2.171 25434 5961 1 15 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.500 0.267 25434 5962 1 15 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.825 -0.979 25434 5963 1 15 . 1 1 72 72 HIS CB C 72 29.363 29.363 27.924 1.439 25434 5964 1 15 . 1 1 72 72 HIS H H 72 8.354 8.354 8.595 -0.240 25434 5965 1 15 . 1 1 73 73 LYS N N 73 121.591 121.591 123.205 -1.614 25434 5966 1 15 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.552 -0.109 25434 5967 1 15 . 1 1 73 73 LYS CA C 73 56.601 56.601 54.632 1.969 25434 5968 1 15 . 1 1 73 73 LYS CB C 73 33.133 33.133 34.039 -0.906 25434 5969 1 15 . 1 1 73 73 LYS H H 73 8.457 8.457 7.735 0.722 25434 5970 1 15 . 1 1 74 74 GLU N N 74 122.169 122.169 120.166 2.003 25434 5971 1 15 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.142 0.352 25434 5972 1 15 . 1 1 74 74 GLU CA C 74 56.565 56.565 57.925 -1.360 25434 5973 1 15 . 1 1 74 74 GLU CB C 74 30.327 30.327 30.072 0.255 25434 5974 1 15 . 1 1 74 74 GLU H H 74 8.669 8.669 8.686 -0.017 25434 5975 1 15 . 1 1 75 75 THR N N 75 114.560 114.560 108.585 5.975 25434 5976 1 15 . 1 1 75 75 THR HA H 75 4.463 4.463 3.939 0.524 25434 5977 1 15 . 1 1 75 75 THR CA C 75 61.998 61.998 62.593 -0.595 25434 5978 1 15 . 1 1 75 75 THR CB C 75 69.901 69.901 67.508 2.393 25434 5979 1 15 . 1 1 75 75 THR H H 75 8.313 8.313 8.036 0.277 25434 5980 1 15 . 1 1 76 76 GLY N N 76 110.986 110.986 110.674 0.312 25434 5981 1 15 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.698 0.696 25434 5982 1 15 . 1 1 76 76 GLY H H 76 8.493 8.493 8.070 0.423 25434 5983 1 15 . 1 1 77 77 ALA N N 77 123.316 123.316 128.027 -4.711 25434 5984 1 15 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.601 0.033 25434 5985 1 15 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.306 0.305 25434 5986 1 15 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.894 -1.423 25434 5987 1 15 . 1 1 77 77 ALA H H 77 8.025 8.025 7.895 0.130 25434 5988 1 15 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.561 0.167 25434 5989 1 15 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.919 0.050 25434 5990 1 15 . 1 1 79 79 SER N N 79 116.876 116.876 116.362 0.514 25434 5991 1 15 . 1 1 79 79 SER HA H 79 4.543 4.543 4.527 0.016 25434 5992 1 15 . 1 1 79 79 SER CA C 79 58.548 58.548 57.268 1.280 25434 5993 1 15 . 1 1 79 79 SER CB C 79 63.972 63.972 63.562 0.410 25434 5994 1 15 . 1 1 79 79 SER H H 79 8.627 8.627 7.916 0.711 25434 5995 1 15 . 1 1 80 80 LYS N N 80 122.282 122.282 124.961 -2.679 25434 5996 1 15 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.284 0.113 25434 5997 1 15 . 1 1 80 80 LYS CA C 80 56.628 56.628 54.703 1.925 25434 5998 1 15 . 1 1 80 80 LYS CB C 80 33.268 33.268 30.297 2.971 25434 5999 1 15 . 1 1 80 80 LYS H H 80 8.359 8.359 8.468 -0.109 25434 6000 1 15 . 1 1 81 81 GLU N N 81 121.390 121.390 117.203 4.187 25434 6001 1 15 . 1 1 81 81 GLU HA H 81 4.387 4.387 3.962 0.425 25434 6002 1 15 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.940 -1.167 25434 6003 1 15 . 1 1 81 81 GLU CB C 81 30.374 30.374 27.837 2.537 25434 6004 1 15 . 1 1 81 81 GLU H H 81 8.521 8.521 8.530 -0.009 25434 6005 1 15 . 1 1 82 82 GLY N N 82 109.657 109.657 105.035 4.622 25434 6006 1 15 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.498 0.235 25434 6007 1 15 . 1 1 82 82 GLY H H 82 8.491 8.491 7.985 0.506 25434 6008 1 15 . 1 1 83 83 LYS N N 83 120.424 120.424 120.984 -0.560 25434 6009 1 15 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.367 0.028 25434 6010 1 15 . 1 1 83 83 LYS CA C 83 56.900 56.900 57.442 -0.542 25434 6011 1 15 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.851 0.371 25434 6012 1 15 . 1 1 83 83 LYS H H 83 8.237 8.237 7.908 0.329 25434 6013 1 15 . 1 1 84 84 GLU N N 84 120.758 120.758 119.538 1.220 25434 6014 1 15 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.169 0.209 25434 6015 1 15 . 1 1 84 84 GLU CA C 84 56.735 56.735 59.005 -2.269 25434 6016 1 15 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.260 1.342 25434 6017 1 15 . 1 1 84 84 GLU H H 84 8.571 8.571 8.556 0.015 25434 6018 1 15 . 1 1 85 85 LYS N N 85 122.155 122.155 115.436 6.719 25434 6019 1 15 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.541 -0.130 25434 6020 1 15 . 1 1 85 85 LYS CA C 85 56.321 56.321 56.232 0.089 25434 6021 1 15 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.125 1.068 25434 6022 1 15 . 1 1 85 85 LYS H H 85 8.558 8.558 8.104 0.454 25434 6023 1 15 . 1 1 86 86 LYS N N 86 122.185 122.185 122.176 0.009 25434 6024 1 15 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.218 0.154 25434 6025 1 15 . 1 1 86 86 LYS CA C 86 56.669 56.669 58.320 -1.651 25434 6026 1 15 . 1 1 86 86 LYS CB C 86 33.268 33.268 33.231 0.037 25434 6027 1 15 . 1 1 86 86 LYS H H 86 8.397 8.397 8.244 0.153 25434 6028 1 15 . 1 1 87 87 GLU N N 87 124.443 124.443 118.196 6.247 25434 6029 1 15 . 1 1 87 87 GLU HA H 87 4.524 4.524 3.929 0.595 25434 6030 1 15 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.289 0.968 25434 6031 1 15 . 1 1 87 87 GLU CB C 87 33.559 33.559 28.070 5.489 25434 6032 1 15 . 1 1 87 87 GLU H H 87 8.175 8.175 7.929 0.246 25434 6033 1 15 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.218 0.569 25434 6034 1 15 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.362 -0.608 25434 6035 1 15 . 1 1 89 89 HIS CB C 89 30.327 30.327 27.777 2.550 25434 6036 1 15 . 1 1 90 90 LYS N N 90 122.178 122.178 121.732 0.446 25434 6037 1 15 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.566 -0.169 25434 6038 1 15 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.268 0.329 25434 6039 1 15 . 1 1 90 90 LYS CB C 90 33.222 33.222 32.395 0.827 25434 6040 1 15 . 1 1 90 90 LYS H H 90 8.335 8.335 8.079 0.256 25434 6041 1 15 . 1 1 91 91 THR N N 91 121.268 121.268 123.555 -2.287 25434 6042 1 15 . 1 1 91 91 THR HA H 91 4.453 4.453 4.386 0.067 25434 6043 1 15 . 1 1 91 91 THR CA C 91 61.956 61.956 63.173 -1.218 25434 6044 1 15 . 1 1 91 91 THR CB C 91 69.916 69.916 68.392 1.524 25434 6045 1 15 . 1 1 91 91 THR H H 91 8.047 8.047 8.645 -0.598 25434 6046 1 16 . 1 1 5 5 GLU N N 5 123.289 123.289 120.978 2.311 25434 6047 1 16 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.218 0.316 25434 6048 1 16 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.970 6.270 25434 6049 1 16 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.126 2.099 25434 6050 1 16 . 1 1 5 5 GLU H H 5 8.538 8.538 8.659 -0.121 25434 6051 1 16 . 1 1 6 6 SER N N 6 115.506 115.506 109.802 5.704 25434 6052 1 16 . 1 1 6 6 SER HA H 6 4.552 4.552 4.449 0.103 25434 6053 1 16 . 1 1 6 6 SER CA C 6 58.231 58.231 58.070 0.161 25434 6054 1 16 . 1 1 6 6 SER CB C 6 64.028 64.028 63.802 0.226 25434 6055 1 16 . 1 1 6 6 SER H H 6 8.435 8.435 8.171 0.264 25434 6056 1 16 . 1 1 7 7 TYR N N 7 121.104 121.104 123.487 -2.383 25434 6057 1 16 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.453 0.289 25434 6058 1 16 . 1 1 7 7 TYR CA C 7 57.611 57.611 59.302 -1.691 25434 6059 1 16 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.833 0.343 25434 6060 1 16 . 1 1 7 7 TYR H H 7 8.137 8.137 7.885 0.252 25434 6061 1 16 . 1 1 8 8 SER N N 8 116.875 116.875 120.821 -3.946 25434 6062 1 16 . 1 1 8 8 SER HA H 8 4.539 4.539 4.430 0.109 25434 6063 1 16 . 1 1 8 8 SER CA C 8 58.327 58.327 57.999 0.328 25434 6064 1 16 . 1 1 8 8 SER CB C 8 63.958 63.958 63.702 0.256 25434 6065 1 16 . 1 1 8 8 SER H H 8 8.364 8.364 8.155 0.209 25434 6066 1 16 . 1 1 9 9 GLN N N 9 120.999 120.999 119.460 1.539 25434 6067 1 16 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.404 0.039 25434 6068 1 16 . 1 1 9 9 GLN CA C 9 56.678 56.678 56.131 0.547 25434 6069 1 16 . 1 1 9 9 GLN CB C 9 30.372 30.372 30.295 0.077 25434 6070 1 16 . 1 1 9 9 GLN H H 9 8.414 8.414 7.667 0.747 25434 6071 1 16 . 1 1 10 10 TYR N N 10 121.815 121.815 120.885 0.930 25434 6072 1 16 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.825 0.149 25434 6073 1 16 . 1 1 10 10 TYR CA C 10 56.383 56.383 56.426 -0.043 25434 6074 1 16 . 1 1 10 10 TYR CB C 10 40.009 40.009 38.308 1.701 25434 6075 1 16 . 1 1 10 10 TYR H H 10 8.549 8.549 8.013 0.536 25434 6076 1 16 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.517 0.099 25434 6077 1 16 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.411 -0.412 25434 6078 1 16 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.776 -0.573 25434 6079 1 16 . 1 1 12 12 VAL N N 12 120.450 120.450 119.383 1.067 25434 6080 1 16 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.458 -0.658 25434 6081 1 16 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.213 0.244 25434 6082 1 16 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.523 0.728 25434 6083 1 16 . 1 1 12 12 VAL H H 12 8.074 8.074 8.335 -0.261 25434 6084 1 16 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.469 -0.451 25434 6085 1 16 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.592 0.589 25434 6086 1 16 . 1 1 13 13 PRO CB C 13 32.632 32.632 33.008 -0.376 25434 6087 1 16 . 1 1 14 14 ASP N N 14 120.579 120.579 118.552 2.027 25434 6088 1 16 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.665 0.046 25434 6089 1 16 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.478 -0.404 25434 6090 1 16 . 1 1 14 14 ASP CB C 14 41.050 41.050 44.183 -3.133 25434 6091 1 16 . 1 1 14 14 ASP H H 14 8.148 8.148 8.068 0.080 25434 6092 1 16 . 1 1 15 15 VAL N N 15 120.884 120.884 124.799 -3.915 25434 6093 1 16 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.918 0.252 25434 6094 1 16 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.662 -0.893 25434 6095 1 16 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.348 -0.451 25434 6096 1 16 . 1 1 15 15 VAL H H 15 8.161 8.161 8.253 -0.092 25434 6097 1 16 . 1 1 16 16 SER N N 16 116.885 116.885 116.386 0.499 25434 6098 1 16 . 1 1 16 16 SER HA H 16 4.294 4.294 4.190 0.104 25434 6099 1 16 . 1 1 16 16 SER CA C 16 61.011 61.011 60.575 0.437 25434 6100 1 16 . 1 1 16 16 SER CB C 16 63.004 63.004 63.082 -0.078 25434 6101 1 16 . 1 1 16 16 SER H H 16 8.139 8.139 8.628 -0.489 25434 6102 1 16 . 1 1 17 17 THR N N 17 110.397 110.397 111.886 -1.489 25434 6103 1 16 . 1 1 17 17 THR HA H 17 4.558 4.558 4.398 0.160 25434 6104 1 16 . 1 1 17 17 THR CA C 17 61.987 61.987 61.858 0.129 25434 6105 1 16 . 1 1 17 17 THR CB C 17 70.459 70.459 69.684 0.775 25434 6106 1 16 . 1 1 17 17 THR H H 17 7.549 7.549 7.349 0.200 25434 6107 1 16 . 1 1 18 18 TYR N N 18 120.956 120.956 122.372 -1.416 25434 6108 1 16 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.502 0.666 25434 6109 1 16 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.127 -2.304 25434 6110 1 16 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.189 -1.449 25434 6111 1 16 . 1 1 18 18 TYR H H 18 7.365 7.365 7.453 -0.088 25434 6112 1 16 . 1 1 19 19 GLN N N 19 119.670 119.670 119.471 0.199 25434 6113 1 16 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.778 0.274 25434 6114 1 16 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.349 0.037 25434 6115 1 16 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.908 0.539 25434 6116 1 16 . 1 1 19 19 GLN H H 19 9.372 9.372 8.980 0.392 25434 6117 1 16 . 1 1 20 20 TYR N N 20 126.395 126.395 128.530 -2.135 25434 6118 1 16 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.344 -0.242 25434 6119 1 16 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.241 0.133 25434 6120 1 16 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.885 0.141 25434 6121 1 16 . 1 1 20 20 TYR H H 20 9.433 9.433 8.979 0.454 25434 6122 1 16 . 1 1 21 21 ASP N N 21 128.962 128.962 127.362 1.600 25434 6123 1 16 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.806 0.074 25434 6124 1 16 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.496 -0.163 25434 6125 1 16 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.578 -0.246 25434 6126 1 16 . 1 1 21 21 ASP H H 21 8.128 8.128 8.139 -0.011 25434 6127 1 16 . 1 1 22 22 GLU N N 22 124.636 124.636 124.540 0.096 25434 6128 1 16 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.870 -0.072 25434 6129 1 16 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.497 0.136 25434 6130 1 16 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.171 0.541 25434 6131 1 16 . 1 1 22 22 GLU H H 22 8.768 8.768 8.839 -0.071 25434 6132 1 16 . 1 1 23 23 THR N N 23 112.402 112.402 113.935 -1.533 25434 6133 1 16 . 1 1 23 23 THR HA H 23 4.045 4.045 4.089 -0.044 25434 6134 1 16 . 1 1 23 23 THR CA C 23 65.526 65.526 64.689 0.837 25434 6135 1 16 . 1 1 23 23 THR CB C 23 68.434 68.434 69.073 -0.639 25434 6136 1 16 . 1 1 23 23 THR H H 23 8.031 8.031 7.889 0.142 25434 6137 1 16 . 1 1 24 24 SER N N 24 113.712 113.712 113.311 0.401 25434 6138 1 16 . 1 1 24 24 SER HA H 24 4.327 4.327 4.577 -0.250 25434 6139 1 16 . 1 1 24 24 SER CA C 24 59.046 59.046 58.036 1.010 25434 6140 1 16 . 1 1 24 24 SER CB C 24 65.024 65.024 65.366 -0.342 25434 6141 1 16 . 1 1 24 24 SER H H 24 7.503 7.503 7.601 -0.098 25434 6142 1 16 . 1 1 25 25 GLY N N 25 111.227 111.227 110.599 0.628 25434 6143 1 16 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.609 0.018 25434 6144 1 16 . 1 1 25 25 GLY H H 25 8.304 8.304 8.146 0.158 25434 6145 1 16 . 1 1 26 26 TYR N N 26 117.907 117.907 118.682 -0.775 25434 6146 1 16 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.832 0.555 25434 6147 1 16 . 1 1 26 26 TYR CA C 26 55.006 55.006 56.947 -1.941 25434 6148 1 16 . 1 1 26 26 TYR CB C 26 40.743 40.743 42.114 -1.371 25434 6149 1 16 . 1 1 26 26 TYR H H 26 7.951 7.951 7.299 0.652 25434 6150 1 16 . 1 1 27 27 TYR N N 27 116.474 116.474 117.455 -0.981 25434 6151 1 16 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.125 0.233 25434 6152 1 16 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.382 0.861 25434 6153 1 16 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.932 0.480 25434 6154 1 16 . 1 1 27 27 TYR H H 27 9.253 9.253 9.070 0.183 25434 6155 1 16 . 1 1 28 28 TYR N N 28 122.756 122.756 124.489 -1.733 25434 6156 1 16 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.356 0.422 25434 6157 1 16 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.895 1.088 25434 6158 1 16 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.327 0.668 25434 6159 1 16 . 1 1 28 28 TYR H H 28 9.686 9.686 9.454 0.232 25434 6160 1 16 . 1 1 29 29 ASP N N 29 125.994 125.994 126.550 -0.556 25434 6161 1 16 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.245 0.507 25434 6162 1 16 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.350 -0.148 25434 6163 1 16 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.088 1.077 25434 6164 1 16 . 1 1 29 29 ASP H H 29 7.954 7.954 7.996 -0.042 25434 6165 1 16 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.984 0.086 25434 6166 1 16 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.331 -0.722 25434 6167 1 16 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.641 0.951 25434 6168 1 16 . 1 1 31 31 GLN N N 31 115.244 115.244 117.207 -1.963 25434 6169 1 16 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.209 0.023 25434 6170 1 16 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.471 1.046 25434 6171 1 16 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.595 -0.290 25434 6172 1 16 . 1 1 31 31 GLN H H 31 7.989 7.989 8.477 -0.488 25434 6173 1 16 . 1 1 32 32 THR N N 32 104.641 104.641 105.317 -0.676 25434 6174 1 16 . 1 1 32 32 THR HA H 32 4.332 4.332 4.492 -0.160 25434 6175 1 16 . 1 1 32 32 THR CA C 32 61.768 61.768 61.987 -0.219 25434 6176 1 16 . 1 1 32 32 THR CB C 32 71.212 71.212 71.530 -0.318 25434 6177 1 16 . 1 1 32 32 THR H H 32 6.765 6.765 7.646 -0.881 25434 6178 1 16 . 1 1 33 33 GLY N N 33 111.318 111.318 110.946 0.372 25434 6179 1 16 . 1 1 33 33 GLY CA C 33 45.527 45.527 44.879 0.648 25434 6180 1 16 . 1 1 33 33 GLY H H 33 8.439 8.439 8.136 0.303 25434 6181 1 16 . 1 1 34 34 LEU N N 34 118.537 118.537 120.363 -1.826 25434 6182 1 16 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.238 0.363 25434 6183 1 16 . 1 1 34 34 LEU CA C 34 54.021 54.021 55.685 -1.664 25434 6184 1 16 . 1 1 34 34 LEU CB C 34 44.529 44.529 42.495 2.034 25434 6185 1 16 . 1 1 34 34 LEU H H 34 7.422 7.422 6.956 0.466 25434 6186 1 16 . 1 1 35 35 TYR N N 35 116.166 116.166 115.080 1.086 25434 6187 1 16 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.230 0.292 25434 6188 1 16 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.198 0.048 25434 6189 1 16 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.065 -1.189 25434 6190 1 16 . 1 1 35 35 TYR H H 35 8.692 8.692 8.663 0.029 25434 6191 1 16 . 1 1 36 36 TYR N N 36 121.442 121.442 119.148 2.294 25434 6192 1 16 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.651 0.305 25434 6193 1 16 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.508 0.469 25434 6194 1 16 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.897 -0.183 25434 6195 1 16 . 1 1 36 36 TYR H H 36 9.745 9.745 9.415 0.330 25434 6196 1 16 . 1 1 37 37 ASP N N 37 127.129 127.129 120.179 6.950 25434 6197 1 16 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.762 0.479 25434 6198 1 16 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.384 -0.102 25434 6199 1 16 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.220 -1.361 25434 6200 1 16 . 1 1 37 37 ASP H H 37 8.029 8.029 7.350 0.679 25434 6201 1 16 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.248 -0.169 25434 6202 1 16 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.729 -1.000 25434 6203 1 16 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.389 0.099 25434 6204 1 16 . 1 1 39 39 ASN N N 39 115.838 115.838 115.879 -0.041 25434 6205 1 16 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.609 0.069 25434 6206 1 16 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.658 1.061 25434 6207 1 16 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.925 -0.938 25434 6208 1 16 . 1 1 39 39 ASN H H 39 8.232 8.232 8.367 -0.135 25434 6209 1 16 . 1 1 40 40 SER N N 40 112.476 112.476 115.056 -2.580 25434 6210 1 16 . 1 1 40 40 SER HA H 40 4.346 4.346 4.641 -0.295 25434 6211 1 16 . 1 1 40 40 SER CA C 40 58.832 58.832 57.120 1.712 25434 6212 1 16 . 1 1 40 40 SER CB C 40 64.576 64.576 63.574 1.002 25434 6213 1 16 . 1 1 40 40 SER H H 40 7.371 7.371 8.259 -0.888 25434 6214 1 16 . 1 1 41 41 GLN N N 41 114.329 114.329 123.037 -8.708 25434 6215 1 16 . 1 1 41 41 GLN HA H 41 3.780 3.780 4.056 -0.276 25434 6216 1 16 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.508 1.655 25434 6217 1 16 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.395 -2.418 25434 6218 1 16 . 1 1 41 41 GLN H H 41 8.203 8.203 8.547 -0.344 25434 6219 1 16 . 1 1 42 42 TYR N N 42 115.202 115.202 118.400 -3.198 25434 6220 1 16 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.822 0.699 25434 6221 1 16 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.968 -1.332 25434 6222 1 16 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.673 2.708 25434 6223 1 16 . 1 1 42 42 TYR H H 42 7.621 7.621 6.934 0.687 25434 6224 1 16 . 1 1 43 43 TYR N N 43 118.608 118.608 124.410 -5.802 25434 6225 1 16 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.790 0.905 25434 6226 1 16 . 1 1 43 43 TYR CA C 43 57.321 57.321 58.638 -1.317 25434 6227 1 16 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.460 2.398 25434 6228 1 16 . 1 1 43 43 TYR H H 43 9.724 9.724 9.004 0.720 25434 6229 1 16 . 1 1 44 44 TYR N N 44 121.727 121.727 125.822 -4.095 25434 6230 1 16 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.615 0.567 25434 6231 1 16 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.146 0.402 25434 6232 1 16 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.617 2.646 25434 6233 1 16 . 1 1 44 44 TYR H H 44 9.594 9.594 8.952 0.642 25434 6234 1 16 . 1 1 45 45 ASN N N 45 125.423 125.423 127.022 -1.599 25434 6235 1 16 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.701 0.304 25434 6236 1 16 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.676 0.244 25434 6237 1 16 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.439 0.832 25434 6238 1 16 . 1 1 45 45 ASN H H 45 8.244 8.244 8.842 -0.598 25434 6239 1 16 . 1 1 46 46 ALA N N 46 126.039 126.039 128.159 -2.120 25434 6240 1 16 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.240 0.537 25434 6241 1 16 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.656 -0.883 25434 6242 1 16 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.466 0.689 25434 6243 1 16 . 1 1 46 46 ALA H H 46 8.974 8.974 8.210 0.764 25434 6244 1 16 . 1 1 47 47 GLN N N 47 116.850 116.850 117.570 -0.720 25434 6245 1 16 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.097 0.197 25434 6246 1 16 . 1 1 47 47 GLN CA C 47 58.628 58.628 57.912 0.716 25434 6247 1 16 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.909 -0.386 25434 6248 1 16 . 1 1 47 47 GLN H H 47 8.349 8.349 8.398 -0.049 25434 6249 1 16 . 1 1 48 48 SER N N 48 111.872 111.872 111.577 0.295 25434 6250 1 16 . 1 1 48 48 SER HA H 48 4.474 4.474 4.585 -0.111 25434 6251 1 16 . 1 1 48 48 SER CA C 48 57.580 57.580 58.522 -0.942 25434 6252 1 16 . 1 1 48 48 SER CB C 48 64.262 64.262 64.096 0.166 25434 6253 1 16 . 1 1 48 48 SER H H 48 7.544 7.544 7.617 -0.073 25434 6254 1 16 . 1 1 49 49 GLN N N 49 118.063 118.063 116.712 1.351 25434 6255 1 16 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.702 0.019 25434 6256 1 16 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.216 -0.041 25434 6257 1 16 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.869 -0.936 25434 6258 1 16 . 1 1 49 49 GLN H H 49 7.969 7.969 7.654 0.315 25434 6259 1 16 . 1 1 50 50 GLN N N 50 116.254 116.254 118.201 -1.947 25434 6260 1 16 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.488 0.331 25434 6261 1 16 . 1 1 50 50 GLN CA C 50 54.501 54.501 57.139 -2.638 25434 6262 1 16 . 1 1 50 50 GLN CB C 50 33.410 33.410 30.014 3.396 25434 6263 1 16 . 1 1 50 50 GLN H H 50 7.180 7.180 7.489 -0.309 25434 6264 1 16 . 1 1 51 51 TYR N N 51 121.463 121.463 120.217 1.246 25434 6265 1 16 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.605 0.075 25434 6266 1 16 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.721 0.449 25434 6267 1 16 . 1 1 51 51 TYR CB C 51 40.066 40.066 39.892 0.174 25434 6268 1 16 . 1 1 51 51 TYR H H 51 8.931 8.931 8.834 0.097 25434 6269 1 16 . 1 1 52 52 LEU N N 52 122.429 122.429 122.379 0.050 25434 6270 1 16 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.547 0.001 25434 6271 1 16 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.318 1.115 25434 6272 1 16 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.786 1.263 25434 6273 1 16 . 1 1 52 52 LEU H H 52 9.726 9.726 9.289 0.437 25434 6274 1 16 . 1 1 53 53 TYR N N 53 117.639 117.639 114.673 2.966 25434 6275 1 16 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.422 0.455 25434 6276 1 16 . 1 1 53 53 TYR CA C 53 55.717 55.717 56.278 -0.561 25434 6277 1 16 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.563 0.563 25434 6278 1 16 . 1 1 53 53 TYR H H 53 9.533 9.533 8.970 0.563 25434 6279 1 16 . 1 1 54 54 TRP N N 54 122.206 122.206 124.558 -2.352 25434 6280 1 16 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.446 0.060 25434 6281 1 16 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.424 0.389 25434 6282 1 16 . 1 1 54 54 TRP CB C 54 30.348 30.348 29.790 0.558 25434 6283 1 16 . 1 1 54 54 TRP H H 54 9.253 9.253 9.335 -0.082 25434 6284 1 16 . 1 1 55 55 ASP N N 55 128.978 128.978 128.983 -0.005 25434 6285 1 16 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.530 0.165 25434 6286 1 16 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.642 -0.758 25434 6287 1 16 . 1 1 55 55 ASP CB C 55 42.843 42.843 40.551 2.292 25434 6288 1 16 . 1 1 55 55 ASP H H 55 8.031 8.031 8.100 -0.069 25434 6289 1 16 . 1 1 56 56 GLY N N 56 111.521 111.521 112.254 -0.733 25434 6290 1 16 . 1 1 56 56 GLY CA C 56 46.775 46.775 45.468 1.307 25434 6291 1 16 . 1 1 56 56 GLY H H 56 8.548 8.548 8.064 0.484 25434 6292 1 16 . 1 1 57 57 GLU N N 57 120.202 120.202 121.232 -1.030 25434 6293 1 16 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.034 0.259 25434 6294 1 16 . 1 1 57 57 GLU CA C 57 58.318 58.318 59.083 -0.765 25434 6295 1 16 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.835 0.047 25434 6296 1 16 . 1 1 57 57 GLU H H 57 8.188 8.188 7.942 0.246 25434 6297 1 16 . 1 1 58 58 ARG N N 58 116.912 116.912 116.830 0.082 25434 6298 1 16 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.097 0.034 25434 6299 1 16 . 1 1 58 58 ARG CA C 58 56.442 56.442 56.254 0.188 25434 6300 1 16 . 1 1 58 58 ARG CB C 58 31.887 31.887 30.484 1.403 25434 6301 1 16 . 1 1 58 58 ARG H H 58 7.636 7.636 8.414 -0.778 25434 6302 1 16 . 1 1 59 59 ARG N N 59 116.563 116.563 116.810 -0.247 25434 6303 1 16 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.139 0.098 25434 6304 1 16 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.675 0.057 25434 6305 1 16 . 1 1 59 59 ARG CB C 59 26.634 26.634 26.827 -0.193 25434 6306 1 16 . 1 1 59 59 ARG H H 59 7.878 7.878 7.533 0.345 25434 6307 1 16 . 1 1 60 60 THR N N 60 109.170 109.170 110.594 -1.424 25434 6308 1 16 . 1 1 60 60 THR HA H 60 4.516 4.516 4.568 -0.052 25434 6309 1 16 . 1 1 60 60 THR CA C 60 60.050 60.050 59.452 0.598 25434 6310 1 16 . 1 1 60 60 THR CB C 60 69.758 69.758 71.044 -1.286 25434 6311 1 16 . 1 1 60 60 THR H H 60 6.591 6.591 7.590 -0.999 25434 6312 1 16 . 1 1 61 61 TYR N N 61 120.491 120.491 121.618 -1.127 25434 6313 1 16 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.290 -0.214 25434 6314 1 16 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.662 0.731 25434 6315 1 16 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.478 0.902 25434 6316 1 16 . 1 1 61 61 TYR H H 61 7.474 7.474 8.343 -0.869 25434 6317 1 16 . 1 1 62 62 VAL N N 62 123.115 123.115 119.672 3.443 25434 6318 1 16 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.688 -0.044 25434 6319 1 16 . 1 1 62 62 VAL CA C 62 58.610 58.610 58.086 0.524 25434 6320 1 16 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.102 0.315 25434 6321 1 16 . 1 1 62 62 VAL H H 62 9.176 9.176 8.520 0.656 25434 6322 1 16 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.601 0.163 25434 6323 1 16 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.332 1.309 25434 6324 1 16 . 1 1 63 63 PRO CB C 63 32.558 32.558 32.023 0.535 25434 6325 1 16 . 1 1 64 64 ALA N N 64 126.032 126.032 128.068 -2.036 25434 6326 1 16 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.668 -0.023 25434 6327 1 16 . 1 1 64 64 ALA CA C 64 52.126 52.126 53.462 -1.335 25434 6328 1 16 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.566 0.186 25434 6329 1 16 . 1 1 64 64 ALA H H 64 8.708 8.708 8.345 0.363 25434 6330 1 16 . 1 1 65 65 LEU N N 65 120.884 120.884 116.597 4.287 25434 6331 1 16 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.450 0.041 25434 6332 1 16 . 1 1 65 65 LEU CA C 65 55.656 55.656 55.658 -0.003 25434 6333 1 16 . 1 1 65 65 LEU CB C 65 42.638 42.638 42.868 -0.230 25434 6334 1 16 . 1 1 65 65 LEU H H 65 8.469 8.469 7.640 0.829 25434 6335 1 16 . 1 1 66 66 GLU N N 66 115.912 115.912 116.597 -0.685 25434 6336 1 16 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.427 0.119 25434 6337 1 16 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.571 -0.791 25434 6338 1 16 . 1 1 66 66 GLU CB C 66 33.027 33.027 31.269 1.758 25434 6339 1 16 . 1 1 66 66 GLU H H 66 8.328 8.328 8.285 0.043 25434 6340 1 16 . 1 1 67 67 GLN N N 67 120.380 120.380 118.255 2.125 25434 6341 1 16 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.037 0.445 25434 6342 1 16 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.921 -1.150 25434 6343 1 16 . 1 1 67 67 GLN CB C 67 29.740 29.740 28.529 1.211 25434 6344 1 16 . 1 1 67 67 GLN H H 67 8.478 8.478 8.488 -0.010 25434 6345 1 16 . 1 1 68 68 SER N N 68 116.287 116.287 112.499 3.788 25434 6346 1 16 . 1 1 68 68 SER HA H 68 4.575 4.575 4.128 0.447 25434 6347 1 16 . 1 1 68 68 SER CA C 68 58.309 58.309 58.528 -0.219 25434 6348 1 16 . 1 1 68 68 SER CB C 68 64.119 64.119 63.318 0.801 25434 6349 1 16 . 1 1 68 68 SER H H 68 8.370 8.370 8.619 -0.249 25434 6350 1 16 . 1 1 69 69 ALA N N 69 125.968 125.968 124.906 1.062 25434 6351 1 16 . 1 1 69 69 ALA HA H 69 4.443 4.443 3.943 0.500 25434 6352 1 16 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.825 0.157 25434 6353 1 16 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.282 1.083 25434 6354 1 16 . 1 1 69 69 ALA H H 69 8.533 8.533 8.936 -0.403 25434 6355 1 16 . 1 1 70 70 ASP N N 70 118.262 118.262 118.204 0.058 25434 6356 1 16 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.553 0.129 25434 6357 1 16 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.359 0.110 25434 6358 1 16 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.554 -0.175 25434 6359 1 16 . 1 1 70 70 ASP H H 70 8.300 8.300 8.346 -0.046 25434 6360 1 16 . 1 1 71 71 GLY N N 71 108.495 108.495 111.151 -2.656 25434 6361 1 16 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.873 -0.052 25434 6362 1 16 . 1 1 71 71 GLY H H 71 8.291 8.291 8.742 -0.451 25434 6363 1 16 . 1 1 72 72 HIS N N 72 118.240 118.240 119.397 -1.157 25434 6364 1 16 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.950 -0.183 25434 6365 1 16 . 1 1 72 72 HIS CA C 72 55.846 55.846 55.090 0.756 25434 6366 1 16 . 1 1 72 72 HIS CB C 72 29.363 29.363 30.180 -0.817 25434 6367 1 16 . 1 1 72 72 HIS H H 72 8.354 8.354 8.567 -0.213 25434 6368 1 16 . 1 1 73 73 LYS N N 73 121.591 121.591 118.703 2.888 25434 6369 1 16 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.654 -0.211 25434 6370 1 16 . 1 1 73 73 LYS CA C 73 56.601 56.601 54.907 1.694 25434 6371 1 16 . 1 1 73 73 LYS CB C 73 33.133 33.133 34.273 -1.140 25434 6372 1 16 . 1 1 73 73 LYS H H 73 8.457 8.457 7.577 0.880 25434 6373 1 16 . 1 1 74 74 GLU N N 74 122.169 122.169 120.033 2.136 25434 6374 1 16 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.169 0.325 25434 6375 1 16 . 1 1 74 74 GLU CA C 74 56.565 56.565 58.827 -2.262 25434 6376 1 16 . 1 1 74 74 GLU CB C 74 30.327 30.327 30.085 0.242 25434 6377 1 16 . 1 1 74 74 GLU H H 74 8.669 8.669 8.786 -0.117 25434 6378 1 16 . 1 1 75 75 THR N N 75 114.560 114.560 108.687 5.873 25434 6379 1 16 . 1 1 75 75 THR HA H 75 4.463 4.463 4.582 -0.119 25434 6380 1 16 . 1 1 75 75 THR CA C 75 61.998 61.998 62.382 -0.384 25434 6381 1 16 . 1 1 75 75 THR CB C 75 69.901 69.901 71.514 -1.613 25434 6382 1 16 . 1 1 75 75 THR H H 75 8.313 8.313 8.080 0.233 25434 6383 1 16 . 1 1 76 76 GLY N N 76 110.986 110.986 109.173 1.813 25434 6384 1 16 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.498 0.896 25434 6385 1 16 . 1 1 76 76 GLY H H 76 8.493 8.493 8.064 0.429 25434 6386 1 16 . 1 1 77 77 ALA N N 77 123.316 123.316 120.312 3.004 25434 6387 1 16 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.714 -0.080 25434 6388 1 16 . 1 1 77 77 ALA CA C 77 50.611 50.611 51.197 -0.586 25434 6389 1 16 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.499 -1.028 25434 6390 1 16 . 1 1 77 77 ALA H H 77 8.025 8.025 8.261 -0.236 25434 6391 1 16 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.682 0.046 25434 6392 1 16 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.059 0.910 25434 6393 1 16 . 1 1 79 79 SER N N 79 116.876 116.876 116.201 0.675 25434 6394 1 16 . 1 1 79 79 SER HA H 79 4.543 4.543 4.239 0.304 25434 6395 1 16 . 1 1 79 79 SER CA C 79 58.548 58.548 59.960 -1.412 25434 6396 1 16 . 1 1 79 79 SER CB C 79 63.972 63.972 63.162 0.810 25434 6397 1 16 . 1 1 79 79 SER H H 79 8.627 8.627 8.423 0.204 25434 6398 1 16 . 1 1 80 80 LYS N N 80 122.282 122.282 126.114 -3.832 25434 6399 1 16 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.330 0.067 25434 6400 1 16 . 1 1 80 80 LYS CA C 80 56.628 56.628 55.869 0.759 25434 6401 1 16 . 1 1 80 80 LYS CB C 80 33.268 33.268 32.951 0.317 25434 6402 1 16 . 1 1 80 80 LYS H H 80 8.359 8.359 8.458 -0.099 25434 6403 1 16 . 1 1 81 81 GLU N N 81 121.390 121.390 118.889 2.501 25434 6404 1 16 . 1 1 81 81 GLU HA H 81 4.387 4.387 3.958 0.429 25434 6405 1 16 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.203 -0.430 25434 6406 1 16 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.429 0.945 25434 6407 1 16 . 1 1 81 81 GLU H H 81 8.521 8.521 7.939 0.582 25434 6408 1 16 . 1 1 82 82 GLY N N 82 109.657 109.657 112.191 -2.534 25434 6409 1 16 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.253 0.480 25434 6410 1 16 . 1 1 82 82 GLY H H 82 8.491 8.491 9.017 -0.526 25434 6411 1 16 . 1 1 83 83 LYS N N 83 120.424 120.424 118.946 1.478 25434 6412 1 16 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.407 -0.012 25434 6413 1 16 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.758 1.142 25434 6414 1 16 . 1 1 83 83 LYS CB C 83 33.222 33.222 33.359 -0.137 25434 6415 1 16 . 1 1 83 83 LYS H H 83 8.237 8.237 8.114 0.123 25434 6416 1 16 . 1 1 84 84 GLU N N 84 120.758 120.758 120.104 0.654 25434 6417 1 16 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.160 0.218 25434 6418 1 16 . 1 1 84 84 GLU CA C 84 56.735 56.735 57.649 -0.914 25434 6419 1 16 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.450 1.153 25434 6420 1 16 . 1 1 84 84 GLU H H 84 8.571 8.571 8.169 0.402 25434 6421 1 16 . 1 1 85 85 LYS N N 85 122.155 122.155 123.138 -0.983 25434 6422 1 16 . 1 1 85 85 LYS HA H 85 4.411 4.411 3.894 0.517 25434 6423 1 16 . 1 1 85 85 LYS CA C 85 56.321 56.321 57.566 -1.245 25434 6424 1 16 . 1 1 85 85 LYS CB C 85 33.193 33.193 31.128 2.066 25434 6425 1 16 . 1 1 85 85 LYS H H 85 8.558 8.558 8.921 -0.363 25434 6426 1 16 . 1 1 86 86 LYS N N 86 122.185 122.185 114.322 7.863 25434 6427 1 16 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.852 0.520 25434 6428 1 16 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.879 -0.210 25434 6429 1 16 . 1 1 86 86 LYS CB C 86 33.268 33.268 29.135 4.133 25434 6430 1 16 . 1 1 86 86 LYS H H 86 8.397 8.397 7.856 0.541 25434 6431 1 16 . 1 1 87 87 GLU N N 87 124.443 124.443 118.994 5.449 25434 6432 1 16 . 1 1 87 87 GLU HA H 87 4.524 4.524 3.985 0.539 25434 6433 1 16 . 1 1 87 87 GLU CA C 87 58.257 58.257 56.939 1.318 25434 6434 1 16 . 1 1 87 87 GLU CB C 87 33.559 33.559 28.529 5.029 25434 6435 1 16 . 1 1 87 87 GLU H H 87 8.175 8.175 7.991 0.184 25434 6436 1 16 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.733 0.054 25434 6437 1 16 . 1 1 89 89 HIS CA C 89 55.754 55.754 55.099 0.655 25434 6438 1 16 . 1 1 89 89 HIS CB C 89 30.327 30.327 32.422 -2.095 25434 6439 1 16 . 1 1 90 90 LYS N N 90 122.178 122.178 123.474 -1.296 25434 6440 1 16 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.589 -0.192 25434 6441 1 16 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.132 0.465 25434 6442 1 16 . 1 1 90 90 LYS CB C 90 33.222 33.222 32.624 0.598 25434 6443 1 16 . 1 1 90 90 LYS H H 90 8.335 8.335 8.637 -0.302 25434 6444 1 16 . 1 1 91 91 THR N N 91 121.268 121.268 115.949 5.319 25434 6445 1 16 . 1 1 91 91 THR HA H 91 4.453 4.453 4.630 -0.177 25434 6446 1 16 . 1 1 91 91 THR CA C 91 61.956 61.956 61.672 0.284 25434 6447 1 16 . 1 1 91 91 THR CB C 91 69.916 69.916 70.453 -0.537 25434 6448 1 16 . 1 1 91 91 THR H H 91 8.047 8.047 8.246 -0.199 25434 6449 1 17 . 1 1 5 5 GLU N N 5 123.289 123.289 122.033 1.256 25434 6450 1 17 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.118 0.416 25434 6451 1 17 . 1 1 5 5 GLU CA C 5 63.240 63.240 57.297 5.943 25434 6452 1 17 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.898 2.327 25434 6453 1 17 . 1 1 5 5 GLU H H 5 8.538 8.538 8.988 -0.450 25434 6454 1 17 . 1 1 6 6 SER N N 6 115.506 115.506 112.966 2.540 25434 6455 1 17 . 1 1 6 6 SER HA H 6 4.552 4.552 4.214 0.338 25434 6456 1 17 . 1 1 6 6 SER CA C 6 58.231 58.231 58.756 -0.525 25434 6457 1 17 . 1 1 6 6 SER CB C 6 64.028 64.028 62.501 1.527 25434 6458 1 17 . 1 1 6 6 SER H H 6 8.435 8.435 8.121 0.314 25434 6459 1 17 . 1 1 7 7 TYR N N 7 121.104 121.104 120.515 0.589 25434 6460 1 17 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.945 -0.203 25434 6461 1 17 . 1 1 7 7 TYR CA C 7 57.611 57.611 56.881 0.730 25434 6462 1 17 . 1 1 7 7 TYR CB C 7 39.176 39.176 39.412 -0.236 25434 6463 1 17 . 1 1 7 7 TYR H H 7 8.137 8.137 7.724 0.413 25434 6464 1 17 . 1 1 8 8 SER N N 8 116.875 116.875 119.923 -3.048 25434 6465 1 17 . 1 1 8 8 SER HA H 8 4.539 4.539 4.376 0.163 25434 6466 1 17 . 1 1 8 8 SER CA C 8 58.327 58.327 58.261 0.066 25434 6467 1 17 . 1 1 8 8 SER CB C 8 63.958 63.958 64.032 -0.074 25434 6468 1 17 . 1 1 8 8 SER H H 8 8.364 8.364 8.979 -0.615 25434 6469 1 17 . 1 1 9 9 GLN N N 9 120.999 120.999 121.759 -0.760 25434 6470 1 17 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.332 0.111 25434 6471 1 17 . 1 1 9 9 GLN CA C 9 56.678 56.678 56.223 0.455 25434 6472 1 17 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.381 0.990 25434 6473 1 17 . 1 1 9 9 GLN H H 9 8.414 8.414 7.740 0.674 25434 6474 1 17 . 1 1 10 10 TYR N N 10 121.815 121.815 118.990 2.825 25434 6475 1 17 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.967 0.007 25434 6476 1 17 . 1 1 10 10 TYR CA C 10 56.383 56.383 56.788 -0.405 25434 6477 1 17 . 1 1 10 10 TYR CB C 10 40.009 40.009 38.714 1.295 25434 6478 1 17 . 1 1 10 10 TYR H H 10 8.549 8.549 8.601 -0.052 25434 6479 1 17 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.470 0.146 25434 6480 1 17 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.785 -0.786 25434 6481 1 17 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.289 -0.086 25434 6482 1 17 . 1 1 12 12 VAL N N 12 120.450 120.450 119.999 0.451 25434 6483 1 17 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.104 -0.304 25434 6484 1 17 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.690 0.767 25434 6485 1 17 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.237 1.014 25434 6486 1 17 . 1 1 12 12 VAL H H 12 8.074 8.074 8.273 -0.199 25434 6487 1 17 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.357 -0.339 25434 6488 1 17 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.421 0.759 25434 6489 1 17 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.305 0.327 25434 6490 1 17 . 1 1 14 14 ASP N N 14 120.579 120.579 120.166 0.413 25434 6491 1 17 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.423 0.288 25434 6492 1 17 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.440 -0.366 25434 6493 1 17 . 1 1 14 14 ASP CB C 14 41.050 41.050 42.942 -1.892 25434 6494 1 17 . 1 1 14 14 ASP H H 14 8.148 8.148 8.252 -0.104 25434 6495 1 17 . 1 1 15 15 VAL N N 15 120.884 120.884 122.182 -1.298 25434 6496 1 17 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.758 0.412 25434 6497 1 17 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.556 -0.787 25434 6498 1 17 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.315 -0.418 25434 6499 1 17 . 1 1 15 15 VAL H H 15 8.161 8.161 8.208 -0.047 25434 6500 1 17 . 1 1 16 16 SER N N 16 116.885 116.885 114.742 2.143 25434 6501 1 17 . 1 1 16 16 SER HA H 16 4.294 4.294 4.084 0.210 25434 6502 1 17 . 1 1 16 16 SER CA C 16 61.011 61.011 60.863 0.148 25434 6503 1 17 . 1 1 16 16 SER CB C 16 63.004 63.004 62.667 0.337 25434 6504 1 17 . 1 1 16 16 SER H H 16 8.139 8.139 7.832 0.307 25434 6505 1 17 . 1 1 17 17 THR N N 17 110.397 110.397 114.422 -4.025 25434 6506 1 17 . 1 1 17 17 THR HA H 17 4.558 4.558 4.254 0.304 25434 6507 1 17 . 1 1 17 17 THR CA C 17 61.987 61.987 62.176 -0.189 25434 6508 1 17 . 1 1 17 17 THR CB C 17 70.459 70.459 69.207 1.252 25434 6509 1 17 . 1 1 17 17 THR H H 17 7.549 7.549 7.754 -0.205 25434 6510 1 17 . 1 1 18 18 TYR N N 18 120.956 120.956 120.500 0.456 25434 6511 1 17 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.515 0.653 25434 6512 1 17 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.288 -2.465 25434 6513 1 17 . 1 1 18 18 TYR CB C 18 37.740 37.740 38.801 -1.061 25434 6514 1 17 . 1 1 18 18 TYR H H 18 7.365 7.365 7.377 -0.012 25434 6515 1 17 . 1 1 19 19 GLN N N 19 119.670 119.670 120.821 -1.151 25434 6516 1 17 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.664 0.388 25434 6517 1 17 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.818 -0.432 25434 6518 1 17 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.291 1.156 25434 6519 1 17 . 1 1 19 19 GLN H H 19 9.372 9.372 8.489 0.883 25434 6520 1 17 . 1 1 20 20 TYR N N 20 126.395 126.395 127.794 -1.399 25434 6521 1 17 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.258 -0.156 25434 6522 1 17 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.381 -0.007 25434 6523 1 17 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.098 -0.072 25434 6524 1 17 . 1 1 20 20 TYR H H 20 9.433 9.433 9.036 0.397 25434 6525 1 17 . 1 1 21 21 ASP N N 21 128.962 128.962 124.552 4.410 25434 6526 1 17 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.788 0.092 25434 6527 1 17 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.909 -0.576 25434 6528 1 17 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.328 0.004 25434 6529 1 17 . 1 1 21 21 ASP H H 21 8.128 8.128 8.153 -0.025 25434 6530 1 17 . 1 1 22 22 GLU N N 22 124.636 124.636 124.628 0.008 25434 6531 1 17 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.776 0.022 25434 6532 1 17 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.460 0.173 25434 6533 1 17 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.140 0.573 25434 6534 1 17 . 1 1 22 22 GLU H H 22 8.768 8.768 8.705 0.063 25434 6535 1 17 . 1 1 23 23 THR N N 23 112.402 112.402 114.292 -1.890 25434 6536 1 17 . 1 1 23 23 THR HA H 23 4.045 4.045 4.077 -0.032 25434 6537 1 17 . 1 1 23 23 THR CA C 23 65.526 65.526 64.338 1.188 25434 6538 1 17 . 1 1 23 23 THR CB C 23 68.434 68.434 69.144 -0.710 25434 6539 1 17 . 1 1 23 23 THR H H 23 8.031 8.031 8.012 0.019 25434 6540 1 17 . 1 1 24 24 SER N N 24 113.712 113.712 114.903 -1.191 25434 6541 1 17 . 1 1 24 24 SER HA H 24 4.327 4.327 4.291 0.036 25434 6542 1 17 . 1 1 24 24 SER CA C 24 59.046 59.046 59.053 -0.007 25434 6543 1 17 . 1 1 24 24 SER CB C 24 65.024 65.024 64.006 1.018 25434 6544 1 17 . 1 1 24 24 SER H H 24 7.503 7.503 7.949 -0.446 25434 6545 1 17 . 1 1 25 25 GLY N N 25 111.227 111.227 108.033 3.194 25434 6546 1 17 . 1 1 25 25 GLY CA C 25 45.627 45.627 44.927 0.700 25434 6547 1 17 . 1 1 25 25 GLY H H 25 8.304 8.304 8.065 0.239 25434 6548 1 17 . 1 1 26 26 TYR N N 26 117.907 117.907 118.176 -0.269 25434 6549 1 17 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.848 0.539 25434 6550 1 17 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.499 -2.493 25434 6551 1 17 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.732 -0.989 25434 6552 1 17 . 1 1 26 26 TYR H H 26 7.951 7.951 7.406 0.545 25434 6553 1 17 . 1 1 27 27 TYR N N 27 116.474 116.474 115.580 0.894 25434 6554 1 17 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.427 -0.069 25434 6555 1 17 . 1 1 27 27 TYR CA C 27 58.243 58.243 56.444 1.799 25434 6556 1 17 . 1 1 27 27 TYR CB C 27 41.412 41.412 41.949 -0.537 25434 6557 1 17 . 1 1 27 27 TYR H H 27 9.253 9.253 9.389 -0.136 25434 6558 1 17 . 1 1 28 28 TYR N N 28 122.756 122.756 121.819 0.937 25434 6559 1 17 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.428 0.350 25434 6560 1 17 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.567 1.416 25434 6561 1 17 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.750 0.245 25434 6562 1 17 . 1 1 28 28 TYR H H 28 9.686 9.686 9.441 0.245 25434 6563 1 17 . 1 1 29 29 ASP N N 29 125.994 125.994 126.714 -0.720 25434 6564 1 17 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.034 0.718 25434 6565 1 17 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.614 -0.411 25434 6566 1 17 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.381 0.784 25434 6567 1 17 . 1 1 29 29 ASP H H 29 7.954 7.954 8.262 -0.308 25434 6568 1 17 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.773 0.297 25434 6569 1 17 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.168 -0.560 25434 6570 1 17 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.727 0.865 25434 6571 1 17 . 1 1 31 31 GLN N N 31 115.244 115.244 117.545 -2.301 25434 6572 1 17 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.159 0.073 25434 6573 1 17 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.885 0.632 25434 6574 1 17 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.566 -0.261 25434 6575 1 17 . 1 1 31 31 GLN H H 31 7.989 7.989 8.490 -0.501 25434 6576 1 17 . 1 1 32 32 THR N N 32 104.641 104.641 106.550 -1.909 25434 6577 1 17 . 1 1 32 32 THR HA H 32 4.332 4.332 4.493 -0.161 25434 6578 1 17 . 1 1 32 32 THR CA C 32 61.768 61.768 62.056 -0.288 25434 6579 1 17 . 1 1 32 32 THR CB C 32 71.212 71.212 71.826 -0.615 25434 6580 1 17 . 1 1 32 32 THR H H 32 6.765 6.765 7.650 -0.885 25434 6581 1 17 . 1 1 33 33 GLY N N 33 111.318 111.318 110.923 0.395 25434 6582 1 17 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.378 0.149 25434 6583 1 17 . 1 1 33 33 GLY H H 33 8.439 8.439 8.328 0.111 25434 6584 1 17 . 1 1 34 34 LEU N N 34 118.537 118.537 118.681 -0.144 25434 6585 1 17 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.689 -0.088 25434 6586 1 17 . 1 1 34 34 LEU CA C 34 54.021 54.021 53.379 0.642 25434 6587 1 17 . 1 1 34 34 LEU CB C 34 44.529 44.529 41.479 3.050 25434 6588 1 17 . 1 1 34 34 LEU H H 34 7.422 7.422 7.444 -0.022 25434 6589 1 17 . 1 1 35 35 TYR N N 35 116.166 116.166 116.948 -0.782 25434 6590 1 17 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.276 0.246 25434 6591 1 17 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.479 -0.233 25434 6592 1 17 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.074 -1.198 25434 6593 1 17 . 1 1 35 35 TYR H H 35 8.692 8.692 8.996 -0.304 25434 6594 1 17 . 1 1 36 36 TYR N N 36 121.442 121.442 119.586 1.856 25434 6595 1 17 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.586 0.370 25434 6596 1 17 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.041 -0.063 25434 6597 1 17 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.562 0.152 25434 6598 1 17 . 1 1 36 36 TYR H H 36 9.745 9.745 9.515 0.230 25434 6599 1 17 . 1 1 37 37 ASP N N 37 127.129 127.129 123.865 3.264 25434 6600 1 17 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.550 0.691 25434 6601 1 17 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.180 0.102 25434 6602 1 17 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.099 -1.240 25434 6603 1 17 . 1 1 37 37 ASP H H 37 8.029 8.029 7.619 0.410 25434 6604 1 17 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.313 -0.234 25434 6605 1 17 . 1 1 38 38 PRO CA C 38 63.729 63.729 63.994 -0.265 25434 6606 1 17 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.479 0.009 25434 6607 1 17 . 1 1 39 39 ASN N N 39 115.838 115.838 116.547 -0.709 25434 6608 1 17 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.523 0.155 25434 6609 1 17 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.837 0.882 25434 6610 1 17 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.629 -0.642 25434 6611 1 17 . 1 1 39 39 ASN H H 39 8.232 8.232 8.064 0.168 25434 6612 1 17 . 1 1 40 40 SER N N 40 112.476 112.476 114.783 -2.307 25434 6613 1 17 . 1 1 40 40 SER HA H 40 4.346 4.346 4.585 -0.239 25434 6614 1 17 . 1 1 40 40 SER CA C 40 58.832 58.832 57.431 1.401 25434 6615 1 17 . 1 1 40 40 SER CB C 40 64.576 64.576 63.831 0.745 25434 6616 1 17 . 1 1 40 40 SER H H 40 7.371 7.371 8.160 -0.789 25434 6617 1 17 . 1 1 41 41 GLN N N 41 114.329 114.329 122.515 -8.186 25434 6618 1 17 . 1 1 41 41 GLN HA H 41 3.780 3.780 4.106 -0.326 25434 6619 1 17 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.224 1.938 25434 6620 1 17 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.681 -2.704 25434 6621 1 17 . 1 1 41 41 GLN H H 41 8.203 8.203 8.346 -0.143 25434 6622 1 17 . 1 1 42 42 TYR N N 42 115.202 115.202 118.987 -3.785 25434 6623 1 17 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.928 0.593 25434 6624 1 17 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.422 -0.786 25434 6625 1 17 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.554 3.827 25434 6626 1 17 . 1 1 42 42 TYR H H 42 7.621 7.621 7.359 0.262 25434 6627 1 17 . 1 1 43 43 TYR N N 43 118.608 118.608 122.888 -4.280 25434 6628 1 17 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.622 1.073 25434 6629 1 17 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.318 -1.997 25434 6630 1 17 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.545 2.313 25434 6631 1 17 . 1 1 43 43 TYR H H 43 9.724 9.724 8.928 0.796 25434 6632 1 17 . 1 1 44 44 TYR N N 44 121.727 121.727 122.479 -0.752 25434 6633 1 17 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.919 0.263 25434 6634 1 17 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.078 0.470 25434 6635 1 17 . 1 1 44 44 TYR CB C 44 42.263 42.263 40.401 1.862 25434 6636 1 17 . 1 1 44 44 TYR H H 44 9.594 9.594 9.437 0.157 25434 6637 1 17 . 1 1 45 45 ASN N N 45 125.423 125.423 127.188 -1.765 25434 6638 1 17 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.702 0.303 25434 6639 1 17 . 1 1 45 45 ASN CA C 45 50.920 50.920 51.074 -0.154 25434 6640 1 17 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.225 1.046 25434 6641 1 17 . 1 1 45 45 ASN H H 45 8.244 8.244 8.876 -0.632 25434 6642 1 17 . 1 1 46 46 ALA N N 46 126.039 126.039 127.417 -1.378 25434 6643 1 17 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.570 0.207 25434 6644 1 17 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.024 -0.251 25434 6645 1 17 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.562 0.593 25434 6646 1 17 . 1 1 46 46 ALA H H 46 8.974 8.974 7.943 1.031 25434 6647 1 17 . 1 1 47 47 GLN N N 47 116.850 116.850 118.387 -1.537 25434 6648 1 17 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.080 0.214 25434 6649 1 17 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.250 0.378 25434 6650 1 17 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.835 -0.312 25434 6651 1 17 . 1 1 47 47 GLN H H 47 8.349 8.349 8.120 0.229 25434 6652 1 17 . 1 1 48 48 SER N N 48 111.872 111.872 111.570 0.302 25434 6653 1 17 . 1 1 48 48 SER HA H 48 4.474 4.474 4.558 -0.083 25434 6654 1 17 . 1 1 48 48 SER CA C 48 57.580 57.580 58.440 -0.860 25434 6655 1 17 . 1 1 48 48 SER CB C 48 64.262 64.262 63.235 1.027 25434 6656 1 17 . 1 1 48 48 SER H H 48 7.544 7.544 8.133 -0.589 25434 6657 1 17 . 1 1 49 49 GLN N N 49 118.063 118.063 115.990 2.073 25434 6658 1 17 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.753 -0.032 25434 6659 1 17 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.259 -0.084 25434 6660 1 17 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.783 -0.850 25434 6661 1 17 . 1 1 49 49 GLN H H 49 7.969 7.969 7.669 0.300 25434 6662 1 17 . 1 1 50 50 GLN N N 50 116.254 116.254 116.855 -0.601 25434 6663 1 17 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.629 0.190 25434 6664 1 17 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.124 0.377 25434 6665 1 17 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.602 1.808 25434 6666 1 17 . 1 1 50 50 GLN H H 50 7.180 7.180 7.434 -0.254 25434 6667 1 17 . 1 1 51 51 TYR N N 51 121.463 121.463 120.375 1.088 25434 6668 1 17 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.696 -0.016 25434 6669 1 17 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.944 1.226 25434 6670 1 17 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.645 -0.579 25434 6671 1 17 . 1 1 51 51 TYR H H 51 8.931 8.931 8.684 0.247 25434 6672 1 17 . 1 1 52 52 LEU N N 52 122.429 122.429 121.932 0.497 25434 6673 1 17 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.543 0.005 25434 6674 1 17 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.421 1.012 25434 6675 1 17 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.669 1.379 25434 6676 1 17 . 1 1 52 52 LEU H H 52 9.726 9.726 9.041 0.685 25434 6677 1 17 . 1 1 53 53 TYR N N 53 117.639 117.639 114.150 3.489 25434 6678 1 17 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.472 0.405 25434 6679 1 17 . 1 1 53 53 TYR CA C 53 55.717 55.717 56.038 -0.321 25434 6680 1 17 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.637 0.490 25434 6681 1 17 . 1 1 53 53 TYR H H 53 9.533 9.533 9.179 0.354 25434 6682 1 17 . 1 1 54 54 TRP N N 54 122.206 122.206 124.207 -2.001 25434 6683 1 17 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.393 0.113 25434 6684 1 17 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.884 -0.071 25434 6685 1 17 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.225 0.123 25434 6686 1 17 . 1 1 54 54 TRP H H 54 9.253 9.253 9.353 -0.100 25434 6687 1 17 . 1 1 55 55 ASP N N 55 128.978 128.978 128.750 0.228 25434 6688 1 17 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.610 0.085 25434 6689 1 17 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.081 -0.198 25434 6690 1 17 . 1 1 55 55 ASP CB C 55 42.843 42.843 41.058 1.785 25434 6691 1 17 . 1 1 55 55 ASP H H 55 8.031 8.031 8.120 -0.089 25434 6692 1 17 . 1 1 56 56 GLY N N 56 111.521 111.521 111.852 -0.331 25434 6693 1 17 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.133 0.642 25434 6694 1 17 . 1 1 56 56 GLY H H 56 8.548 8.548 8.168 0.380 25434 6695 1 17 . 1 1 57 57 GLU N N 57 120.202 120.202 119.922 0.280 25434 6696 1 17 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.038 0.255 25434 6697 1 17 . 1 1 57 57 GLU CA C 57 58.318 58.318 57.969 0.349 25434 6698 1 17 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.885 -0.002 25434 6699 1 17 . 1 1 57 57 GLU H H 57 8.188 8.188 8.260 -0.072 25434 6700 1 17 . 1 1 58 58 ARG N N 58 116.912 116.912 115.514 1.398 25434 6701 1 17 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.402 -0.271 25434 6702 1 17 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.107 1.335 25434 6703 1 17 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.453 0.434 25434 6704 1 17 . 1 1 58 58 ARG H H 58 7.636 7.636 7.258 0.378 25434 6705 1 17 . 1 1 59 59 ARG N N 59 116.563 116.563 117.905 -1.342 25434 6706 1 17 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.468 -0.231 25434 6707 1 17 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.951 -0.219 25434 6708 1 17 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.517 -0.882 25434 6709 1 17 . 1 1 59 59 ARG H H 59 7.878 7.878 7.568 0.310 25434 6710 1 17 . 1 1 60 60 THR N N 60 109.170 109.170 109.776 -0.606 25434 6711 1 17 . 1 1 60 60 THR HA H 60 4.516 4.516 4.482 0.034 25434 6712 1 17 . 1 1 60 60 THR CA C 60 60.050 60.050 59.586 0.464 25434 6713 1 17 . 1 1 60 60 THR CB C 60 69.758 69.758 71.212 -1.454 25434 6714 1 17 . 1 1 60 60 THR H H 60 6.591 6.591 7.090 -0.499 25434 6715 1 17 . 1 1 61 61 TYR N N 61 120.491 120.491 120.220 0.271 25434 6716 1 17 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.231 -0.156 25434 6717 1 17 . 1 1 61 61 TYR CA C 61 57.393 57.393 57.128 0.265 25434 6718 1 17 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.768 0.613 25434 6719 1 17 . 1 1 61 61 TYR H H 61 7.474 7.474 8.050 -0.576 25434 6720 1 17 . 1 1 62 62 VAL N N 62 123.115 123.115 117.722 5.393 25434 6721 1 17 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.654 -0.010 25434 6722 1 17 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.593 1.017 25434 6723 1 17 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.171 0.247 25434 6724 1 17 . 1 1 62 62 VAL H H 62 9.176 9.176 8.714 0.462 25434 6725 1 17 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.912 -0.148 25434 6726 1 17 . 1 1 63 63 PRO CA C 63 63.641 63.641 61.993 1.648 25434 6727 1 17 . 1 1 63 63 PRO CB C 63 32.558 32.558 32.200 0.358 25434 6728 1 17 . 1 1 64 64 ALA N N 64 126.032 126.032 126.391 -0.359 25434 6729 1 17 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.630 0.015 25434 6730 1 17 . 1 1 64 64 ALA CA C 64 52.126 52.126 51.778 0.348 25434 6731 1 17 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.194 0.558 25434 6732 1 17 . 1 1 64 64 ALA H H 64 8.708 8.708 8.311 0.397 25434 6733 1 17 . 1 1 65 65 LEU N N 65 120.884 120.884 117.079 3.805 25434 6734 1 17 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.319 0.172 25434 6735 1 17 . 1 1 65 65 LEU CA C 65 55.656 55.656 54.891 0.765 25434 6736 1 17 . 1 1 65 65 LEU CB C 65 42.638 42.638 42.279 0.359 25434 6737 1 17 . 1 1 65 65 LEU H H 65 8.469 8.469 7.492 0.977 25434 6738 1 17 . 1 1 66 66 GLU N N 66 115.912 115.912 115.647 0.265 25434 6739 1 17 . 1 1 66 66 GLU HA H 66 4.546 4.546 3.794 0.752 25434 6740 1 17 . 1 1 66 66 GLU CA C 66 55.780 55.780 58.611 -2.831 25434 6741 1 17 . 1 1 66 66 GLU CB C 66 33.027 33.027 28.884 4.143 25434 6742 1 17 . 1 1 66 66 GLU H H 66 8.328 8.328 8.969 -0.641 25434 6743 1 17 . 1 1 67 67 GLN N N 67 120.380 120.380 118.080 2.300 25434 6744 1 17 . 1 1 67 67 GLN HA H 67 4.482 4.482 3.971 0.511 25434 6745 1 17 . 1 1 67 67 GLN CA C 67 55.771 55.771 57.098 -1.327 25434 6746 1 17 . 1 1 67 67 GLN CB C 67 29.740 29.740 28.640 1.100 25434 6747 1 17 . 1 1 67 67 GLN H H 67 8.478 8.478 8.190 0.288 25434 6748 1 17 . 1 1 68 68 SER N N 68 116.287 116.287 111.736 4.551 25434 6749 1 17 . 1 1 68 68 SER HA H 68 4.575 4.575 4.064 0.511 25434 6750 1 17 . 1 1 68 68 SER CA C 68 58.309 58.309 58.963 -0.654 25434 6751 1 17 . 1 1 68 68 SER CB C 68 64.119 64.119 62.974 1.145 25434 6752 1 17 . 1 1 68 68 SER H H 68 8.370 8.370 8.776 -0.406 25434 6753 1 17 . 1 1 69 69 ALA N N 69 125.968 125.968 122.558 3.410 25434 6754 1 17 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.018 0.425 25434 6755 1 17 . 1 1 69 69 ALA CA C 69 52.982 52.982 53.267 -0.285 25434 6756 1 17 . 1 1 69 69 ALA CB C 69 19.365 19.365 17.862 1.503 25434 6757 1 17 . 1 1 69 69 ALA H H 69 8.533 8.533 7.900 0.633 25434 6758 1 17 . 1 1 70 70 ASP N N 70 118.262 118.262 116.751 1.511 25434 6759 1 17 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.641 0.041 25434 6760 1 17 . 1 1 70 70 ASP CA C 70 54.469 54.469 53.735 0.734 25434 6761 1 17 . 1 1 70 70 ASP CB C 70 41.379 41.379 42.219 -0.840 25434 6762 1 17 . 1 1 70 70 ASP H H 70 8.300 8.300 7.637 0.663 25434 6763 1 17 . 1 1 71 71 GLY N N 71 108.495 108.495 110.434 -1.939 25434 6764 1 17 . 1 1 71 71 GLY CA C 71 45.822 45.822 46.179 -0.357 25434 6765 1 17 . 1 1 71 71 GLY H H 71 8.291 8.291 8.627 -0.336 25434 6766 1 17 . 1 1 72 72 HIS N N 72 118.240 118.240 119.477 -1.237 25434 6767 1 17 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.794 -0.027 25434 6768 1 17 . 1 1 72 72 HIS CA C 72 55.846 55.846 55.300 0.546 25434 6769 1 17 . 1 1 72 72 HIS CB C 72 29.363 29.363 31.668 -2.305 25434 6770 1 17 . 1 1 72 72 HIS H H 72 8.354 8.354 8.008 0.346 25434 6771 1 17 . 1 1 73 73 LYS N N 73 121.591 121.591 120.378 1.213 25434 6772 1 17 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.669 -0.226 25434 6773 1 17 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.695 0.906 25434 6774 1 17 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.989 -0.856 25434 6775 1 17 . 1 1 73 73 LYS H H 73 8.457 8.457 7.758 0.699 25434 6776 1 17 . 1 1 74 74 GLU N N 74 122.169 122.169 123.325 -1.156 25434 6777 1 17 . 1 1 74 74 GLU HA H 74 4.494 4.494 3.927 0.567 25434 6778 1 17 . 1 1 74 74 GLU CA C 74 56.565 56.565 58.869 -2.304 25434 6779 1 17 . 1 1 74 74 GLU CB C 74 30.327 30.327 29.209 1.118 25434 6780 1 17 . 1 1 74 74 GLU H H 74 8.669 8.669 9.325 -0.656 25434 6781 1 17 . 1 1 75 75 THR N N 75 114.560 114.560 110.723 3.837 25434 6782 1 17 . 1 1 75 75 THR HA H 75 4.463 4.463 4.151 0.312 25434 6783 1 17 . 1 1 75 75 THR CA C 75 61.998 61.998 63.895 -1.897 25434 6784 1 17 . 1 1 75 75 THR CB C 75 69.901 69.901 68.642 1.258 25434 6785 1 17 . 1 1 75 75 THR H H 75 8.313 8.313 7.943 0.370 25434 6786 1 17 . 1 1 76 76 GLY N N 76 110.986 110.986 106.146 4.840 25434 6787 1 17 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.886 0.508 25434 6788 1 17 . 1 1 76 76 GLY H H 76 8.493 8.493 7.601 0.892 25434 6789 1 17 . 1 1 77 77 ALA N N 77 123.316 123.316 125.358 -2.042 25434 6790 1 17 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.720 -0.086 25434 6791 1 17 . 1 1 77 77 ALA CA C 77 50.611 50.611 49.489 1.122 25434 6792 1 17 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.958 -1.487 25434 6793 1 17 . 1 1 77 77 ALA H H 77 8.025 8.025 7.981 0.044 25434 6794 1 17 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.390 0.338 25434 6795 1 17 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.534 -0.565 25434 6796 1 17 . 1 1 79 79 SER N N 79 116.876 116.876 119.029 -2.153 25434 6797 1 17 . 1 1 79 79 SER HA H 79 4.543 4.543 4.752 -0.209 25434 6798 1 17 . 1 1 79 79 SER CA C 79 58.548 58.548 58.017 0.531 25434 6799 1 17 . 1 1 79 79 SER CB C 79 63.972 63.972 64.467 -0.495 25434 6800 1 17 . 1 1 79 79 SER H H 79 8.627 8.627 8.276 0.351 25434 6801 1 17 . 1 1 80 80 LYS N N 80 122.282 122.282 126.540 -4.258 25434 6802 1 17 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.520 -0.123 25434 6803 1 17 . 1 1 80 80 LYS CA C 80 56.628 56.628 55.888 0.740 25434 6804 1 17 . 1 1 80 80 LYS CB C 80 33.268 33.268 32.778 0.490 25434 6805 1 17 . 1 1 80 80 LYS H H 80 8.359 8.359 8.583 -0.224 25434 6806 1 17 . 1 1 81 81 GLU N N 81 121.390 121.390 120.582 0.808 25434 6807 1 17 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.130 0.257 25434 6808 1 17 . 1 1 81 81 GLU CA C 81 56.773 56.773 57.612 -0.839 25434 6809 1 17 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.359 2.015 25434 6810 1 17 . 1 1 81 81 GLU H H 81 8.521 8.521 8.459 0.062 25434 6811 1 17 . 1 1 82 82 GLY N N 82 109.657 109.657 113.560 -3.903 25434 6812 1 17 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.363 0.370 25434 6813 1 17 . 1 1 82 82 GLY H H 82 8.491 8.491 8.483 0.008 25434 6814 1 17 . 1 1 83 83 LYS N N 83 120.424 120.424 115.392 5.032 25434 6815 1 17 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.316 0.079 25434 6816 1 17 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.567 1.333 25434 6817 1 17 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.825 0.397 25434 6818 1 17 . 1 1 83 83 LYS H H 83 8.237 8.237 8.177 0.060 25434 6819 1 17 . 1 1 84 84 GLU N N 84 120.758 120.758 118.881 1.877 25434 6820 1 17 . 1 1 84 84 GLU HA H 84 4.378 4.378 5.073 -0.695 25434 6821 1 17 . 1 1 84 84 GLU CA C 84 56.735 56.735 54.991 1.744 25434 6822 1 17 . 1 1 84 84 GLU CB C 84 30.602 30.602 32.406 -1.804 25434 6823 1 17 . 1 1 84 84 GLU H H 84 8.571 8.571 8.071 0.500 25434 6824 1 17 . 1 1 85 85 LYS N N 85 122.155 122.155 119.945 2.210 25434 6825 1 17 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.245 0.166 25434 6826 1 17 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.127 1.194 25434 6827 1 17 . 1 1 85 85 LYS CB C 85 33.193 33.193 30.142 3.051 25434 6828 1 17 . 1 1 85 85 LYS H H 85 8.558 8.558 8.740 -0.182 25434 6829 1 17 . 1 1 86 86 LYS N N 86 122.185 122.185 115.977 6.208 25434 6830 1 17 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.914 0.458 25434 6831 1 17 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.269 -0.600 25434 6832 1 17 . 1 1 86 86 LYS CB C 86 33.268 33.268 30.542 2.726 25434 6833 1 17 . 1 1 86 86 LYS H H 86 8.397 8.397 7.830 0.567 25434 6834 1 17 . 1 1 87 87 GLU N N 87 124.443 124.443 118.606 5.837 25434 6835 1 17 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.365 0.159 25434 6836 1 17 . 1 1 87 87 GLU CA C 87 58.257 58.257 56.239 2.018 25434 6837 1 17 . 1 1 87 87 GLU CB C 87 33.559 33.559 28.403 5.156 25434 6838 1 17 . 1 1 87 87 GLU H H 87 8.175 8.175 8.420 -0.245 25434 6839 1 17 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.634 0.153 25434 6840 1 17 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.504 -0.750 25434 6841 1 17 . 1 1 89 89 HIS CB C 89 30.327 30.327 28.202 2.125 25434 6842 1 17 . 1 1 90 90 LYS N N 90 122.178 122.178 124.092 -1.914 25434 6843 1 17 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.764 -0.367 25434 6844 1 17 . 1 1 90 90 LYS CA C 90 56.597 56.597 55.723 0.874 25434 6845 1 17 . 1 1 90 90 LYS CB C 90 33.222 33.222 34.684 -1.462 25434 6846 1 17 . 1 1 90 90 LYS H H 90 8.335 8.335 8.473 -0.138 25434 6847 1 17 . 1 1 91 91 THR N N 91 121.268 121.268 114.462 6.806 25434 6848 1 17 . 1 1 91 91 THR HA H 91 4.453 4.453 4.744 -0.291 25434 6849 1 17 . 1 1 91 91 THR CA C 91 61.956 61.956 61.079 0.877 25434 6850 1 17 . 1 1 91 91 THR CB C 91 69.916 69.916 70.317 -0.401 25434 6851 1 17 . 1 1 91 91 THR H H 91 8.047 8.047 8.362 -0.315 25434 6852 1 18 . 1 1 5 5 GLU N N 5 123.289 123.289 124.113 -0.824 25434 6853 1 18 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.362 0.172 25434 6854 1 18 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.454 6.786 25434 6855 1 18 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.409 1.816 25434 6856 1 18 . 1 1 5 5 GLU H H 5 8.538 8.538 9.051 -0.513 25434 6857 1 18 . 1 1 6 6 SER N N 6 115.506 115.506 114.425 1.081 25434 6858 1 18 . 1 1 6 6 SER HA H 6 4.552 4.552 4.255 0.297 25434 6859 1 18 . 1 1 6 6 SER CA C 6 58.231 58.231 59.321 -1.090 25434 6860 1 18 . 1 1 6 6 SER CB C 6 64.028 64.028 62.520 1.508 25434 6861 1 18 . 1 1 6 6 SER H H 6 8.435 8.435 8.491 -0.056 25434 6862 1 18 . 1 1 7 7 TYR N N 7 121.104 121.104 121.743 -0.639 25434 6863 1 18 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.642 0.100 25434 6864 1 18 . 1 1 7 7 TYR CA C 7 57.611 57.611 57.898 -0.287 25434 6865 1 18 . 1 1 7 7 TYR CB C 7 39.176 39.176 40.567 -1.391 25434 6866 1 18 . 1 1 7 7 TYR H H 7 8.137 8.137 8.031 0.106 25434 6867 1 18 . 1 1 8 8 SER N N 8 116.875 116.875 115.907 0.968 25434 6868 1 18 . 1 1 8 8 SER HA H 8 4.539 4.539 4.277 0.262 25434 6869 1 18 . 1 1 8 8 SER CA C 8 58.327 58.327 58.854 -0.527 25434 6870 1 18 . 1 1 8 8 SER CB C 8 63.958 63.958 62.650 1.308 25434 6871 1 18 . 1 1 8 8 SER H H 8 8.364 8.364 8.706 -0.342 25434 6872 1 18 . 1 1 9 9 GLN N N 9 120.999 120.999 118.838 2.161 25434 6873 1 18 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.185 0.258 25434 6874 1 18 . 1 1 9 9 GLN CA C 9 56.678 56.678 57.808 -1.130 25434 6875 1 18 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.393 0.979 25434 6876 1 18 . 1 1 9 9 GLN H H 9 8.414 8.414 8.531 -0.117 25434 6877 1 18 . 1 1 10 10 TYR N N 10 121.815 121.815 117.769 4.046 25434 6878 1 18 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.897 0.077 25434 6879 1 18 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.507 0.876 25434 6880 1 18 . 1 1 10 10 TYR CB C 10 40.009 40.009 40.352 -0.343 25434 6881 1 18 . 1 1 10 10 TYR H H 10 8.549 8.549 7.766 0.783 25434 6882 1 18 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.502 0.114 25434 6883 1 18 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.654 -0.654 25434 6884 1 18 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.578 -0.375 25434 6885 1 18 . 1 1 12 12 VAL N N 12 120.450 120.450 118.650 1.800 25434 6886 1 18 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.311 -0.511 25434 6887 1 18 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.814 0.643 25434 6888 1 18 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.891 0.360 25434 6889 1 18 . 1 1 12 12 VAL H H 12 8.074 8.074 8.252 -0.178 25434 6890 1 18 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.669 -0.651 25434 6891 1 18 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.277 0.903 25434 6892 1 18 . 1 1 13 13 PRO CB C 13 32.632 32.632 33.244 -0.612 25434 6893 1 18 . 1 1 14 14 ASP N N 14 120.579 120.579 119.691 0.888 25434 6894 1 18 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.587 0.124 25434 6895 1 18 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.763 -0.689 25434 6896 1 18 . 1 1 14 14 ASP CB C 14 41.050 41.050 44.351 -3.301 25434 6897 1 18 . 1 1 14 14 ASP H H 14 8.148 8.148 8.322 -0.174 25434 6898 1 18 . 1 1 15 15 VAL N N 15 120.884 120.884 125.000 -4.116 25434 6899 1 18 . 1 1 15 15 VAL HA H 15 2.170 2.170 2.279 -0.109 25434 6900 1 18 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.381 -0.612 25434 6901 1 18 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.587 -0.690 25434 6902 1 18 . 1 1 15 15 VAL H H 15 8.161 8.161 8.340 -0.179 25434 6903 1 18 . 1 1 16 16 SER N N 16 116.885 116.885 114.743 2.142 25434 6904 1 18 . 1 1 16 16 SER HA H 16 4.294 4.294 4.253 0.041 25434 6905 1 18 . 1 1 16 16 SER CA C 16 61.011 61.011 60.374 0.637 25434 6906 1 18 . 1 1 16 16 SER CB C 16 63.004 63.004 62.353 0.651 25434 6907 1 18 . 1 1 16 16 SER H H 16 8.139 8.139 8.574 -0.435 25434 6908 1 18 . 1 1 17 17 THR N N 17 110.397 110.397 114.987 -4.590 25434 6909 1 18 . 1 1 17 17 THR HA H 17 4.558 4.558 4.439 0.119 25434 6910 1 18 . 1 1 17 17 THR CA C 17 61.987 61.987 62.073 -0.086 25434 6911 1 18 . 1 1 17 17 THR CB C 17 70.459 70.459 70.134 0.325 25434 6912 1 18 . 1 1 17 17 THR H H 17 7.549 7.549 7.243 0.306 25434 6913 1 18 . 1 1 18 18 TYR N N 18 120.956 120.956 120.795 0.161 25434 6914 1 18 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.467 0.701 25434 6915 1 18 . 1 1 18 18 TYR CA C 18 54.823 54.823 55.999 -1.176 25434 6916 1 18 . 1 1 18 18 TYR CB C 18 37.740 37.740 38.841 -1.101 25434 6917 1 18 . 1 1 18 18 TYR H H 18 7.365 7.365 7.614 -0.249 25434 6918 1 18 . 1 1 19 19 GLN N N 19 119.670 119.670 121.568 -1.898 25434 6919 1 18 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.631 0.421 25434 6920 1 18 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.400 -0.014 25434 6921 1 18 . 1 1 19 19 GLN CB C 19 31.447 31.447 29.580 1.867 25434 6922 1 18 . 1 1 19 19 GLN H H 19 9.372 9.372 8.674 0.698 25434 6923 1 18 . 1 1 20 20 TYR N N 20 126.395 126.395 128.673 -2.278 25434 6924 1 18 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.115 -0.013 25434 6925 1 18 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.628 -0.254 25434 6926 1 18 . 1 1 20 20 TYR CB C 20 39.026 39.026 38.917 0.109 25434 6927 1 18 . 1 1 20 20 TYR H H 20 9.433 9.433 8.932 0.501 25434 6928 1 18 . 1 1 21 21 ASP N N 21 128.962 128.962 126.765 2.197 25434 6929 1 18 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.851 0.029 25434 6930 1 18 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.856 -0.523 25434 6931 1 18 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.662 0.670 25434 6932 1 18 . 1 1 21 21 ASP H H 21 8.128 8.128 7.976 0.152 25434 6933 1 18 . 1 1 22 22 GLU N N 22 124.636 124.636 122.865 1.771 25434 6934 1 18 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.899 -0.101 25434 6935 1 18 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.957 -0.324 25434 6936 1 18 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.011 0.701 25434 6937 1 18 . 1 1 22 22 GLU H H 22 8.768 8.768 8.582 0.186 25434 6938 1 18 . 1 1 23 23 THR N N 23 112.402 112.402 111.849 0.553 25434 6939 1 18 . 1 1 23 23 THR HA H 23 4.045 4.045 4.207 -0.162 25434 6940 1 18 . 1 1 23 23 THR CA C 23 65.526 65.526 63.760 1.766 25434 6941 1 18 . 1 1 23 23 THR CB C 23 68.434 68.434 68.838 -0.404 25434 6942 1 18 . 1 1 23 23 THR H H 23 8.031 8.031 7.989 0.042 25434 6943 1 18 . 1 1 24 24 SER N N 24 113.712 113.712 114.766 -1.054 25434 6944 1 18 . 1 1 24 24 SER HA H 24 4.327 4.327 4.622 -0.295 25434 6945 1 18 . 1 1 24 24 SER CA C 24 59.046 59.046 58.665 0.381 25434 6946 1 18 . 1 1 24 24 SER CB C 24 65.024 65.024 65.692 -0.668 25434 6947 1 18 . 1 1 24 24 SER H H 24 7.503 7.503 7.580 -0.077 25434 6948 1 18 . 1 1 25 25 GLY N N 25 111.227 111.227 109.431 1.796 25434 6949 1 18 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.832 -0.205 25434 6950 1 18 . 1 1 25 25 GLY H H 25 8.304 8.304 8.213 0.091 25434 6951 1 18 . 1 1 26 26 TYR N N 26 117.907 117.907 118.586 -0.679 25434 6952 1 18 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.940 0.447 25434 6953 1 18 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.021 -2.015 25434 6954 1 18 . 1 1 26 26 TYR CB C 26 40.743 40.743 42.300 -1.557 25434 6955 1 18 . 1 1 26 26 TYR H H 26 7.951 7.951 7.375 0.576 25434 6956 1 18 . 1 1 27 27 TYR N N 27 116.474 116.474 117.314 -0.840 25434 6957 1 18 . 1 1 27 27 TYR HA H 27 5.358 5.358 4.812 0.546 25434 6958 1 18 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.996 0.247 25434 6959 1 18 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.212 1.200 25434 6960 1 18 . 1 1 27 27 TYR H H 27 9.253 9.253 9.259 -0.006 25434 6961 1 18 . 1 1 28 28 TYR N N 28 122.756 122.756 125.060 -2.304 25434 6962 1 18 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.054 0.724 25434 6963 1 18 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.609 1.374 25434 6964 1 18 . 1 1 28 28 TYR CB C 28 41.995 41.995 40.842 1.153 25434 6965 1 18 . 1 1 28 28 TYR H H 28 9.686 9.686 8.983 0.703 25434 6966 1 18 . 1 1 29 29 ASP N N 29 125.994 125.994 125.728 0.266 25434 6967 1 18 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.218 0.534 25434 6968 1 18 . 1 1 29 29 ASP CA C 29 49.202 49.202 50.258 -1.056 25434 6969 1 18 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.616 1.549 25434 6970 1 18 . 1 1 29 29 ASP H H 29 7.954 7.954 7.853 0.101 25434 6971 1 18 . 1 1 30 30 PRO HA H 30 4.070 4.070 4.020 0.050 25434 6972 1 18 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.194 -0.585 25434 6973 1 18 . 1 1 30 30 PRO CB C 30 32.592 32.592 32.155 0.437 25434 6974 1 18 . 1 1 31 31 GLN N N 31 115.244 115.244 117.663 -2.419 25434 6975 1 18 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.171 0.061 25434 6976 1 18 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.922 0.595 25434 6977 1 18 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.079 0.226 25434 6978 1 18 . 1 1 31 31 GLN H H 31 7.989 7.989 8.189 -0.200 25434 6979 1 18 . 1 1 32 32 THR N N 32 104.641 104.641 107.504 -2.863 25434 6980 1 18 . 1 1 32 32 THR HA H 32 4.332 4.332 4.443 -0.111 25434 6981 1 18 . 1 1 32 32 THR CA C 32 61.768 61.768 61.930 -0.162 25434 6982 1 18 . 1 1 32 32 THR CB C 32 71.212 71.212 71.191 0.021 25434 6983 1 18 . 1 1 32 32 THR H H 32 6.765 6.765 7.823 -1.058 25434 6984 1 18 . 1 1 33 33 GLY N N 33 111.318 111.318 110.303 1.015 25434 6985 1 18 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.236 0.291 25434 6986 1 18 . 1 1 33 33 GLY H H 33 8.439 8.439 8.180 0.259 25434 6987 1 18 . 1 1 34 34 LEU N N 34 118.537 118.537 118.990 -0.453 25434 6988 1 18 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.891 -0.290 25434 6989 1 18 . 1 1 34 34 LEU CA C 34 54.021 54.021 53.518 0.503 25434 6990 1 18 . 1 1 34 34 LEU CB C 34 44.529 44.529 42.722 1.806 25434 6991 1 18 . 1 1 34 34 LEU H H 34 7.422 7.422 7.520 -0.098 25434 6992 1 18 . 1 1 35 35 TYR N N 35 116.166 116.166 116.102 0.064 25434 6993 1 18 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.116 0.406 25434 6994 1 18 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.198 0.048 25434 6995 1 18 . 1 1 35 35 TYR CB C 35 40.876 40.876 41.389 -0.513 25434 6996 1 18 . 1 1 35 35 TYR H H 35 8.692 8.692 8.474 0.218 25434 6997 1 18 . 1 1 36 36 TYR N N 36 121.442 121.442 124.297 -2.855 25434 6998 1 18 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.455 0.501 25434 6999 1 18 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.975 -0.998 25434 7000 1 18 . 1 1 36 36 TYR CB C 36 42.714 42.714 41.993 0.721 25434 7001 1 18 . 1 1 36 36 TYR H H 36 9.745 9.745 9.317 0.428 25434 7002 1 18 . 1 1 37 37 ASP N N 37 127.129 127.129 122.569 4.560 25434 7003 1 18 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.984 0.257 25434 7004 1 18 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.647 -0.365 25434 7005 1 18 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.144 -1.285 25434 7006 1 18 . 1 1 37 37 ASP H H 37 8.029 8.029 7.307 0.722 25434 7007 1 18 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.283 -0.204 25434 7008 1 18 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.585 -0.857 25434 7009 1 18 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.228 0.260 25434 7010 1 18 . 1 1 39 39 ASN N N 39 115.838 115.838 116.350 -0.512 25434 7011 1 18 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.665 0.013 25434 7012 1 18 . 1 1 39 39 ASN CA C 39 55.719 55.719 53.995 1.724 25434 7013 1 18 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.941 -0.954 25434 7014 1 18 . 1 1 39 39 ASN H H 39 8.232 8.232 8.379 -0.147 25434 7015 1 18 . 1 1 40 40 SER N N 40 112.476 112.476 114.780 -2.304 25434 7016 1 18 . 1 1 40 40 SER HA H 40 4.346 4.346 4.542 -0.196 25434 7017 1 18 . 1 1 40 40 SER CA C 40 58.832 58.832 57.437 1.395 25434 7018 1 18 . 1 1 40 40 SER CB C 40 64.576 64.576 63.826 0.750 25434 7019 1 18 . 1 1 40 40 SER H H 40 7.371 7.371 7.567 -0.196 25434 7020 1 18 . 1 1 41 41 GLN N N 41 114.329 114.329 120.865 -6.536 25434 7021 1 18 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.511 0.269 25434 7022 1 18 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.477 1.685 25434 7023 1 18 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.482 -2.505 25434 7024 1 18 . 1 1 41 41 GLN H H 41 8.203 8.203 8.327 -0.124 25434 7025 1 18 . 1 1 42 42 TYR N N 42 115.202 115.202 118.067 -2.865 25434 7026 1 18 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.846 0.675 25434 7027 1 18 . 1 1 42 42 TYR CA C 42 56.636 56.636 56.528 0.108 25434 7028 1 18 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.113 3.268 25434 7029 1 18 . 1 1 42 42 TYR H H 42 7.621 7.621 7.283 0.338 25434 7030 1 18 . 1 1 43 43 TYR N N 43 118.608 118.608 124.742 -6.134 25434 7031 1 18 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.630 1.065 25434 7032 1 18 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.167 -1.846 25434 7033 1 18 . 1 1 43 43 TYR CB C 43 41.858 41.858 38.229 3.629 25434 7034 1 18 . 1 1 43 43 TYR H H 43 9.724 9.724 8.709 1.015 25434 7035 1 18 . 1 1 44 44 TYR N N 44 121.727 121.727 128.192 -6.465 25434 7036 1 18 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.568 0.614 25434 7037 1 18 . 1 1 44 44 TYR CA C 44 56.548 56.548 55.810 0.738 25434 7038 1 18 . 1 1 44 44 TYR CB C 44 42.263 42.263 38.386 3.877 25434 7039 1 18 . 1 1 44 44 TYR H H 44 9.594 9.594 9.529 0.065 25434 7040 1 18 . 1 1 45 45 ASN N N 45 125.423 125.423 127.951 -2.528 25434 7041 1 18 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.659 0.346 25434 7042 1 18 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.991 -0.071 25434 7043 1 18 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.116 1.155 25434 7044 1 18 . 1 1 45 45 ASN H H 45 8.244 8.244 9.017 -0.773 25434 7045 1 18 . 1 1 46 46 ALA N N 46 126.039 126.039 126.973 -0.934 25434 7046 1 18 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.223 0.554 25434 7047 1 18 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.386 -0.613 25434 7048 1 18 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.098 1.057 25434 7049 1 18 . 1 1 46 46 ALA H H 46 8.974 8.974 7.618 1.356 25434 7050 1 18 . 1 1 47 47 GLN N N 47 116.850 116.850 119.031 -2.181 25434 7051 1 18 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.014 0.280 25434 7052 1 18 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.356 0.272 25434 7053 1 18 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.702 -0.179 25434 7054 1 18 . 1 1 47 47 GLN H H 47 8.349 8.349 8.530 -0.181 25434 7055 1 18 . 1 1 48 48 SER N N 48 111.872 111.872 111.112 0.760 25434 7056 1 18 . 1 1 48 48 SER HA H 48 4.474 4.474 4.535 -0.061 25434 7057 1 18 . 1 1 48 48 SER CA C 48 57.580 57.580 57.618 -0.038 25434 7058 1 18 . 1 1 48 48 SER CB C 48 64.262 64.262 63.525 0.737 25434 7059 1 18 . 1 1 48 48 SER H H 48 7.544 7.544 7.802 -0.258 25434 7060 1 18 . 1 1 49 49 GLN N N 49 118.063 118.063 118.759 -0.696 25434 7061 1 18 . 1 1 49 49 GLN HA H 49 3.721 3.721 4.217 -0.496 25434 7062 1 18 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.067 0.108 25434 7063 1 18 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.661 -0.728 25434 7064 1 18 . 1 1 49 49 GLN H H 49 7.969 7.969 7.531 0.438 25434 7065 1 18 . 1 1 50 50 GLN N N 50 116.254 116.254 116.081 0.173 25434 7066 1 18 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.760 0.059 25434 7067 1 18 . 1 1 50 50 GLN CA C 50 54.501 54.501 53.767 0.734 25434 7068 1 18 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.798 1.612 25434 7069 1 18 . 1 1 50 50 GLN H H 50 7.180 7.180 7.673 -0.493 25434 7070 1 18 . 1 1 51 51 TYR N N 51 121.463 121.463 120.733 0.730 25434 7071 1 18 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.528 0.152 25434 7072 1 18 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.566 1.605 25434 7073 1 18 . 1 1 51 51 TYR CB C 51 40.066 40.066 39.993 0.073 25434 7074 1 18 . 1 1 51 51 TYR H H 51 8.931 8.931 8.709 0.222 25434 7075 1 18 . 1 1 52 52 LEU N N 52 122.429 122.429 123.351 -0.922 25434 7076 1 18 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.544 0.004 25434 7077 1 18 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.297 1.136 25434 7078 1 18 . 1 1 52 52 LEU CB C 52 48.049 48.049 45.933 2.116 25434 7079 1 18 . 1 1 52 52 LEU H H 52 9.726 9.726 9.322 0.404 25434 7080 1 18 . 1 1 53 53 TYR N N 53 117.639 117.639 114.349 3.290 25434 7081 1 18 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.370 0.507 25434 7082 1 18 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.776 -0.059 25434 7083 1 18 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.681 0.446 25434 7084 1 18 . 1 1 53 53 TYR H H 53 9.533 9.533 9.112 0.421 25434 7085 1 18 . 1 1 54 54 TRP N N 54 122.206 122.206 122.379 -0.173 25434 7086 1 18 . 1 1 54 54 TRP HA H 54 4.506 4.506 3.512 0.994 25434 7087 1 18 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.732 0.081 25434 7088 1 18 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.054 0.294 25434 7089 1 18 . 1 1 54 54 TRP H H 54 9.253 9.253 9.075 0.178 25434 7090 1 18 . 1 1 55 55 ASP N N 55 128.978 128.978 127.299 1.679 25434 7091 1 18 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.434 0.261 25434 7092 1 18 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.483 -0.600 25434 7093 1 18 . 1 1 55 55 ASP CB C 55 42.843 42.843 41.908 0.935 25434 7094 1 18 . 1 1 55 55 ASP H H 55 8.031 8.031 7.336 0.695 25434 7095 1 18 . 1 1 56 56 GLY N N 56 111.521 111.521 110.390 1.131 25434 7096 1 18 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.264 0.511 25434 7097 1 18 . 1 1 56 56 GLY H H 56 8.548 8.548 8.089 0.459 25434 7098 1 18 . 1 1 57 57 GLU N N 57 120.202 120.202 119.472 0.730 25434 7099 1 18 . 1 1 57 57 GLU HA H 57 4.293 4.293 3.983 0.310 25434 7100 1 18 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.101 0.217 25434 7101 1 18 . 1 1 57 57 GLU CB C 57 29.883 29.883 28.374 1.509 25434 7102 1 18 . 1 1 57 57 GLU H H 57 8.188 8.188 8.151 0.037 25434 7103 1 18 . 1 1 58 58 ARG N N 58 116.912 116.912 118.526 -1.614 25434 7104 1 18 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.031 0.100 25434 7105 1 18 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.927 0.515 25434 7106 1 18 . 1 1 58 58 ARG CB C 58 31.887 31.887 29.882 2.005 25434 7107 1 18 . 1 1 58 58 ARG H H 58 7.636 7.636 8.002 -0.366 25434 7108 1 18 . 1 1 59 59 ARG N N 59 116.563 116.563 115.769 0.794 25434 7109 1 18 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.587 -0.350 25434 7110 1 18 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.692 0.040 25434 7111 1 18 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.654 -1.020 25434 7112 1 18 . 1 1 59 59 ARG H H 59 7.878 7.878 7.413 0.465 25434 7113 1 18 . 1 1 60 60 THR N N 60 109.170 109.170 111.037 -1.867 25434 7114 1 18 . 1 1 60 60 THR HA H 60 4.516 4.516 4.590 -0.074 25434 7115 1 18 . 1 1 60 60 THR CA C 60 60.050 60.050 59.843 0.207 25434 7116 1 18 . 1 1 60 60 THR CB C 60 69.758 69.758 71.676 -1.918 25434 7117 1 18 . 1 1 60 60 THR H H 60 6.591 6.591 7.177 -0.586 25434 7118 1 18 . 1 1 61 61 TYR N N 61 120.491 120.491 122.119 -1.628 25434 7119 1 18 . 1 1 61 61 TYR HA H 61 5.075 5.075 4.880 0.195 25434 7120 1 18 . 1 1 61 61 TYR CA C 61 57.393 57.393 58.264 -0.871 25434 7121 1 18 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.128 1.253 25434 7122 1 18 . 1 1 61 61 TYR H H 61 7.474 7.474 8.116 -0.642 25434 7123 1 18 . 1 1 62 62 VAL N N 62 123.115 123.115 119.088 4.027 25434 7124 1 18 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.660 -0.016 25434 7125 1 18 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.828 0.783 25434 7126 1 18 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.398 1.020 25434 7127 1 18 . 1 1 62 62 VAL H H 62 9.176 9.176 8.603 0.573 25434 7128 1 18 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.720 0.044 25434 7129 1 18 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.439 1.202 25434 7130 1 18 . 1 1 63 63 PRO CB C 63 32.558 32.558 32.228 0.330 25434 7131 1 18 . 1 1 64 64 ALA N N 64 126.032 126.032 126.982 -0.950 25434 7132 1 18 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.628 0.017 25434 7133 1 18 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.391 -0.265 25434 7134 1 18 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.344 0.408 25434 7135 1 18 . 1 1 64 64 ALA H H 64 8.708 8.708 8.767 -0.059 25434 7136 1 18 . 1 1 65 65 LEU N N 65 120.884 120.884 115.807 5.077 25434 7137 1 18 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.094 0.397 25434 7138 1 18 . 1 1 65 65 LEU CA C 65 55.656 55.656 57.086 -1.429 25434 7139 1 18 . 1 1 65 65 LEU CB C 65 42.638 42.638 40.812 1.826 25434 7140 1 18 . 1 1 65 65 LEU H H 65 8.469 8.469 8.062 0.407 25434 7141 1 18 . 1 1 66 66 GLU N N 66 115.912 115.912 118.474 -2.562 25434 7142 1 18 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.171 0.375 25434 7143 1 18 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.249 -0.469 25434 7144 1 18 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.553 2.474 25434 7145 1 18 . 1 1 66 66 GLU H H 66 8.328 8.328 7.551 0.777 25434 7146 1 18 . 1 1 67 67 GLN N N 67 120.380 120.380 116.580 3.800 25434 7147 1 18 . 1 1 67 67 GLN HA H 67 4.482 4.482 3.962 0.520 25434 7148 1 18 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.942 -1.171 25434 7149 1 18 . 1 1 67 67 GLN CB C 67 29.740 29.740 28.229 1.511 25434 7150 1 18 . 1 1 67 67 GLN H H 67 8.478 8.478 8.522 -0.044 25434 7151 1 18 . 1 1 68 68 SER N N 68 116.287 116.287 113.077 3.210 25434 7152 1 18 . 1 1 68 68 SER HA H 68 4.575 4.575 4.543 0.032 25434 7153 1 18 . 1 1 68 68 SER CA C 68 58.309 58.309 58.368 -0.059 25434 7154 1 18 . 1 1 68 68 SER CB C 68 64.119 64.119 64.399 -0.280 25434 7155 1 18 . 1 1 68 68 SER H H 68 8.370 8.370 7.705 0.665 25434 7156 1 18 . 1 1 69 69 ALA N N 69 125.968 125.968 128.934 -2.966 25434 7157 1 18 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.450 -0.007 25434 7158 1 18 . 1 1 69 69 ALA CA C 69 52.982 52.982 51.535 1.447 25434 7159 1 18 . 1 1 69 69 ALA CB C 69 19.365 19.365 17.868 1.497 25434 7160 1 18 . 1 1 69 69 ALA H H 69 8.533 8.533 8.530 0.003 25434 7161 1 18 . 1 1 70 70 ASP N N 70 118.262 118.262 121.804 -3.542 25434 7162 1 18 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.689 -0.007 25434 7163 1 18 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.244 0.225 25434 7164 1 18 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.567 -0.188 25434 7165 1 18 . 1 1 70 70 ASP H H 70 8.300 8.300 7.984 0.316 25434 7166 1 18 . 1 1 71 71 GLY N N 71 108.495 108.495 108.133 0.362 25434 7167 1 18 . 1 1 71 71 GLY CA C 71 45.822 45.822 44.841 0.981 25434 7168 1 18 . 1 1 71 71 GLY H H 71 8.291 8.291 8.241 0.050 25434 7169 1 18 . 1 1 72 72 HIS N N 72 118.240 118.240 117.037 1.203 25434 7170 1 18 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.123 0.644 25434 7171 1 18 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.847 -1.001 25434 7172 1 18 . 1 1 72 72 HIS CB C 72 29.363 29.363 28.235 1.128 25434 7173 1 18 . 1 1 72 72 HIS H H 72 8.354 8.354 8.198 0.156 25434 7174 1 18 . 1 1 73 73 LYS N N 73 121.591 121.591 117.267 4.324 25434 7175 1 18 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.601 -0.158 25434 7176 1 18 . 1 1 73 73 LYS CA C 73 56.601 56.601 54.984 1.617 25434 7177 1 18 . 1 1 73 73 LYS CB C 73 33.133 33.133 34.342 -1.209 25434 7178 1 18 . 1 1 73 73 LYS H H 73 8.457 8.457 7.702 0.755 25434 7179 1 18 . 1 1 74 74 GLU N N 74 122.169 122.169 120.577 1.592 25434 7180 1 18 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.368 0.126 25434 7181 1 18 . 1 1 74 74 GLU CA C 74 56.565 56.565 56.500 0.065 25434 7182 1 18 . 1 1 74 74 GLU CB C 74 30.327 30.327 30.343 -0.016 25434 7183 1 18 . 1 1 74 74 GLU H H 74 8.669 8.669 8.655 0.014 25434 7184 1 18 . 1 1 75 75 THR N N 75 114.560 114.560 113.194 1.366 25434 7185 1 18 . 1 1 75 75 THR HA H 75 4.463 4.463 4.140 0.323 25434 7186 1 18 . 1 1 75 75 THR CA C 75 61.998 61.998 64.137 -2.139 25434 7187 1 18 . 1 1 75 75 THR CB C 75 69.901 69.901 69.238 0.663 25434 7188 1 18 . 1 1 75 75 THR H H 75 8.313 8.313 8.409 -0.096 25434 7189 1 18 . 1 1 76 76 GLY N N 76 110.986 110.986 107.396 3.590 25434 7190 1 18 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.279 1.115 25434 7191 1 18 . 1 1 76 76 GLY H H 76 8.493 8.493 7.965 0.528 25434 7192 1 18 . 1 1 77 77 ALA N N 77 123.316 123.316 121.870 1.446 25434 7193 1 18 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.183 0.451 25434 7194 1 18 . 1 1 77 77 ALA CA C 77 50.611 50.611 51.865 -1.254 25434 7195 1 18 . 1 1 77 77 ALA CB C 77 18.471 18.471 18.233 0.238 25434 7196 1 18 . 1 1 77 77 ALA H H 77 8.025 8.025 8.000 0.025 25434 7197 1 18 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.621 0.107 25434 7198 1 18 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.618 0.351 25434 7199 1 18 . 1 1 79 79 SER N N 79 116.876 116.876 114.673 2.203 25434 7200 1 18 . 1 1 79 79 SER HA H 79 4.543 4.543 4.635 -0.092 25434 7201 1 18 . 1 1 79 79 SER CA C 79 58.548 58.548 57.282 1.266 25434 7202 1 18 . 1 1 79 79 SER CB C 79 63.972 63.972 65.556 -1.584 25434 7203 1 18 . 1 1 79 79 SER H H 79 8.627 8.627 8.095 0.532 25434 7204 1 18 . 1 1 80 80 LYS N N 80 122.282 122.282 117.679 4.603 25434 7205 1 18 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.136 0.261 25434 7206 1 18 . 1 1 80 80 LYS CA C 80 56.628 56.628 57.871 -1.243 25434 7207 1 18 . 1 1 80 80 LYS CB C 80 33.268 33.268 31.490 1.778 25434 7208 1 18 . 1 1 80 80 LYS H H 80 8.359 8.359 8.630 -0.271 25434 7209 1 18 . 1 1 81 81 GLU N N 81 121.390 121.390 118.401 2.989 25434 7210 1 18 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.417 -0.030 25434 7211 1 18 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.134 0.639 25434 7212 1 18 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.021 0.353 25434 7213 1 18 . 1 1 81 81 GLU H H 81 8.521 8.521 7.858 0.663 25434 7214 1 18 . 1 1 82 82 GLY N N 82 109.657 109.657 108.943 0.714 25434 7215 1 18 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.839 -0.106 25434 7216 1 18 . 1 1 82 82 GLY H H 82 8.491 8.491 8.469 0.022 25434 7217 1 18 . 1 1 83 83 LYS N N 83 120.424 120.424 118.369 2.055 25434 7218 1 18 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.451 -0.056 25434 7219 1 18 . 1 1 83 83 LYS CA C 83 56.900 56.900 56.089 0.811 25434 7220 1 18 . 1 1 83 83 LYS CB C 83 33.222 33.222 33.587 -0.365 25434 7221 1 18 . 1 1 83 83 LYS H H 83 8.237 8.237 8.182 0.055 25434 7222 1 18 . 1 1 84 84 GLU N N 84 120.758 120.758 118.952 1.806 25434 7223 1 18 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.496 -0.118 25434 7224 1 18 . 1 1 84 84 GLU CA C 84 56.735 56.735 55.909 0.826 25434 7225 1 18 . 1 1 84 84 GLU CB C 84 30.602 30.602 30.439 0.163 25434 7226 1 18 . 1 1 84 84 GLU H H 84 8.571 8.571 7.816 0.755 25434 7227 1 18 . 1 1 85 85 LYS N N 85 122.155 122.155 119.564 2.591 25434 7228 1 18 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.135 0.276 25434 7229 1 18 . 1 1 85 85 LYS CA C 85 56.321 56.321 56.763 -0.442 25434 7230 1 18 . 1 1 85 85 LYS CB C 85 33.193 33.193 30.073 3.120 25434 7231 1 18 . 1 1 85 85 LYS H H 85 8.558 8.558 8.724 -0.166 25434 7232 1 18 . 1 1 86 86 LYS N N 86 122.185 122.185 115.160 7.025 25434 7233 1 18 . 1 1 86 86 LYS HA H 86 4.372 4.372 3.911 0.461 25434 7234 1 18 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.666 -0.997 25434 7235 1 18 . 1 1 86 86 LYS CB C 86 33.268 33.268 29.879 3.389 25434 7236 1 18 . 1 1 86 86 LYS H H 86 8.397 8.397 8.150 0.247 25434 7237 1 18 . 1 1 87 87 GLU N N 87 124.443 124.443 120.037 4.406 25434 7238 1 18 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.105 0.419 25434 7239 1 18 . 1 1 87 87 GLU CA C 87 58.257 58.257 58.303 -0.046 25434 7240 1 18 . 1 1 87 87 GLU CB C 87 33.559 33.559 30.721 2.838 25434 7241 1 18 . 1 1 87 87 GLU H H 87 8.175 8.175 8.615 -0.440 25434 7242 1 18 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.862 -0.075 25434 7243 1 18 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.392 -0.638 25434 7244 1 18 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.367 -0.040 25434 7245 1 18 . 1 1 90 90 LYS N N 90 122.178 122.178 127.613 -5.435 25434 7246 1 18 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.359 0.038 25434 7247 1 18 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.082 0.515 25434 7248 1 18 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.127 0.095 25434 7249 1 18 . 1 1 90 90 LYS H H 90 8.335 8.335 8.213 0.122 25434 7250 1 18 . 1 1 91 91 THR N N 91 121.268 121.268 111.888 9.380 25434 7251 1 18 . 1 1 91 91 THR HA H 91 4.453 4.453 4.434 0.019 25434 7252 1 18 . 1 1 91 91 THR CA C 91 61.956 61.956 61.621 0.335 25434 7253 1 18 . 1 1 91 91 THR CB C 91 69.916 69.916 69.101 0.815 25434 7254 1 18 . 1 1 91 91 THR H H 91 8.047 8.047 7.406 0.641 25434 7255 1 19 . 1 1 5 5 GLU N N 5 123.289 123.289 123.335 -0.046 25434 7256 1 19 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.682 -0.148 25434 7257 1 19 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.444 6.796 25434 7258 1 19 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.876 2.349 25434 7259 1 19 . 1 1 5 5 GLU H H 5 8.538 8.538 8.685 -0.147 25434 7260 1 19 . 1 1 6 6 SER N N 6 115.506 115.506 114.441 1.065 25434 7261 1 19 . 1 1 6 6 SER HA H 6 4.552 4.552 4.546 0.006 25434 7262 1 19 . 1 1 6 6 SER CA C 6 58.231 58.231 58.535 -0.304 25434 7263 1 19 . 1 1 6 6 SER CB C 6 64.028 64.028 63.758 0.270 25434 7264 1 19 . 1 1 6 6 SER H H 6 8.435 8.435 8.280 0.155 25434 7265 1 19 . 1 1 7 7 TYR N N 7 121.104 121.104 123.813 -2.709 25434 7266 1 19 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.621 0.121 25434 7267 1 19 . 1 1 7 7 TYR CA C 7 57.611 57.611 57.671 -0.060 25434 7268 1 19 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.344 0.832 25434 7269 1 19 . 1 1 7 7 TYR H H 7 8.137 8.137 8.041 0.096 25434 7270 1 19 . 1 1 8 8 SER N N 8 116.875 116.875 122.778 -5.903 25434 7271 1 19 . 1 1 8 8 SER HA H 8 4.539 4.539 4.439 0.100 25434 7272 1 19 . 1 1 8 8 SER CA C 8 58.327 58.327 57.915 0.412 25434 7273 1 19 . 1 1 8 8 SER CB C 8 63.958 63.958 63.894 0.064 25434 7274 1 19 . 1 1 8 8 SER H H 8 8.364 8.364 8.447 -0.083 25434 7275 1 19 . 1 1 9 9 GLN N N 9 120.999 120.999 122.356 -1.357 25434 7276 1 19 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.186 0.257 25434 7277 1 19 . 1 1 9 9 GLN CA C 9 56.678 56.678 57.226 -0.548 25434 7278 1 19 . 1 1 9 9 GLN CB C 9 30.372 30.372 28.676 1.696 25434 7279 1 19 . 1 1 9 9 GLN H H 9 8.414 8.414 8.549 -0.135 25434 7280 1 19 . 1 1 10 10 TYR N N 10 121.815 121.815 120.591 1.224 25434 7281 1 19 . 1 1 10 10 TYR HA H 10 4.974 4.974 5.071 -0.097 25434 7282 1 19 . 1 1 10 10 TYR CA C 10 56.383 56.383 55.291 1.092 25434 7283 1 19 . 1 1 10 10 TYR CB C 10 40.009 40.009 39.878 0.131 25434 7284 1 19 . 1 1 10 10 TYR H H 10 8.549 8.549 7.656 0.893 25434 7285 1 19 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.518 0.098 25434 7286 1 19 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.592 -0.593 25434 7287 1 19 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.949 -0.746 25434 7288 1 19 . 1 1 12 12 VAL N N 12 120.450 120.450 119.159 1.291 25434 7289 1 19 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.231 -0.431 25434 7290 1 19 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.219 0.238 25434 7291 1 19 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.907 0.344 25434 7292 1 19 . 1 1 12 12 VAL H H 12 8.074 8.074 8.296 -0.222 25434 7293 1 19 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.422 -0.404 25434 7294 1 19 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.735 0.445 25434 7295 1 19 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.834 -0.202 25434 7296 1 19 . 1 1 14 14 ASP N N 14 120.579 120.579 118.032 2.547 25434 7297 1 19 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.486 0.225 25434 7298 1 19 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.931 -0.857 25434 7299 1 19 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.319 -2.269 25434 7300 1 19 . 1 1 14 14 ASP H H 14 8.148 8.148 8.053 0.095 25434 7301 1 19 . 1 1 15 15 VAL N N 15 120.884 120.884 124.480 -3.596 25434 7302 1 19 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.750 0.420 25434 7303 1 19 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.788 -1.020 25434 7304 1 19 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.240 -0.343 25434 7305 1 19 . 1 1 15 15 VAL H H 15 8.161 8.161 8.342 -0.181 25434 7306 1 19 . 1 1 16 16 SER N N 16 116.885 116.885 116.311 0.574 25434 7307 1 19 . 1 1 16 16 SER HA H 16 4.294 4.294 4.152 0.142 25434 7308 1 19 . 1 1 16 16 SER CA C 16 61.011 61.011 61.156 -0.145 25434 7309 1 19 . 1 1 16 16 SER CB C 16 63.004 63.004 63.131 -0.127 25434 7310 1 19 . 1 1 16 16 SER H H 16 8.139 8.139 8.627 -0.488 25434 7311 1 19 . 1 1 17 17 THR N N 17 110.397 110.397 113.191 -2.794 25434 7312 1 19 . 1 1 17 17 THR HA H 17 4.558 4.558 4.446 0.112 25434 7313 1 19 . 1 1 17 17 THR CA C 17 61.987 61.987 61.560 0.427 25434 7314 1 19 . 1 1 17 17 THR CB C 17 70.459 70.459 69.362 1.097 25434 7315 1 19 . 1 1 17 17 THR H H 17 7.549 7.549 7.303 0.246 25434 7316 1 19 . 1 1 18 18 TYR N N 18 120.956 120.956 121.549 -0.593 25434 7317 1 19 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.579 0.589 25434 7318 1 19 . 1 1 18 18 TYR CA C 18 54.823 54.823 57.050 -2.227 25434 7319 1 19 . 1 1 18 18 TYR CB C 18 37.740 37.740 38.979 -1.239 25434 7320 1 19 . 1 1 18 18 TYR H H 18 7.365 7.365 7.594 -0.229 25434 7321 1 19 . 1 1 19 19 GLN N N 19 119.670 119.670 121.152 -1.482 25434 7322 1 19 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.596 0.456 25434 7323 1 19 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.757 -0.371 25434 7324 1 19 . 1 1 19 19 GLN CB C 19 31.447 31.447 29.967 1.480 25434 7325 1 19 . 1 1 19 19 GLN H H 19 9.372 9.372 8.650 0.722 25434 7326 1 19 . 1 1 20 20 TYR N N 20 126.395 126.395 128.926 -2.531 25434 7327 1 19 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.371 -0.269 25434 7328 1 19 . 1 1 20 20 TYR CA C 20 59.374 59.374 58.842 0.532 25434 7329 1 19 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.255 -0.230 25434 7330 1 19 . 1 1 20 20 TYR H H 20 9.433 9.433 8.918 0.515 25434 7331 1 19 . 1 1 21 21 ASP N N 21 128.962 128.962 123.854 5.108 25434 7332 1 19 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.723 0.157 25434 7333 1 19 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.148 0.185 25434 7334 1 19 . 1 1 21 21 ASP CB C 21 42.332 42.332 42.417 -0.085 25434 7335 1 19 . 1 1 21 21 ASP H H 21 8.128 8.128 8.165 -0.037 25434 7336 1 19 . 1 1 22 22 GLU N N 22 124.636 124.636 123.808 0.828 25434 7337 1 19 . 1 1 22 22 GLU HA H 22 3.798 3.798 4.078 -0.280 25434 7338 1 19 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.627 0.006 25434 7339 1 19 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.234 0.478 25434 7340 1 19 . 1 1 22 22 GLU H H 22 8.768 8.768 8.741 0.027 25434 7341 1 19 . 1 1 23 23 THR N N 23 112.402 112.402 113.381 -0.979 25434 7342 1 19 . 1 1 23 23 THR HA H 23 4.045 4.045 4.125 -0.080 25434 7343 1 19 . 1 1 23 23 THR CA C 23 65.526 65.526 64.124 1.402 25434 7344 1 19 . 1 1 23 23 THR CB C 23 68.434 68.434 69.102 -0.668 25434 7345 1 19 . 1 1 23 23 THR H H 23 8.031 8.031 7.802 0.229 25434 7346 1 19 . 1 1 24 24 SER N N 24 113.712 113.712 113.226 0.486 25434 7347 1 19 . 1 1 24 24 SER HA H 24 4.327 4.327 4.495 -0.168 25434 7348 1 19 . 1 1 24 24 SER CA C 24 59.046 59.046 58.898 0.148 25434 7349 1 19 . 1 1 24 24 SER CB C 24 65.024 65.024 66.286 -1.262 25434 7350 1 19 . 1 1 24 24 SER H H 24 7.503 7.503 8.547 -1.044 25434 7351 1 19 . 1 1 25 25 GLY N N 25 111.227 111.227 109.774 1.453 25434 7352 1 19 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.060 0.567 25434 7353 1 19 . 1 1 25 25 GLY H H 25 8.304 8.304 8.166 0.138 25434 7354 1 19 . 1 1 26 26 TYR N N 26 117.907 117.907 118.070 -0.163 25434 7355 1 19 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.969 0.418 25434 7356 1 19 . 1 1 26 26 TYR CA C 26 55.006 55.006 56.342 -1.336 25434 7357 1 19 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.791 -1.048 25434 7358 1 19 . 1 1 26 26 TYR H H 26 7.951 7.951 8.372 -0.421 25434 7359 1 19 . 1 1 27 27 TYR N N 27 116.474 116.474 116.965 -0.491 25434 7360 1 19 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.146 0.212 25434 7361 1 19 . 1 1 27 27 TYR CA C 27 58.243 58.243 56.822 1.421 25434 7362 1 19 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.893 0.519 25434 7363 1 19 . 1 1 27 27 TYR H H 27 9.253 9.253 9.417 -0.164 25434 7364 1 19 . 1 1 28 28 TYR N N 28 122.756 122.756 126.003 -3.247 25434 7365 1 19 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.131 0.647 25434 7366 1 19 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.910 1.073 25434 7367 1 19 . 1 1 28 28 TYR CB C 28 41.995 41.995 40.331 1.664 25434 7368 1 19 . 1 1 28 28 TYR H H 28 9.686 9.686 9.458 0.228 25434 7369 1 19 . 1 1 29 29 ASP N N 29 125.994 125.994 126.622 -0.628 25434 7370 1 19 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.331 0.421 25434 7371 1 19 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.289 -0.087 25434 7372 1 19 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.346 0.819 25434 7373 1 19 . 1 1 29 29 ASP H H 29 7.954 7.954 8.112 -0.158 25434 7374 1 19 . 1 1 30 30 PRO HA H 30 4.070 4.070 4.016 0.054 25434 7375 1 19 . 1 1 30 30 PRO CA C 30 63.608 63.608 63.910 -0.302 25434 7376 1 19 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.696 0.896 25434 7377 1 19 . 1 1 31 31 GLN N N 31 115.244 115.244 118.846 -3.602 25434 7378 1 19 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.121 0.111 25434 7379 1 19 . 1 1 31 31 GLN CA C 31 58.517 58.517 58.183 0.334 25434 7380 1 19 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.170 0.135 25434 7381 1 19 . 1 1 31 31 GLN H H 31 7.989 7.989 8.493 -0.504 25434 7382 1 19 . 1 1 32 32 THR N N 32 104.641 104.641 107.504 -2.863 25434 7383 1 19 . 1 1 32 32 THR HA H 32 4.332 4.332 4.405 -0.073 25434 7384 1 19 . 1 1 32 32 THR CA C 32 61.768 61.768 62.372 -0.604 25434 7385 1 19 . 1 1 32 32 THR CB C 32 71.212 71.212 71.430 -0.218 25434 7386 1 19 . 1 1 32 32 THR H H 32 6.765 6.765 8.436 -1.671 25434 7387 1 19 . 1 1 33 33 GLY N N 33 111.318 111.318 110.321 0.997 25434 7388 1 19 . 1 1 33 33 GLY CA C 33 45.527 45.527 44.750 0.777 25434 7389 1 19 . 1 1 33 33 GLY H H 33 8.439 8.439 8.042 0.397 25434 7390 1 19 . 1 1 34 34 LEU N N 34 118.537 118.537 119.762 -1.225 25434 7391 1 19 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.706 -0.105 25434 7392 1 19 . 1 1 34 34 LEU CA C 34 54.021 54.021 55.539 -1.518 25434 7393 1 19 . 1 1 34 34 LEU CB C 34 44.529 44.529 42.760 1.769 25434 7394 1 19 . 1 1 34 34 LEU H H 34 7.422 7.422 7.295 0.127 25434 7395 1 19 . 1 1 35 35 TYR N N 35 116.166 116.166 115.843 0.323 25434 7396 1 19 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.399 0.123 25434 7397 1 19 . 1 1 35 35 TYR CA C 35 57.246 57.246 56.959 0.287 25434 7398 1 19 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.726 -1.850 25434 7399 1 19 . 1 1 35 35 TYR H H 35 8.692 8.692 8.943 -0.251 25434 7400 1 19 . 1 1 36 36 TYR N N 36 121.442 121.442 119.235 2.207 25434 7401 1 19 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.515 0.441 25434 7402 1 19 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.910 0.067 25434 7403 1 19 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.303 0.411 25434 7404 1 19 . 1 1 36 36 TYR H H 36 9.745 9.745 9.505 0.240 25434 7405 1 19 . 1 1 37 37 ASP N N 37 127.129 127.129 122.527 4.602 25434 7406 1 19 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.590 0.651 25434 7407 1 19 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.277 0.005 25434 7408 1 19 . 1 1 37 37 ASP CB C 37 42.859 42.859 43.902 -1.043 25434 7409 1 19 . 1 1 37 37 ASP H H 37 8.029 8.029 7.271 0.758 25434 7410 1 19 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.374 -0.295 25434 7411 1 19 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.322 -0.593 25434 7412 1 19 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.613 -0.125 25434 7413 1 19 . 1 1 39 39 ASN N N 39 115.838 115.838 116.926 -1.088 25434 7414 1 19 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.555 0.123 25434 7415 1 19 . 1 1 39 39 ASN CA C 39 55.719 55.719 55.336 0.383 25434 7416 1 19 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.856 -0.869 25434 7417 1 19 . 1 1 39 39 ASN H H 39 8.232 8.232 8.616 -0.384 25434 7418 1 19 . 1 1 40 40 SER N N 40 112.476 112.476 115.004 -2.528 25434 7419 1 19 . 1 1 40 40 SER HA H 40 4.346 4.346 4.633 -0.287 25434 7420 1 19 . 1 1 40 40 SER CA C 40 58.832 58.832 57.285 1.547 25434 7421 1 19 . 1 1 40 40 SER CB C 40 64.576 64.576 64.167 0.409 25434 7422 1 19 . 1 1 40 40 SER H H 40 7.371 7.371 7.560 -0.189 25434 7423 1 19 . 1 1 41 41 GLN N N 41 114.329 114.329 122.740 -8.411 25434 7424 1 19 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.650 0.130 25434 7425 1 19 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.485 1.677 25434 7426 1 19 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.636 -2.659 25434 7427 1 19 . 1 1 41 41 GLN H H 41 8.203 8.203 8.289 -0.086 25434 7428 1 19 . 1 1 42 42 TYR N N 42 115.202 115.202 118.039 -2.837 25434 7429 1 19 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.875 0.646 25434 7430 1 19 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.784 -1.148 25434 7431 1 19 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.590 3.791 25434 7432 1 19 . 1 1 42 42 TYR H H 42 7.621 7.621 7.257 0.364 25434 7433 1 19 . 1 1 43 43 TYR N N 43 118.608 118.608 122.647 -4.039 25434 7434 1 19 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.545 1.151 25434 7435 1 19 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.173 -1.852 25434 7436 1 19 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.274 2.584 25434 7437 1 19 . 1 1 43 43 TYR H H 43 9.724 9.724 8.598 1.126 25434 7438 1 19 . 1 1 44 44 TYR N N 44 121.727 121.727 122.306 -0.579 25434 7439 1 19 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.856 0.326 25434 7440 1 19 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.718 -0.170 25434 7441 1 19 . 1 1 44 44 TYR CB C 44 42.263 42.263 41.540 0.723 25434 7442 1 19 . 1 1 44 44 TYR H H 44 9.594 9.594 9.292 0.302 25434 7443 1 19 . 1 1 45 45 ASN N N 45 125.423 125.423 125.991 -0.568 25434 7444 1 19 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.935 0.070 25434 7445 1 19 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.319 0.601 25434 7446 1 19 . 1 1 45 45 ASN CB C 45 39.271 39.271 37.989 1.282 25434 7447 1 19 . 1 1 45 45 ASN H H 45 8.244 8.244 8.210 0.034 25434 7448 1 19 . 1 1 46 46 ALA N N 46 126.039 126.039 126.045 -0.006 25434 7449 1 19 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.906 -0.129 25434 7450 1 19 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.792 -1.019 25434 7451 1 19 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.548 0.607 25434 7452 1 19 . 1 1 46 46 ALA H H 46 8.974 8.974 8.482 0.492 25434 7453 1 19 . 1 1 47 47 GLN N N 47 116.850 116.850 117.393 -0.543 25434 7454 1 19 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.130 0.164 25434 7455 1 19 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.041 0.587 25434 7456 1 19 . 1 1 47 47 GLN CB C 47 28.523 28.523 29.115 -0.592 25434 7457 1 19 . 1 1 47 47 GLN H H 47 8.349 8.349 8.566 -0.217 25434 7458 1 19 . 1 1 48 48 SER N N 48 111.872 111.872 110.392 1.480 25434 7459 1 19 . 1 1 48 48 SER HA H 48 4.474 4.474 4.588 -0.114 25434 7460 1 19 . 1 1 48 48 SER CA C 48 57.580 57.580 57.877 -0.297 25434 7461 1 19 . 1 1 48 48 SER CB C 48 64.262 64.262 64.536 -0.274 25434 7462 1 19 . 1 1 48 48 SER H H 48 7.544 7.544 7.906 -0.362 25434 7463 1 19 . 1 1 49 49 GLN N N 49 118.063 118.063 116.756 1.307 25434 7464 1 19 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.606 0.115 25434 7465 1 19 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.046 0.129 25434 7466 1 19 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.798 -0.865 25434 7467 1 19 . 1 1 49 49 GLN H H 49 7.969 7.969 7.811 0.158 25434 7468 1 19 . 1 1 50 50 GLN N N 50 116.254 116.254 116.875 -0.621 25434 7469 1 19 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.649 0.170 25434 7470 1 19 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.112 0.389 25434 7471 1 19 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.367 2.043 25434 7472 1 19 . 1 1 50 50 GLN H H 50 7.180 7.180 7.111 0.069 25434 7473 1 19 . 1 1 51 51 TYR N N 51 121.463 121.463 120.384 1.079 25434 7474 1 19 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.480 0.200 25434 7475 1 19 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.835 0.335 25434 7476 1 19 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.099 -0.032 25434 7477 1 19 . 1 1 51 51 TYR H H 51 8.931 8.931 8.715 0.216 25434 7478 1 19 . 1 1 52 52 LEU N N 52 122.429 122.429 122.819 -0.390 25434 7479 1 19 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.574 -0.026 25434 7480 1 19 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.317 1.116 25434 7481 1 19 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.560 1.489 25434 7482 1 19 . 1 1 52 52 LEU H H 52 9.726 9.726 9.243 0.483 25434 7483 1 19 . 1 1 53 53 TYR N N 53 117.639 117.639 113.834 3.805 25434 7484 1 19 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.435 0.442 25434 7485 1 19 . 1 1 53 53 TYR CA C 53 55.717 55.717 56.140 -0.423 25434 7486 1 19 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.458 0.669 25434 7487 1 19 . 1 1 53 53 TYR H H 53 9.533 9.533 9.118 0.415 25434 7488 1 19 . 1 1 54 54 TRP N N 54 122.206 122.206 124.267 -2.061 25434 7489 1 19 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.402 0.104 25434 7490 1 19 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.990 -0.177 25434 7491 1 19 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.114 0.234 25434 7492 1 19 . 1 1 54 54 TRP H H 54 9.253 9.253 9.383 -0.130 25434 7493 1 19 . 1 1 55 55 ASP N N 55 128.978 128.978 128.930 0.048 25434 7494 1 19 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.655 0.040 25434 7495 1 19 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.103 -0.220 25434 7496 1 19 . 1 1 55 55 ASP CB C 55 42.843 42.843 40.537 2.306 25434 7497 1 19 . 1 1 55 55 ASP H H 55 8.031 8.031 8.101 -0.070 25434 7498 1 19 . 1 1 56 56 GLY N N 56 111.521 111.521 112.065 -0.544 25434 7499 1 19 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.270 0.505 25434 7500 1 19 . 1 1 56 56 GLY H H 56 8.548 8.548 8.229 0.319 25434 7501 1 19 . 1 1 57 57 GLU N N 57 120.202 120.202 118.482 1.720 25434 7502 1 19 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.140 0.153 25434 7503 1 19 . 1 1 57 57 GLU CA C 57 58.318 58.318 57.747 0.571 25434 7504 1 19 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.793 0.090 25434 7505 1 19 . 1 1 57 57 GLU H H 57 8.188 8.188 7.982 0.206 25434 7506 1 19 . 1 1 58 58 ARG N N 58 116.912 116.912 116.026 0.886 25434 7507 1 19 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.574 -0.443 25434 7508 1 19 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.059 1.383 25434 7509 1 19 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.893 -0.006 25434 7510 1 19 . 1 1 58 58 ARG H H 58 7.636 7.636 7.504 0.132 25434 7511 1 19 . 1 1 59 59 ARG N N 59 116.563 116.563 117.860 -1.297 25434 7512 1 19 . 1 1 59 59 ARG HA H 59 3.237 3.237 2.921 0.316 25434 7513 1 19 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.773 -0.041 25434 7514 1 19 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.930 -1.296 25434 7515 1 19 . 1 1 59 59 ARG H H 59 7.878 7.878 7.586 0.292 25434 7516 1 19 . 1 1 60 60 THR N N 60 109.170 109.170 110.369 -1.199 25434 7517 1 19 . 1 1 60 60 THR HA H 60 4.516 4.516 4.481 0.035 25434 7518 1 19 . 1 1 60 60 THR CA C 60 60.050 60.050 59.493 0.557 25434 7519 1 19 . 1 1 60 60 THR CB C 60 69.758 69.758 71.360 -1.602 25434 7520 1 19 . 1 1 60 60 THR H H 60 6.591 6.591 6.493 0.098 25434 7521 1 19 . 1 1 61 61 TYR N N 61 120.491 120.491 120.473 0.018 25434 7522 1 19 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.217 -0.142 25434 7523 1 19 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.705 0.688 25434 7524 1 19 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.907 0.473 25434 7525 1 19 . 1 1 61 61 TYR H H 61 7.474 7.474 8.244 -0.770 25434 7526 1 19 . 1 1 62 62 VAL N N 62 123.115 123.115 117.764 5.351 25434 7527 1 19 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.651 -0.007 25434 7528 1 19 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.777 0.833 25434 7529 1 19 . 1 1 62 62 VAL CB C 62 34.418 34.418 34.249 0.169 25434 7530 1 19 . 1 1 62 62 VAL H H 62 9.176 9.176 8.776 0.400 25434 7531 1 19 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.813 -0.049 25434 7532 1 19 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.562 1.079 25434 7533 1 19 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.621 0.937 25434 7534 1 19 . 1 1 64 64 ALA N N 64 126.032 126.032 127.543 -1.511 25434 7535 1 19 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.625 0.020 25434 7536 1 19 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.875 -0.749 25434 7537 1 19 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.683 1.069 25434 7538 1 19 . 1 1 64 64 ALA H H 64 8.708 8.708 8.487 0.221 25434 7539 1 19 . 1 1 65 65 LEU N N 65 120.884 120.884 118.526 2.358 25434 7540 1 19 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.136 0.355 25434 7541 1 19 . 1 1 65 65 LEU CA C 65 55.656 55.656 57.474 -1.817 25434 7542 1 19 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.638 1.000 25434 7543 1 19 . 1 1 65 65 LEU H H 65 8.469 8.469 8.315 0.154 25434 7544 1 19 . 1 1 66 66 GLU N N 66 115.912 115.912 114.737 1.175 25434 7545 1 19 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.228 0.318 25434 7546 1 19 . 1 1 66 66 GLU CA C 66 55.780 55.780 56.483 -0.703 25434 7547 1 19 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.999 2.028 25434 7548 1 19 . 1 1 66 66 GLU H H 66 8.328 8.328 8.296 0.032 25434 7549 1 19 . 1 1 67 67 GLN N N 67 120.380 120.380 115.429 4.951 25434 7550 1 19 . 1 1 67 67 GLN HA H 67 4.482 4.482 3.775 0.707 25434 7551 1 19 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.235 -0.464 25434 7552 1 19 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.148 2.592 25434 7553 1 19 . 1 1 67 67 GLN H H 67 8.478 8.478 8.281 0.197 25434 7554 1 19 . 1 1 68 68 SER N N 68 116.287 116.287 112.927 3.360 25434 7555 1 19 . 1 1 68 68 SER HA H 68 4.575 4.575 4.040 0.535 25434 7556 1 19 . 1 1 68 68 SER CA C 68 58.309 58.309 58.213 0.096 25434 7557 1 19 . 1 1 68 68 SER CB C 68 64.119 64.119 63.502 0.617 25434 7558 1 19 . 1 1 68 68 SER H H 68 8.370 8.370 7.833 0.537 25434 7559 1 19 . 1 1 69 69 ALA N N 69 125.968 125.968 127.677 -1.709 25434 7560 1 19 . 1 1 69 69 ALA HA H 69 4.443 4.443 3.951 0.492 25434 7561 1 19 . 1 1 69 69 ALA CA C 69 52.982 52.982 53.493 -0.511 25434 7562 1 19 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.794 0.571 25434 7563 1 19 . 1 1 69 69 ALA H H 69 8.533 8.533 8.464 0.069 25434 7564 1 19 . 1 1 70 70 ASP N N 70 118.262 118.262 119.553 -1.291 25434 7565 1 19 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.678 0.004 25434 7566 1 19 . 1 1 70 70 ASP CA C 70 54.469 54.469 53.025 1.444 25434 7567 1 19 . 1 1 70 70 ASP CB C 70 41.379 41.379 42.280 -0.901 25434 7568 1 19 . 1 1 70 70 ASP H H 70 8.300 8.300 8.085 0.215 25434 7569 1 19 . 1 1 71 71 GLY N N 71 108.495 108.495 110.598 -2.103 25434 7570 1 19 . 1 1 71 71 GLY CA C 71 45.822 45.822 46.479 -0.657 25434 7571 1 19 . 1 1 71 71 GLY H H 71 8.291 8.291 8.541 -0.250 25434 7572 1 19 . 1 1 72 72 HIS N N 72 118.240 118.240 121.100 -2.860 25434 7573 1 19 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.331 0.436 25434 7574 1 19 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.262 -0.416 25434 7575 1 19 . 1 1 72 72 HIS CB C 72 29.363 29.363 30.237 -0.874 25434 7576 1 19 . 1 1 72 72 HIS H H 72 8.354 8.354 8.298 0.056 25434 7577 1 19 . 1 1 73 73 LYS N N 73 121.591 121.591 118.140 3.451 25434 7578 1 19 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.310 0.133 25434 7579 1 19 . 1 1 73 73 LYS CA C 73 56.601 56.601 57.133 -0.532 25434 7580 1 19 . 1 1 73 73 LYS CB C 73 33.133 33.133 32.048 1.085 25434 7581 1 19 . 1 1 73 73 LYS H H 73 8.457 8.457 7.636 0.821 25434 7582 1 19 . 1 1 74 74 GLU N N 74 122.169 122.169 124.048 -1.879 25434 7583 1 19 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.047 0.447 25434 7584 1 19 . 1 1 74 74 GLU CA C 74 56.565 56.565 58.916 -2.351 25434 7585 1 19 . 1 1 74 74 GLU CB C 74 30.327 30.327 29.978 0.349 25434 7586 1 19 . 1 1 74 74 GLU H H 74 8.669 8.669 8.915 -0.246 25434 7587 1 19 . 1 1 75 75 THR N N 75 114.560 114.560 106.562 7.998 25434 7588 1 19 . 1 1 75 75 THR HA H 75 4.463 4.463 3.873 0.590 25434 7589 1 19 . 1 1 75 75 THR CA C 75 61.998 61.998 63.384 -1.386 25434 7590 1 19 . 1 1 75 75 THR CB C 75 69.901 69.901 67.375 2.526 25434 7591 1 19 . 1 1 75 75 THR H H 75 8.313 8.313 8.430 -0.117 25434 7592 1 19 . 1 1 76 76 GLY N N 76 110.986 110.986 110.717 0.269 25434 7593 1 19 . 1 1 76 76 GLY CA C 76 45.394 45.394 45.683 -0.289 25434 7594 1 19 . 1 1 76 76 GLY H H 76 8.493 8.493 7.886 0.607 25434 7595 1 19 . 1 1 77 77 ALA N N 77 123.316 123.316 123.815 -0.499 25434 7596 1 19 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.738 -0.104 25434 7597 1 19 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.539 0.072 25434 7598 1 19 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.918 -1.447 25434 7599 1 19 . 1 1 77 77 ALA H H 77 8.025 8.025 7.758 0.267 25434 7600 1 19 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.514 0.214 25434 7601 1 19 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.384 0.585 25434 7602 1 19 . 1 1 79 79 SER N N 79 116.876 116.876 121.748 -4.872 25434 7603 1 19 . 1 1 79 79 SER HA H 79 4.543 4.543 4.682 -0.139 25434 7604 1 19 . 1 1 79 79 SER CA C 79 58.548 58.548 58.588 -0.040 25434 7605 1 19 . 1 1 79 79 SER CB C 79 63.972 63.972 61.612 2.360 25434 7606 1 19 . 1 1 79 79 SER H H 79 8.627 8.627 8.966 -0.339 25434 7607 1 19 . 1 1 80 80 LYS N N 80 122.282 122.282 121.831 0.451 25434 7608 1 19 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.560 -0.163 25434 7609 1 19 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.320 0.308 25434 7610 1 19 . 1 1 80 80 LYS CB C 80 33.268 33.268 34.450 -1.182 25434 7611 1 19 . 1 1 80 80 LYS H H 80 8.359 8.359 8.187 0.172 25434 7612 1 19 . 1 1 81 81 GLU N N 81 121.390 121.390 120.314 1.076 25434 7613 1 19 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.306 0.081 25434 7614 1 19 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.557 0.216 25434 7615 1 19 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.361 2.013 25434 7616 1 19 . 1 1 81 81 GLU H H 81 8.521 8.521 8.239 0.282 25434 7617 1 19 . 1 1 82 82 GLY N N 82 109.657 109.657 108.211 1.446 25434 7618 1 19 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.765 -0.032 25434 7619 1 19 . 1 1 82 82 GLY H H 82 8.491 8.491 7.725 0.766 25434 7620 1 19 . 1 1 83 83 LYS N N 83 120.424 120.424 119.354 1.070 25434 7621 1 19 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.432 -0.037 25434 7622 1 19 . 1 1 83 83 LYS CA C 83 56.900 56.900 55.865 1.035 25434 7623 1 19 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.279 0.943 25434 7624 1 19 . 1 1 83 83 LYS H H 83 8.237 8.237 8.349 -0.112 25434 7625 1 19 . 1 1 84 84 GLU N N 84 120.758 120.758 120.086 0.672 25434 7626 1 19 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.202 0.176 25434 7627 1 19 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.711 -1.976 25434 7628 1 19 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.438 1.165 25434 7629 1 19 . 1 1 84 84 GLU H H 84 8.571 8.571 8.502 0.069 25434 7630 1 19 . 1 1 85 85 LYS N N 85 122.155 122.155 118.255 3.900 25434 7631 1 19 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.461 -0.050 25434 7632 1 19 . 1 1 85 85 LYS CA C 85 56.321 56.321 55.181 1.140 25434 7633 1 19 . 1 1 85 85 LYS CB C 85 33.193 33.193 31.866 1.327 25434 7634 1 19 . 1 1 85 85 LYS H H 85 8.558 8.558 8.156 0.402 25434 7635 1 19 . 1 1 86 86 LYS N N 86 122.185 122.185 119.470 2.715 25434 7636 1 19 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.066 0.306 25434 7637 1 19 . 1 1 86 86 LYS CA C 86 56.669 56.669 57.389 -0.720 25434 7638 1 19 . 1 1 86 86 LYS CB C 86 33.268 33.268 30.181 3.087 25434 7639 1 19 . 1 1 86 86 LYS H H 86 8.397 8.397 7.847 0.550 25434 7640 1 19 . 1 1 87 87 GLU N N 87 124.443 124.443 119.907 4.536 25434 7641 1 19 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.144 0.380 25434 7642 1 19 . 1 1 87 87 GLU CA C 87 58.257 58.257 56.740 1.517 25434 7643 1 19 . 1 1 87 87 GLU CB C 87 33.559 33.559 29.727 3.832 25434 7644 1 19 . 1 1 87 87 GLU H H 87 8.175 8.175 8.695 -0.520 25434 7645 1 19 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.431 0.356 25434 7646 1 19 . 1 1 89 89 HIS CA C 89 55.754 55.754 58.030 -2.276 25434 7647 1 19 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.338 -0.011 25434 7648 1 19 . 1 1 90 90 LYS N N 90 122.178 122.178 118.957 3.221 25434 7649 1 19 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.474 -0.077 25434 7650 1 19 . 1 1 90 90 LYS CA C 90 56.597 56.597 55.353 1.244 25434 7651 1 19 . 1 1 90 90 LYS CB C 90 33.222 33.222 34.425 -1.203 25434 7652 1 19 . 1 1 90 90 LYS H H 90 8.335 8.335 7.565 0.770 25434 7653 1 19 . 1 1 91 91 THR N N 91 121.268 121.268 112.584 8.684 25434 7654 1 19 . 1 1 91 91 THR HA H 91 4.453 4.453 4.580 -0.127 25434 7655 1 19 . 1 1 91 91 THR CA C 91 61.956 61.956 61.166 0.791 25434 7656 1 19 . 1 1 91 91 THR CB C 91 69.916 69.916 70.086 -0.170 25434 7657 1 19 . 1 1 91 91 THR H H 91 8.047 8.047 7.918 0.129 25434 7658 1 20 . 1 1 5 5 GLU N N 5 123.289 123.289 123.219 0.070 25434 7659 1 20 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.111 0.423 25434 7660 1 20 . 1 1 5 5 GLU CA C 5 63.240 63.240 57.425 5.815 25434 7661 1 20 . 1 1 5 5 GLU CB C 5 32.225 32.225 29.668 2.558 25434 7662 1 20 . 1 1 5 5 GLU H H 5 8.538 8.538 8.724 -0.186 25434 7663 1 20 . 1 1 6 6 SER N N 6 115.506 115.506 113.363 2.143 25434 7664 1 20 . 1 1 6 6 SER HA H 6 4.552 4.552 3.504 1.048 25434 7665 1 20 . 1 1 6 6 SER CA C 6 58.231 58.231 57.837 0.394 25434 7666 1 20 . 1 1 6 6 SER CB C 6 64.028 64.028 62.189 1.839 25434 7667 1 20 . 1 1 6 6 SER H H 6 8.435 8.435 8.066 0.369 25434 7668 1 20 . 1 1 7 7 TYR N N 7 121.104 121.104 115.226 5.878 25434 7669 1 20 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.026 0.716 25434 7670 1 20 . 1 1 7 7 TYR CA C 7 57.611 57.611 59.554 -1.943 25434 7671 1 20 . 1 1 7 7 TYR CB C 7 39.176 39.176 36.443 2.733 25434 7672 1 20 . 1 1 7 7 TYR H H 7 8.137 8.137 7.731 0.406 25434 7673 1 20 . 1 1 8 8 SER N N 8 116.875 116.875 114.227 2.648 25434 7674 1 20 . 1 1 8 8 SER HA H 8 4.539 4.539 4.112 0.427 25434 7675 1 20 . 1 1 8 8 SER CA C 8 58.327 58.327 59.954 -1.627 25434 7676 1 20 . 1 1 8 8 SER CB C 8 63.958 63.958 63.161 0.797 25434 7677 1 20 . 1 1 8 8 SER H H 8 8.364 8.364 8.416 -0.052 25434 7678 1 20 . 1 1 9 9 GLN N N 9 120.999 120.999 117.704 3.295 25434 7679 1 20 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.508 -0.065 25434 7680 1 20 . 1 1 9 9 GLN CA C 9 56.678 56.678 54.760 1.918 25434 7681 1 20 . 1 1 9 9 GLN CB C 9 30.372 30.372 30.337 0.035 25434 7682 1 20 . 1 1 9 9 GLN H H 9 8.414 8.414 7.533 0.881 25434 7683 1 20 . 1 1 10 10 TYR N N 10 121.815 121.815 122.160 -0.345 25434 7684 1 20 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.572 0.402 25434 7685 1 20 . 1 1 10 10 TYR CA C 10 56.383 56.383 58.064 -1.681 25434 7686 1 20 . 1 1 10 10 TYR CB C 10 40.009 40.009 37.530 2.479 25434 7687 1 20 . 1 1 10 10 TYR H H 10 8.549 8.549 8.392 0.157 25434 7688 1 20 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.483 0.133 25434 7689 1 20 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.568 -0.569 25434 7690 1 20 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.570 -0.367 25434 7691 1 20 . 1 1 12 12 VAL N N 12 120.450 120.450 119.094 1.356 25434 7692 1 20 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.117 -0.317 25434 7693 1 20 . 1 1 12 12 VAL CA C 12 60.457 60.457 60.049 0.408 25434 7694 1 20 . 1 1 12 12 VAL CB C 12 32.251 32.251 32.014 0.237 25434 7695 1 20 . 1 1 12 12 VAL H H 12 8.074 8.074 8.239 -0.165 25434 7696 1 20 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.387 -0.369 25434 7697 1 20 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.739 0.441 25434 7698 1 20 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.428 0.204 25434 7699 1 20 . 1 1 14 14 ASP N N 14 120.579 120.579 118.416 2.163 25434 7700 1 20 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.559 0.152 25434 7701 1 20 . 1 1 14 14 ASP CA C 14 52.074 52.074 53.044 -0.970 25434 7702 1 20 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.979 -2.929 25434 7703 1 20 . 1 1 14 14 ASP H H 14 8.148 8.148 8.381 -0.233 25434 7704 1 20 . 1 1 15 15 VAL N N 15 120.884 120.884 123.204 -2.320 25434 7705 1 20 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.702 0.468 25434 7706 1 20 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.008 -0.239 25434 7707 1 20 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.114 -0.217 25434 7708 1 20 . 1 1 15 15 VAL H H 15 8.161 8.161 8.284 -0.123 25434 7709 1 20 . 1 1 16 16 SER N N 16 116.885 116.885 115.273 1.612 25434 7710 1 20 . 1 1 16 16 SER HA H 16 4.294 4.294 4.088 0.206 25434 7711 1 20 . 1 1 16 16 SER CA C 16 61.011 61.011 60.581 0.430 25434 7712 1 20 . 1 1 16 16 SER CB C 16 63.004 63.004 62.875 0.129 25434 7713 1 20 . 1 1 16 16 SER H H 16 8.139 8.139 8.263 -0.124 25434 7714 1 20 . 1 1 17 17 THR N N 17 110.397 110.397 113.685 -3.288 25434 7715 1 20 . 1 1 17 17 THR HA H 17 4.558 4.558 4.391 0.167 25434 7716 1 20 . 1 1 17 17 THR CA C 17 61.987 61.987 61.647 0.340 25434 7717 1 20 . 1 1 17 17 THR CB C 17 70.459 70.459 69.554 0.905 25434 7718 1 20 . 1 1 17 17 THR H H 17 7.549 7.549 7.231 0.318 25434 7719 1 20 . 1 1 18 18 TYR N N 18 120.956 120.956 121.119 -0.163 25434 7720 1 20 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.761 0.407 25434 7721 1 20 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.807 -1.984 25434 7722 1 20 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.168 -1.428 25434 7723 1 20 . 1 1 18 18 TYR H H 18 7.365 7.365 7.406 -0.041 25434 7724 1 20 . 1 1 19 19 GLN N N 19 119.670 119.670 119.606 0.064 25434 7725 1 20 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.807 0.245 25434 7726 1 20 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.455 -0.069 25434 7727 1 20 . 1 1 19 19 GLN CB C 19 31.447 31.447 31.729 -0.282 25434 7728 1 20 . 1 1 19 19 GLN H H 19 9.372 9.372 8.784 0.588 25434 7729 1 20 . 1 1 20 20 TYR N N 20 126.395 126.395 126.769 -0.374 25434 7730 1 20 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.565 -0.463 25434 7731 1 20 . 1 1 20 20 TYR CA C 20 59.374 59.374 58.589 0.785 25434 7732 1 20 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.375 -0.349 25434 7733 1 20 . 1 1 20 20 TYR H H 20 9.433 9.433 8.981 0.452 25434 7734 1 20 . 1 1 21 21 ASP N N 21 128.962 128.962 126.606 2.356 25434 7735 1 20 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.887 -0.007 25434 7736 1 20 . 1 1 21 21 ASP CA C 21 52.333 52.333 53.134 -0.801 25434 7737 1 20 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.342 0.990 25434 7738 1 20 . 1 1 21 21 ASP H H 21 8.128 8.128 8.326 -0.198 25434 7739 1 20 . 1 1 22 22 GLU N N 22 124.636 124.636 124.025 0.611 25434 7740 1 20 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.668 0.130 25434 7741 1 20 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.815 -0.182 25434 7742 1 20 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.082 0.630 25434 7743 1 20 . 1 1 22 22 GLU H H 22 8.768 8.768 8.677 0.091 25434 7744 1 20 . 1 1 23 23 THR N N 23 112.402 112.402 113.190 -0.788 25434 7745 1 20 . 1 1 23 23 THR HA H 23 4.045 4.045 4.104 -0.059 25434 7746 1 20 . 1 1 23 23 THR CA C 23 65.526 65.526 64.236 1.290 25434 7747 1 20 . 1 1 23 23 THR CB C 23 68.434 68.434 69.022 -0.588 25434 7748 1 20 . 1 1 23 23 THR H H 23 8.031 8.031 7.867 0.164 25434 7749 1 20 . 1 1 24 24 SER N N 24 113.712 113.712 113.198 0.514 25434 7750 1 20 . 1 1 24 24 SER HA H 24 4.327 4.327 4.617 -0.290 25434 7751 1 20 . 1 1 24 24 SER CA C 24 59.046 59.046 58.395 0.651 25434 7752 1 20 . 1 1 24 24 SER CB C 24 65.024 65.024 66.144 -1.120 25434 7753 1 20 . 1 1 24 24 SER H H 24 7.503 7.503 7.791 -0.288 25434 7754 1 20 . 1 1 25 25 GLY N N 25 111.227 111.227 109.493 1.734 25434 7755 1 20 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.325 0.302 25434 7756 1 20 . 1 1 25 25 GLY H H 25 8.304 8.304 8.092 0.212 25434 7757 1 20 . 1 1 26 26 TYR N N 26 117.907 117.907 119.084 -1.177 25434 7758 1 20 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.768 0.619 25434 7759 1 20 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.805 -2.799 25434 7760 1 20 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.596 -0.853 25434 7761 1 20 . 1 1 26 26 TYR H H 26 7.951 7.951 7.121 0.830 25434 7762 1 20 . 1 1 27 27 TYR N N 27 116.474 116.474 116.021 0.453 25434 7763 1 20 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.545 -0.187 25434 7764 1 20 . 1 1 27 27 TYR CA C 27 58.243 58.243 56.531 1.712 25434 7765 1 20 . 1 1 27 27 TYR CB C 27 41.412 41.412 42.537 -1.125 25434 7766 1 20 . 1 1 27 27 TYR H H 27 9.253 9.253 9.450 -0.197 25434 7767 1 20 . 1 1 28 28 TYR N N 28 122.756 122.756 122.391 0.365 25434 7768 1 20 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.569 0.209 25434 7769 1 20 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.600 1.383 25434 7770 1 20 . 1 1 28 28 TYR CB C 28 41.995 41.995 42.586 -0.591 25434 7771 1 20 . 1 1 28 28 TYR H H 28 9.686 9.686 9.542 0.144 25434 7772 1 20 . 1 1 29 29 ASP N N 29 125.994 125.994 126.155 -0.161 25434 7773 1 20 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.753 -0.001 25434 7774 1 20 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.647 -0.445 25434 7775 1 20 . 1 1 29 29 ASP CB C 29 42.165 42.165 41.522 0.643 25434 7776 1 20 . 1 1 29 29 ASP H H 29 7.954 7.954 8.005 -0.051 25434 7777 1 20 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.909 0.161 25434 7778 1 20 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.410 -0.802 25434 7779 1 20 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.687 0.905 25434 7780 1 20 . 1 1 31 31 GLN N N 31 115.244 115.244 117.766 -2.522 25434 7781 1 20 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.124 0.108 25434 7782 1 20 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.978 0.538 25434 7783 1 20 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.634 -0.329 25434 7784 1 20 . 1 1 31 31 GLN H H 31 7.989 7.989 8.228 -0.239 25434 7785 1 20 . 1 1 32 32 THR N N 32 104.641 104.641 104.975 -0.334 25434 7786 1 20 . 1 1 32 32 THR HA H 32 4.332 4.332 4.528 -0.196 25434 7787 1 20 . 1 1 32 32 THR CA C 32 61.768 61.768 61.875 -0.107 25434 7788 1 20 . 1 1 32 32 THR CB C 32 71.212 71.212 71.936 -0.724 25434 7789 1 20 . 1 1 32 32 THR H H 32 6.765 6.765 8.155 -1.390 25434 7790 1 20 . 1 1 33 33 GLY N N 33 111.318 111.318 111.148 0.170 25434 7791 1 20 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.276 0.251 25434 7792 1 20 . 1 1 33 33 GLY H H 33 8.439 8.439 8.239 0.200 25434 7793 1 20 . 1 1 34 34 LEU N N 34 118.537 118.537 119.501 -0.964 25434 7794 1 20 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.516 0.085 25434 7795 1 20 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.618 -0.597 25434 7796 1 20 . 1 1 34 34 LEU CB C 34 44.529 44.529 42.589 1.940 25434 7797 1 20 . 1 1 34 34 LEU H H 34 7.422 7.422 7.126 0.296 25434 7798 1 20 . 1 1 35 35 TYR N N 35 116.166 116.166 116.731 -0.565 25434 7799 1 20 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.295 0.227 25434 7800 1 20 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.149 0.097 25434 7801 1 20 . 1 1 35 35 TYR CB C 35 40.876 40.876 41.521 -0.645 25434 7802 1 20 . 1 1 35 35 TYR H H 35 8.692 8.692 8.811 -0.119 25434 7803 1 20 . 1 1 36 36 TYR N N 36 121.442 121.442 121.345 0.097 25434 7804 1 20 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.609 0.347 25434 7805 1 20 . 1 1 36 36 TYR CA C 36 56.977 56.977 56.712 0.265 25434 7806 1 20 . 1 1 36 36 TYR CB C 36 42.714 42.714 43.201 -0.487 25434 7807 1 20 . 1 1 36 36 TYR H H 36 9.745 9.745 9.606 0.139 25434 7808 1 20 . 1 1 37 37 ASP N N 37 127.129 127.129 123.071 4.058 25434 7809 1 20 . 1 1 37 37 ASP HA H 37 5.241 5.241 5.255 -0.014 25434 7810 1 20 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.764 -0.482 25434 7811 1 20 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.441 -1.581 25434 7812 1 20 . 1 1 37 37 ASP H H 37 8.029 8.029 7.274 0.755 25434 7813 1 20 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.400 -0.321 25434 7814 1 20 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.681 -0.952 25434 7815 1 20 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.282 0.206 25434 7816 1 20 . 1 1 39 39 ASN N N 39 115.838 115.838 115.035 0.803 25434 7817 1 20 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.786 -0.108 25434 7818 1 20 . 1 1 39 39 ASN CA C 39 55.719 55.719 53.643 2.076 25434 7819 1 20 . 1 1 39 39 ASN CB C 39 38.987 38.987 40.875 -1.888 25434 7820 1 20 . 1 1 39 39 ASN H H 39 8.232 8.232 8.287 -0.055 25434 7821 1 20 . 1 1 40 40 SER N N 40 112.476 112.476 116.165 -3.689 25434 7822 1 20 . 1 1 40 40 SER HA H 40 4.346 4.346 4.734 -0.388 25434 7823 1 20 . 1 1 40 40 SER CA C 40 58.832 58.832 56.364 2.468 25434 7824 1 20 . 1 1 40 40 SER CB C 40 64.576 64.576 63.122 1.454 25434 7825 1 20 . 1 1 40 40 SER H H 40 7.371 7.371 7.674 -0.303 25434 7826 1 20 . 1 1 41 41 GLN N N 41 114.329 114.329 124.498 -10.169 25434 7827 1 20 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.486 0.294 25434 7828 1 20 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.567 1.595 25434 7829 1 20 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.157 -2.179 25434 7830 1 20 . 1 1 41 41 GLN H H 41 8.203 8.203 8.325 -0.122 25434 7831 1 20 . 1 1 42 42 TYR N N 42 115.202 115.202 119.692 -4.490 25434 7832 1 20 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.729 0.792 25434 7833 1 20 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.753 -1.117 25434 7834 1 20 . 1 1 42 42 TYR CB C 42 40.381 40.381 36.407 3.974 25434 7835 1 20 . 1 1 42 42 TYR H H 42 7.621 7.621 7.001 0.620 25434 7836 1 20 . 1 1 43 43 TYR N N 43 118.608 118.608 124.691 -6.083 25434 7837 1 20 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.507 1.188 25434 7838 1 20 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.562 -2.241 25434 7839 1 20 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.077 2.781 25434 7840 1 20 . 1 1 43 43 TYR H H 43 9.724 9.724 8.706 1.018 25434 7841 1 20 . 1 1 44 44 TYR N N 44 121.727 121.727 124.242 -2.515 25434 7842 1 20 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.728 0.454 25434 7843 1 20 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.641 -0.093 25434 7844 1 20 . 1 1 44 44 TYR CB C 44 42.263 42.263 39.505 2.758 25434 7845 1 20 . 1 1 44 44 TYR H H 44 9.594 9.594 9.091 0.503 25434 7846 1 20 . 1 1 45 45 ASN N N 45 125.423 125.423 127.418 -1.995 25434 7847 1 20 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.631 0.374 25434 7848 1 20 . 1 1 45 45 ASN CA C 45 50.920 50.920 51.136 -0.217 25434 7849 1 20 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.041 1.230 25434 7850 1 20 . 1 1 45 45 ASN H H 45 8.244 8.244 8.691 -0.447 25434 7851 1 20 . 1 1 46 46 ALA N N 46 126.039 126.039 127.508 -1.469 25434 7852 1 20 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.680 0.097 25434 7853 1 20 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.762 -0.989 25434 7854 1 20 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.695 0.460 25434 7855 1 20 . 1 1 46 46 ALA H H 46 8.974 8.974 7.570 1.404 25434 7856 1 20 . 1 1 47 47 GLN N N 47 116.850 116.850 116.439 0.411 25434 7857 1 20 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.101 0.193 25434 7858 1 20 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.000 0.628 25434 7859 1 20 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.735 -0.212 25434 7860 1 20 . 1 1 47 47 GLN H H 47 8.349 8.349 8.228 0.121 25434 7861 1 20 . 1 1 48 48 SER N N 48 111.872 111.872 111.339 0.533 25434 7862 1 20 . 1 1 48 48 SER HA H 48 4.474 4.474 4.573 -0.099 25434 7863 1 20 . 1 1 48 48 SER CA C 48 57.580 57.580 58.593 -1.013 25434 7864 1 20 . 1 1 48 48 SER CB C 48 64.262 64.262 64.923 -0.661 25434 7865 1 20 . 1 1 48 48 SER H H 48 7.544 7.544 7.441 0.103 25434 7866 1 20 . 1 1 49 49 GLN N N 49 118.063 118.063 117.125 0.938 25434 7867 1 20 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.836 -0.115 25434 7868 1 20 . 1 1 49 49 GLN CA C 49 57.175 57.175 56.961 0.214 25434 7869 1 20 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.204 -0.271 25434 7870 1 20 . 1 1 49 49 GLN H H 49 7.969 7.969 7.966 0.003 25434 7871 1 20 . 1 1 50 50 GLN N N 50 116.254 116.254 114.818 1.436 25434 7872 1 20 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.829 -0.010 25434 7873 1 20 . 1 1 50 50 GLN CA C 50 54.501 54.501 53.255 1.246 25434 7874 1 20 . 1 1 50 50 GLN CB C 50 33.410 33.410 32.040 1.370 25434 7875 1 20 . 1 1 50 50 GLN H H 50 7.180 7.180 7.787 -0.607 25434 7876 1 20 . 1 1 51 51 TYR N N 51 121.463 121.463 118.566 2.897 25434 7877 1 20 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.896 -0.216 25434 7878 1 20 . 1 1 51 51 TYR CA C 51 58.170 58.170 56.960 1.210 25434 7879 1 20 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.934 -0.867 25434 7880 1 20 . 1 1 51 51 TYR H H 51 8.931 8.931 8.788 0.143 25434 7881 1 20 . 1 1 52 52 LEU N N 52 122.429 122.429 119.555 2.874 25434 7882 1 20 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.248 0.300 25434 7883 1 20 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.636 0.797 25434 7884 1 20 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.792 1.257 25434 7885 1 20 . 1 1 52 52 LEU H H 52 9.726 9.726 9.031 0.695 25434 7886 1 20 . 1 1 53 53 TYR N N 53 117.639 117.639 114.531 3.108 25434 7887 1 20 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.465 0.412 25434 7888 1 20 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.135 0.582 25434 7889 1 20 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.311 0.816 25434 7890 1 20 . 1 1 53 53 TYR H H 53 9.533 9.533 9.053 0.480 25434 7891 1 20 . 1 1 54 54 TRP N N 54 122.206 122.206 122.024 0.182 25434 7892 1 20 . 1 1 54 54 TRP HA H 54 4.506 4.506 5.028 -0.522 25434 7893 1 20 . 1 1 54 54 TRP CA C 54 56.813 56.813 55.959 0.854 25434 7894 1 20 . 1 1 54 54 TRP CB C 54 30.348 30.348 32.061 -1.713 25434 7895 1 20 . 1 1 54 54 TRP H H 54 9.253 9.253 8.805 0.448 25434 7896 1 20 . 1 1 55 55 ASP N N 55 128.978 128.978 125.454 3.524 25434 7897 1 20 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.677 0.018 25434 7898 1 20 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.525 -0.642 25434 7899 1 20 . 1 1 55 55 ASP CB C 55 42.843 42.843 42.988 -0.145 25434 7900 1 20 . 1 1 55 55 ASP H H 55 8.031 8.031 7.923 0.108 25434 7901 1 20 . 1 1 56 56 GLY N N 56 111.521 111.521 112.624 -1.103 25434 7902 1 20 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.174 0.601 25434 7903 1 20 . 1 1 56 56 GLY H H 56 8.548 8.548 8.594 -0.046 25434 7904 1 20 . 1 1 57 57 GLU N N 57 120.202 120.202 120.693 -0.491 25434 7905 1 20 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.099 0.194 25434 7906 1 20 . 1 1 57 57 GLU CA C 57 58.318 58.318 59.048 -0.730 25434 7907 1 20 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.715 0.168 25434 7908 1 20 . 1 1 57 57 GLU H H 57 8.188 8.188 7.683 0.505 25434 7909 1 20 . 1 1 58 58 ARG N N 58 116.912 116.912 116.615 0.297 25434 7910 1 20 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.327 -0.196 25434 7911 1 20 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.353 1.089 25434 7912 1 20 . 1 1 58 58 ARG CB C 58 31.887 31.887 30.849 1.038 25434 7913 1 20 . 1 1 58 58 ARG H H 58 7.636 7.636 8.267 -0.631 25434 7914 1 20 . 1 1 59 59 ARG N N 59 116.563 116.563 116.749 -0.186 25434 7915 1 20 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.486 -0.249 25434 7916 1 20 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.815 -0.083 25434 7917 1 20 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.146 -0.512 25434 7918 1 20 . 1 1 59 59 ARG H H 59 7.878 7.878 7.498 0.380 25434 7919 1 20 . 1 1 60 60 THR N N 60 109.170 109.170 110.927 -1.757 25434 7920 1 20 . 1 1 60 60 THR HA H 60 4.516 4.516 4.377 0.139 25434 7921 1 20 . 1 1 60 60 THR CA C 60 60.050 60.050 59.369 0.681 25434 7922 1 20 . 1 1 60 60 THR CB C 60 69.758 69.758 71.421 -1.663 25434 7923 1 20 . 1 1 60 60 THR H H 60 6.591 6.591 7.277 -0.686 25434 7924 1 20 . 1 1 61 61 TYR N N 61 120.491 120.491 121.350 -0.859 25434 7925 1 20 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.063 0.012 25434 7926 1 20 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.358 1.035 25434 7927 1 20 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.264 1.117 25434 7928 1 20 . 1 1 61 61 TYR H H 61 7.474 7.474 8.225 -0.751 25434 7929 1 20 . 1 1 62 62 VAL N N 62 123.115 123.115 118.493 4.622 25434 7930 1 20 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.657 -0.013 25434 7931 1 20 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.396 1.214 25434 7932 1 20 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.677 0.741 25434 7933 1 20 . 1 1 62 62 VAL H H 62 9.176 9.176 7.894 1.282 25434 7934 1 20 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.670 0.094 25434 7935 1 20 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.559 1.082 25434 7936 1 20 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.736 0.822 25434 7937 1 20 . 1 1 64 64 ALA N N 64 126.032 126.032 127.178 -1.146 25434 7938 1 20 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.350 0.295 25434 7939 1 20 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.967 -0.841 25434 7940 1 20 . 1 1 64 64 ALA CB C 64 19.752 19.752 18.922 0.830 25434 7941 1 20 . 1 1 64 64 ALA H H 64 8.708 8.708 8.678 0.030 25434 7942 1 20 . 1 1 65 65 LEU N N 65 120.884 120.884 120.593 0.291 25434 7943 1 20 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.028 0.463 25434 7944 1 20 . 1 1 65 65 LEU CA C 65 55.656 55.656 57.032 -1.376 25434 7945 1 20 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.918 0.720 25434 7946 1 20 . 1 1 65 65 LEU H H 65 8.469 8.469 7.710 0.759 25434 7947 1 20 . 1 1 66 66 GLU N N 66 115.912 115.912 116.883 -0.971 25434 7948 1 20 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.152 0.394 25434 7949 1 20 . 1 1 66 66 GLU CA C 66 55.780 55.780 57.057 -1.277 25434 7950 1 20 . 1 1 66 66 GLU CB C 66 33.027 33.027 29.755 3.272 25434 7951 1 20 . 1 1 66 66 GLU H H 66 8.328 8.328 8.477 -0.149 25434 7952 1 20 . 1 1 67 67 GLN N N 67 120.380 120.380 116.905 3.475 25434 7953 1 20 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.251 0.231 25434 7954 1 20 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.587 -0.816 25434 7955 1 20 . 1 1 67 67 GLN CB C 67 29.740 29.740 27.932 1.808 25434 7956 1 20 . 1 1 67 67 GLN H H 67 8.478 8.478 8.415 0.062 25434 7957 1 20 . 1 1 68 68 SER N N 68 116.287 116.287 113.204 3.083 25434 7958 1 20 . 1 1 68 68 SER HA H 68 4.575 4.575 4.696 -0.121 25434 7959 1 20 . 1 1 68 68 SER CA C 68 58.309 58.309 57.597 0.712 25434 7960 1 20 . 1 1 68 68 SER CB C 68 64.119 64.119 64.923 -0.804 25434 7961 1 20 . 1 1 68 68 SER H H 68 8.370 8.370 7.916 0.454 25434 7962 1 20 . 1 1 69 69 ALA N N 69 125.968 125.968 127.462 -1.494 25434 7963 1 20 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.062 0.381 25434 7964 1 20 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.729 0.253 25434 7965 1 20 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.880 0.485 25434 7966 1 20 . 1 1 69 69 ALA H H 69 8.533 8.533 8.448 0.085 25434 7967 1 20 . 1 1 70 70 ASP N N 70 118.262 118.262 121.484 -3.222 25434 7968 1 20 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.777 -0.095 25434 7969 1 20 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.128 0.341 25434 7970 1 20 . 1 1 70 70 ASP CB C 70 41.379 41.379 39.563 1.816 25434 7971 1 20 . 1 1 70 70 ASP H H 70 8.300 8.300 8.582 -0.282 25434 7972 1 20 . 1 1 71 71 GLY N N 71 108.495 108.495 109.024 -0.529 25434 7973 1 20 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.332 0.490 25434 7974 1 20 . 1 1 71 71 GLY H H 71 8.291 8.291 8.024 0.267 25434 7975 1 20 . 1 1 72 72 HIS N N 72 118.240 118.240 117.099 1.141 25434 7976 1 20 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.432 0.335 25434 7977 1 20 . 1 1 72 72 HIS CA C 72 55.846 55.846 57.247 -1.401 25434 7978 1 20 . 1 1 72 72 HIS CB C 72 29.363 29.363 29.193 0.170 25434 7979 1 20 . 1 1 72 72 HIS H H 72 8.354 8.354 8.750 -0.396 25434 7980 1 20 . 1 1 73 73 LYS N N 73 121.591 121.591 119.819 1.772 25434 7981 1 20 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.649 -0.206 25434 7982 1 20 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.269 1.332 25434 7983 1 20 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.612 -0.479 25434 7984 1 20 . 1 1 73 73 LYS H H 73 8.457 8.457 7.810 0.647 25434 7985 1 20 . 1 1 74 74 GLU N N 74 122.169 122.169 119.805 2.364 25434 7986 1 20 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.551 -0.057 25434 7987 1 20 . 1 1 74 74 GLU CA C 74 56.565 56.565 55.640 0.925 25434 7988 1 20 . 1 1 74 74 GLU CB C 74 30.327 30.327 31.101 -0.774 25434 7989 1 20 . 1 1 74 74 GLU H H 74 8.669 8.669 8.493 0.176 25434 7990 1 20 . 1 1 75 75 THR N N 75 114.560 114.560 113.971 0.589 25434 7991 1 20 . 1 1 75 75 THR HA H 75 4.463 4.463 4.163 0.300 25434 7992 1 20 . 1 1 75 75 THR CA C 75 61.998 61.998 63.531 -1.533 25434 7993 1 20 . 1 1 75 75 THR CB C 75 69.901 69.901 69.220 0.681 25434 7994 1 20 . 1 1 75 75 THR H H 75 8.313 8.313 8.190 0.123 25434 7995 1 20 . 1 1 76 76 GLY N N 76 110.986 110.986 109.387 1.599 25434 7996 1 20 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.838 0.556 25434 7997 1 20 . 1 1 76 76 GLY H H 76 8.493 8.493 7.765 0.728 25434 7998 1 20 . 1 1 77 77 ALA N N 77 123.316 123.316 124.006 -0.690 25434 7999 1 20 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.569 0.065 25434 8000 1 20 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.722 -0.111 25434 8001 1 20 . 1 1 77 77 ALA CB C 77 18.471 18.471 20.260 -1.789 25434 8002 1 20 . 1 1 77 77 ALA H H 77 8.025 8.025 8.163 -0.138 25434 8003 1 20 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.659 0.069 25434 8004 1 20 . 1 1 78 78 PRO CA C 78 62.969 62.969 62.515 0.454 25434 8005 1 20 . 1 1 79 79 SER N N 79 116.876 116.876 113.842 3.034 25434 8006 1 20 . 1 1 79 79 SER HA H 79 4.543 4.543 3.953 0.590 25434 8007 1 20 . 1 1 79 79 SER CA C 79 58.548 58.548 60.965 -2.417 25434 8008 1 20 . 1 1 79 79 SER CB C 79 63.972 63.972 62.072 1.900 25434 8009 1 20 . 1 1 79 79 SER H H 79 8.627 8.627 8.553 0.074 25434 8010 1 20 . 1 1 80 80 LYS N N 80 122.282 122.282 121.686 0.596 25434 8011 1 20 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.110 0.287 25434 8012 1 20 . 1 1 80 80 LYS CA C 80 56.628 56.628 57.494 -0.866 25434 8013 1 20 . 1 1 80 80 LYS CB C 80 33.268 33.268 31.929 1.339 25434 8014 1 20 . 1 1 80 80 LYS H H 80 8.359 8.359 8.067 0.292 25434 8015 1 20 . 1 1 81 81 GLU N N 81 121.390 121.390 117.044 4.346 25434 8016 1 20 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.436 -0.049 25434 8017 1 20 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.456 0.317 25434 8018 1 20 . 1 1 81 81 GLU CB C 81 30.374 30.374 31.907 -1.534 25434 8019 1 20 . 1 1 81 81 GLU H H 81 8.521 8.521 8.145 0.376 25434 8020 1 20 . 1 1 82 82 GLY N N 82 109.657 109.657 108.531 1.126 25434 8021 1 20 . 1 1 82 82 GLY CA C 82 45.733 45.733 46.111 -0.378 25434 8022 1 20 . 1 1 82 82 GLY H H 82 8.491 8.491 8.424 0.068 25434 8023 1 20 . 1 1 83 83 LYS N N 83 120.424 120.424 122.291 -1.867 25434 8024 1 20 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.194 0.201 25434 8025 1 20 . 1 1 83 83 LYS CA C 83 56.900 56.900 56.879 0.021 25434 8026 1 20 . 1 1 83 83 LYS CB C 83 33.222 33.222 31.775 1.447 25434 8027 1 20 . 1 1 83 83 LYS H H 83 8.237 8.237 8.453 -0.216 25434 8028 1 20 . 1 1 84 84 GLU N N 84 120.758 120.758 121.404 -0.646 25434 8029 1 20 . 1 1 84 84 GLU HA H 84 4.378 4.378 3.915 0.463 25434 8030 1 20 . 1 1 84 84 GLU CA C 84 56.735 56.735 59.803 -3.068 25434 8031 1 20 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.586 1.016 25434 8032 1 20 . 1 1 84 84 GLU H H 84 8.571 8.571 8.010 0.561 25434 8033 1 20 . 1 1 85 85 LYS N N 85 122.155 122.155 115.281 6.874 25434 8034 1 20 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.261 0.150 25434 8035 1 20 . 1 1 85 85 LYS CA C 85 56.321 56.321 56.885 -0.564 25434 8036 1 20 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.721 0.472 25434 8037 1 20 . 1 1 85 85 LYS H H 85 8.558 8.558 8.456 0.102 25434 8038 1 20 . 1 1 86 86 LYS N N 86 122.185 122.185 115.816 6.369 25434 8039 1 20 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.502 -0.130 25434 8040 1 20 . 1 1 86 86 LYS CA C 86 56.669 56.669 55.568 1.101 25434 8041 1 20 . 1 1 86 86 LYS CB C 86 33.268 33.268 32.613 0.655 25434 8042 1 20 . 1 1 86 86 LYS H H 86 8.397 8.397 7.720 0.677 25434 8043 1 20 . 1 1 87 87 GLU N N 87 124.443 124.443 121.989 2.454 25434 8044 1 20 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.098 0.426 25434 8045 1 20 . 1 1 87 87 GLU CA C 87 58.257 58.257 58.681 -0.424 25434 8046 1 20 . 1 1 87 87 GLU CB C 87 33.559 33.559 30.212 3.347 25434 8047 1 20 . 1 1 87 87 GLU H H 87 8.175 8.175 7.877 0.298 25434 8048 1 20 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.550 0.237 25434 8049 1 20 . 1 1 89 89 HIS CA C 89 55.754 55.754 55.440 0.314 25434 8050 1 20 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.654 -0.327 25434 8051 1 20 . 1 1 90 90 LYS N N 90 122.178 122.178 120.981 1.197 25434 8052 1 20 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.460 -0.063 25434 8053 1 20 . 1 1 90 90 LYS CA C 90 56.597 56.597 55.167 1.430 25434 8054 1 20 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.537 -0.315 25434 8055 1 20 . 1 1 90 90 LYS H H 90 8.335 8.335 8.394 -0.059 25434 8056 1 20 . 1 1 91 91 THR N N 91 121.268 121.268 115.642 5.626 25434 8057 1 20 . 1 1 91 91 THR HA H 91 4.453 4.453 4.266 0.187 25434 8058 1 20 . 1 1 91 91 THR CA C 91 61.956 61.956 62.212 -0.256 25434 8059 1 20 . 1 1 91 91 THR CB C 91 69.916 69.916 68.622 1.294 25434 8060 1 20 . 1 1 91 91 THR H H 91 8.047 8.047 8.126 -0.079 25434 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 79 2.652 -0.226 2.659 25434 2 1 1 "Average Difference" HA 80 0.332 -0.137 0.305 25434 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25434 4 1 1 "Average Difference" CA 86 1.173 -0.120 1.174 25434 5 1 1 "Average Difference" CB 79 1.411 -0.442 1.348 25434 6 1 1 "Average Difference" HN 79 0.476 -0.101 0.468 25434 7 1 2 "Average Difference" N 79 3.039 -0.160 3.054 25434 8 1 2 "Average Difference" HA 80 0.345 -0.139 0.318 25434 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25434 10 1 2 "Average Difference" CA 86 1.284 -0.037 1.291 25434 11 1 2 "Average Difference" CB 79 1.387 -0.389 1.339 25434 12 1 2 "Average Difference" HN 79 0.442 -0.133 0.424 25434 13 1 3 "Average Difference" N 79 2.684 -0.308 2.683 25434 14 1 3 "Average Difference" HA 80 0.336 -0.149 0.303 25434 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25434 16 1 3 "Average Difference" CA 86 1.209 0.006 1.216 25434 17 1 3 "Average Difference" CB 79 1.404 -0.380 1.361 25434 18 1 3 "Average Difference" HN 79 0.447 -0.146 0.426 25434 19 1 4 "Average Difference" N 79 2.680 -0.178 2.691 25434 20 1 4 "Average Difference" HA 80 0.343 -0.152 0.309 25434 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25434 22 1 4 "Average Difference" CA 86 1.292 -0.105 1.295 25434 23 1 4 "Average Difference" CB 79 1.342 -0.455 1.270 25434 24 1 4 "Average Difference" HN 79 0.463 -0.083 0.459 25434 25 1 5 "Average Difference" N 79 2.816 -0.513 2.787 25434 26 1 5 "Average Difference" HA 80 0.317 -0.124 0.293 25434 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25434 28 1 5 "Average Difference" CA 86 1.179 -0.030 1.185 25434 29 1 5 "Average Difference" CB 79 1.404 -0.379 1.361 25434 30 1 5 "Average Difference" HN 79 0.401 -0.032 0.402 25434 31 1 6 "Average Difference" N 79 2.809 -0.532 2.776 25434 32 1 6 "Average Difference" HA 80 0.328 -0.111 0.311 25434 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25434 34 1 6 "Average Difference" CA 86 1.285 -0.074 1.291 25434 35 1 6 "Average Difference" CB 79 1.267 -0.412 1.205 25434 36 1 6 "Average Difference" HN 79 0.416 -0.087 0.410 25434 37 1 7 "Average Difference" N 79 2.779 -0.102 2.794 25434 38 1 7 "Average Difference" HA 80 0.346 -0.152 0.313 25434 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25434 40 1 7 "Average Difference" CA 86 1.218 -0.108 1.220 25434 41 1 7 "Average Difference" CB 79 1.487 -0.610 1.364 25434 42 1 7 "Average Difference" HN 79 0.442 -0.097 0.434 25434 43 1 8 "Average Difference" N 79 2.741 -0.427 2.725 25434 44 1 8 "Average Difference" HA 80 0.325 -0.147 0.292 25434 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25434 46 1 8 "Average Difference" CA 86 1.253 -0.000 1.260 25434 47 1 8 "Average Difference" CB 79 1.429 -0.442 1.368 25434 48 1 8 "Average Difference" HN 79 0.413 -0.094 0.404 25434 49 1 9 "Average Difference" N 79 2.977 -0.311 2.980 25434 50 1 9 "Average Difference" HA 80 0.321 -0.096 0.308 25434 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25434 52 1 9 "Average Difference" CA 86 1.181 -0.111 1.183 25434 53 1 9 "Average Difference" CB 79 1.463 -0.255 1.450 25434 54 1 9 "Average Difference" HN 79 0.422 -0.106 0.411 25434 55 1 10 "Average Difference" N 79 3.127 -0.338 3.128 25434 56 1 10 "Average Difference" HA 80 0.316 -0.150 0.281 25434 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25434 58 1 10 "Average Difference" CA 86 1.248 -0.006 1.255 25434 59 1 10 "Average Difference" CB 79 1.362 -0.534 1.261 25434 60 1 10 "Average Difference" HN 79 0.477 -0.115 0.466 25434 61 1 11 "Average Difference" N 79 3.287 -0.658 3.241 25434 62 1 11 "Average Difference" HA 80 0.328 -0.152 0.292 25434 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25434 64 1 11 "Average Difference" CA 86 1.306 -0.092 1.310 25434 65 1 11 "Average Difference" CB 79 1.552 -0.435 1.499 25434 66 1 11 "Average Difference" HN 79 0.393 -0.092 0.385 25434 67 1 12 "Average Difference" N 79 2.733 -0.028 2.750 25434 68 1 12 "Average Difference" HA 80 0.308 -0.104 0.291 25434 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25434 70 1 12 "Average Difference" CA 86 1.105 -0.108 1.106 25434 71 1 12 "Average Difference" CB 79 1.313 -0.312 1.284 25434 72 1 12 "Average Difference" HN 79 0.471 -0.138 0.453 25434 73 1 13 "Average Difference" N 79 3.026 -0.130 3.043 25434 74 1 13 "Average Difference" HA 80 0.318 -0.150 0.282 25434 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25434 76 1 13 "Average Difference" CA 86 1.193 -0.052 1.199 25434 77 1 13 "Average Difference" CB 79 1.403 -0.485 1.325 25434 78 1 13 "Average Difference" HN 79 0.425 -0.125 0.409 25434 79 1 14 "Average Difference" N 79 2.399 -0.313 2.394 25434 80 1 14 "Average Difference" HA 80 0.320 -0.123 0.297 25434 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25434 82 1 14 "Average Difference" CA 86 1.232 -0.159 1.229 25434 83 1 14 "Average Difference" CB 79 1.438 -0.348 1.404 25434 84 1 14 "Average Difference" HN 79 0.381 -0.091 0.373 25434 85 1 15 "Average Difference" N 79 2.950 -0.108 2.967 25434 86 1 15 "Average Difference" HA 80 0.337 -0.148 0.305 25434 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25434 88 1 15 "Average Difference" CA 86 1.274 -0.127 1.275 25434 89 1 15 "Average Difference" CB 79 1.539 -0.623 1.417 25434 90 1 15 "Average Difference" HN 79 0.448 -0.143 0.427 25434 91 1 16 "Average Difference" N 79 2.797 -0.125 2.812 25434 92 1 16 "Average Difference" HA 80 0.314 -0.144 0.280 25434 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25434 94 1 16 "Average Difference" CA 86 1.153 -0.060 1.158 25434 95 1 16 "Average Difference" CB 79 1.403 -0.367 1.363 25434 96 1 16 "Average Difference" HN 79 0.439 -0.076 0.435 25434 97 1 17 "Average Difference" N 79 2.716 -0.326 2.713 25434 98 1 17 "Average Difference" HA 80 0.332 -0.132 0.306 25434 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25434 100 1 17 "Average Difference" CA 86 1.182 -0.180 1.175 25434 101 1 17 "Average Difference" CB 79 1.496 -0.459 1.433 25434 102 1 17 "Average Difference" HN 79 0.442 -0.079 0.438 25434 103 1 18 "Average Difference" N 79 2.954 -0.277 2.960 25434 104 1 18 "Average Difference" HA 80 0.355 -0.162 0.318 25434 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25434 106 1 18 "Average Difference" CA 86 1.146 -0.109 1.148 25434 107 1 18 "Average Difference" CB 79 1.459 -0.542 1.364 25434 108 1 18 "Average Difference" HN 79 0.452 -0.136 0.434 25434 109 1 19 "Average Difference" N 79 2.845 -0.153 2.859 25434 110 1 19 "Average Difference" HA 80 0.322 -0.141 0.291 25434 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25434 112 1 19 "Average Difference" CA 86 1.173 -0.072 1.177 25434 113 1 19 "Average Difference" CB 79 1.387 -0.429 1.328 25434 114 1 19 "Average Difference" HN 79 0.435 -0.086 0.429 25434 115 1 20 "Average Difference" N 79 2.722 -0.491 2.695 25434 116 1 20 "Average Difference" HA 80 0.344 -0.142 0.315 25434 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25434 118 1 20 "Average Difference" CA 86 1.268 -0.046 1.275 25434 119 1 20 "Average Difference" CB 79 1.410 -0.364 1.371 25434 120 1 20 "Average Difference" HN 79 0.473 -0.142 0.454 25434 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 25434 _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 5 5 GLU N N 5 123.289 123.289 122.148 1.141 25434 2 1 . 1 1 5 5 GLU HA H 5 4.534 4.534 4.340 0.194 25434 3 1 . 1 1 5 5 GLU CA C 5 63.240 63.240 56.715 6.524 25434 4 1 . 1 1 5 5 GLU CB C 5 32.225 32.225 30.006 2.219 25434 5 1 . 1 1 5 5 GLU H H 5 8.538 8.538 8.737 -0.199 25434 6 1 . 1 1 6 6 SER N N 6 115.506 115.506 113.977 1.529 25434 7 1 . 1 1 6 6 SER HA H 6 4.552 4.552 4.189 0.363 25434 8 1 . 1 1 6 6 SER CA C 6 58.231 58.231 58.443 -0.212 25434 9 1 . 1 1 6 6 SER CB C 6 64.028 64.028 62.757 1.271 25434 10 1 . 1 1 6 6 SER H H 6 8.435 8.435 8.258 0.177 25434 11 1 . 1 1 7 7 TYR N N 7 121.104 121.104 120.307 0.797 25434 12 1 . 1 1 7 7 TYR HA H 7 4.742 4.742 4.549 0.193 25434 13 1 . 1 1 7 7 TYR CA C 7 57.611 57.611 58.093 -0.482 25434 14 1 . 1 1 7 7 TYR CB C 7 39.176 39.176 38.875 0.301 25434 15 1 . 1 1 7 7 TYR H H 7 8.137 8.137 7.936 0.201 25434 16 1 . 1 1 8 8 SER N N 8 116.875 116.875 117.119 -0.244 25434 17 1 . 1 1 8 8 SER HA H 8 4.539 4.539 4.379 0.160 25434 18 1 . 1 1 8 8 SER CA C 8 58.327 58.327 58.262 0.065 25434 19 1 . 1 1 8 8 SER CB C 8 63.958 63.958 63.496 0.462 25434 20 1 . 1 1 8 8 SER H H 8 8.364 8.364 8.223 0.141 25434 21 1 . 1 1 9 9 GLN N N 9 120.999 120.999 120.393 0.607 25434 22 1 . 1 1 9 9 GLN HA H 9 4.443 4.443 4.388 0.055 25434 23 1 . 1 1 9 9 GLN CA C 9 56.678 56.678 56.364 0.314 25434 24 1 . 1 1 9 9 GLN CB C 9 30.372 30.372 29.838 0.534 25434 25 1 . 1 1 9 9 GLN H H 9 8.414 8.414 8.177 0.237 25434 26 1 . 1 1 10 10 TYR N N 10 121.815 121.815 119.741 2.074 25434 27 1 . 1 1 10 10 TYR HA H 10 4.974 4.974 4.886 0.088 25434 28 1 . 1 1 10 10 TYR CA C 10 56.383 56.383 56.589 -0.206 25434 29 1 . 1 1 10 10 TYR CB C 10 40.009 40.009 39.146 0.863 25434 30 1 . 1 1 10 10 TYR H H 10 8.549 8.549 8.296 0.253 25434 31 1 . 1 1 11 11 PRO HA H 11 4.616 4.616 4.499 0.117 25434 32 1 . 1 1 11 11 PRO CA C 11 61.999 61.999 62.640 -0.641 25434 33 1 . 1 1 11 11 PRO CB C 11 32.203 32.203 32.645 -0.442 25434 34 1 . 1 1 12 12 VAL N N 12 120.450 120.450 119.071 1.379 25434 35 1 . 1 1 12 12 VAL HA H 12 3.800 3.800 4.241 -0.441 25434 36 1 . 1 1 12 12 VAL CA C 12 60.457 60.457 59.876 0.581 25434 37 1 . 1 1 12 12 VAL CB C 12 32.251 32.251 31.595 0.656 25434 38 1 . 1 1 12 12 VAL H H 12 8.074 8.074 8.308 -0.234 25434 39 1 . 1 1 13 13 PRO HA H 13 4.018 4.018 4.523 -0.505 25434 40 1 . 1 1 13 13 PRO CA C 13 63.180 63.180 62.504 0.676 25434 41 1 . 1 1 13 13 PRO CB C 13 32.632 32.632 32.862 -0.230 25434 42 1 . 1 1 14 14 ASP N N 14 120.579 120.579 118.862 1.717 25434 43 1 . 1 1 14 14 ASP HA H 14 4.711 4.711 4.560 0.151 25434 44 1 . 1 1 14 14 ASP CA C 14 52.074 52.074 52.673 -0.599 25434 45 1 . 1 1 14 14 ASP CB C 14 41.050 41.050 43.509 -2.459 25434 46 1 . 1 1 14 14 ASP H H 14 8.148 8.148 8.181 -0.033 25434 47 1 . 1 1 15 15 VAL N N 15 120.884 120.884 123.935 -3.051 25434 48 1 . 1 1 15 15 VAL HA H 15 2.170 2.170 1.936 0.234 25434 49 1 . 1 1 15 15 VAL CA C 15 62.769 62.769 63.583 -0.814 25434 50 1 . 1 1 15 15 VAL CB C 15 30.897 30.897 31.254 -0.357 25434 51 1 . 1 1 15 15 VAL H H 15 8.161 8.161 8.219 -0.058 25434 52 1 . 1 1 16 16 SER N N 16 116.885 116.885 115.154 1.731 25434 53 1 . 1 1 16 16 SER HA H 16 4.294 4.294 4.167 0.127 25434 54 1 . 1 1 16 16 SER CA C 16 61.011 61.011 60.499 0.512 25434 55 1 . 1 1 16 16 SER CB C 16 63.004 63.004 62.837 0.167 25434 56 1 . 1 1 16 16 SER H H 16 8.139 8.139 8.292 -0.153 25434 57 1 . 1 1 17 17 THR N N 17 110.397 110.397 112.552 -2.155 25434 58 1 . 1 1 17 17 THR HA H 17 4.558 4.558 4.428 0.130 25434 59 1 . 1 1 17 17 THR CA C 17 61.987 61.987 61.712 0.275 25434 60 1 . 1 1 17 17 THR CB C 17 70.459 70.459 69.572 0.887 25434 61 1 . 1 1 17 17 THR H H 17 7.549 7.549 7.384 0.165 25434 62 1 . 1 1 18 18 TYR N N 18 120.956 120.956 121.690 -0.734 25434 63 1 . 1 1 18 18 TYR HA H 18 5.168 5.168 4.608 0.560 25434 64 1 . 1 1 18 18 TYR CA C 18 54.823 54.823 56.760 -1.937 25434 65 1 . 1 1 18 18 TYR CB C 18 37.740 37.740 39.312 -1.572 25434 66 1 . 1 1 18 18 TYR H H 18 7.365 7.365 7.584 -0.219 25434 67 1 . 1 1 19 19 GLN N N 19 119.670 119.670 119.868 -0.198 25434 68 1 . 1 1 19 19 GLN HA H 19 5.052 5.052 4.731 0.322 25434 69 1 . 1 1 19 19 GLN CA C 19 54.386 54.386 54.524 -0.138 25434 70 1 . 1 1 19 19 GLN CB C 19 31.447 31.447 30.753 0.694 25434 71 1 . 1 1 19 19 GLN H H 19 9.372 9.372 8.758 0.614 25434 72 1 . 1 1 20 20 TYR N N 20 126.395 126.395 127.603 -1.208 25434 73 1 . 1 1 20 20 TYR HA H 20 4.102 4.102 4.378 -0.276 25434 74 1 . 1 1 20 20 TYR CA C 20 59.374 59.374 59.119 0.255 25434 75 1 . 1 1 20 20 TYR CB C 20 39.026 39.026 39.163 -0.137 25434 76 1 . 1 1 20 20 TYR H H 20 9.433 9.433 8.978 0.455 25434 77 1 . 1 1 21 21 ASP N N 21 128.962 128.962 126.516 2.446 25434 78 1 . 1 1 21 21 ASP HA H 21 4.880 4.880 4.839 0.041 25434 79 1 . 1 1 21 21 ASP CA C 21 52.333 52.333 52.959 -0.626 25434 80 1 . 1 1 21 21 ASP CB C 21 42.332 42.332 41.826 0.506 25434 81 1 . 1 1 21 21 ASP H H 21 8.128 8.128 8.053 0.075 25434 82 1 . 1 1 22 22 GLU N N 22 124.636 124.636 123.373 1.263 25434 83 1 . 1 1 22 22 GLU HA H 22 3.798 3.798 3.816 -0.018 25434 84 1 . 1 1 22 22 GLU CA C 22 58.633 58.633 58.593 0.040 25434 85 1 . 1 1 22 22 GLU CB C 22 29.712 29.712 29.071 0.641 25434 86 1 . 1 1 22 22 GLU H H 22 8.768 8.768 8.674 0.094 25434 87 1 . 1 1 23 23 THR N N 23 112.402 112.402 113.187 -0.785 25434 88 1 . 1 1 23 23 THR HA H 23 4.045 4.045 4.097 -0.052 25434 89 1 . 1 1 23 23 THR CA C 23 65.526 65.526 64.241 1.285 25434 90 1 . 1 1 23 23 THR CB C 23 68.434 68.434 69.046 -0.612 25434 91 1 . 1 1 23 23 THR H H 23 8.031 8.031 7.993 0.038 25434 92 1 . 1 1 24 24 SER N N 24 113.712 113.712 113.903 -0.191 25434 93 1 . 1 1 24 24 SER HA H 24 4.327 4.327 4.540 -0.213 25434 94 1 . 1 1 24 24 SER CA C 24 59.046 59.046 58.542 0.504 25434 95 1 . 1 1 24 24 SER CB C 24 65.024 65.024 65.634 -0.610 25434 96 1 . 1 1 24 24 SER H H 24 7.503 7.503 7.761 -0.258 25434 97 1 . 1 1 25 25 GLY N N 25 111.227 111.227 109.830 1.397 25434 98 1 . 1 1 25 25 GLY CA C 25 45.627 45.627 45.349 0.278 25434 99 1 . 1 1 25 25 GLY H H 25 8.304 8.304 8.131 0.173 25434 100 1 . 1 1 26 26 TYR N N 26 117.907 117.907 118.158 -0.251 25434 101 1 . 1 1 26 26 TYR HA H 26 5.387 5.387 4.816 0.571 25434 102 1 . 1 1 26 26 TYR CA C 26 55.006 55.006 57.299 -2.293 25434 103 1 . 1 1 26 26 TYR CB C 26 40.743 40.743 41.397 -0.654 25434 104 1 . 1 1 26 26 TYR H H 26 7.951 7.951 7.285 0.666 25434 105 1 . 1 1 27 27 TYR N N 27 116.474 116.474 117.168 -0.694 25434 106 1 . 1 1 27 27 TYR HA H 27 5.358 5.358 5.141 0.217 25434 107 1 . 1 1 27 27 TYR CA C 27 58.243 58.243 57.428 0.815 25434 108 1 . 1 1 27 27 TYR CB C 27 41.412 41.412 40.894 0.518 25434 109 1 . 1 1 27 27 TYR H H 27 9.253 9.253 9.361 -0.108 25434 110 1 . 1 1 28 28 TYR N N 28 122.756 122.756 123.605 -0.849 25434 111 1 . 1 1 28 28 TYR HA H 28 4.778 4.778 4.319 0.459 25434 112 1 . 1 1 28 28 TYR CA C 28 56.983 56.983 55.655 1.328 25434 113 1 . 1 1 28 28 TYR CB C 28 41.995 41.995 41.451 0.544 25434 114 1 . 1 1 28 28 TYR H H 28 9.686 9.686 9.334 0.352 25434 115 1 . 1 1 29 29 ASP N N 29 125.994 125.994 126.269 -0.275 25434 116 1 . 1 1 29 29 ASP HA H 29 4.752 4.752 4.268 0.484 25434 117 1 . 1 1 29 29 ASP CA C 29 49.202 49.202 49.908 -0.706 25434 118 1 . 1 1 29 29 ASP CB C 29 42.165 42.165 40.982 1.183 25434 119 1 . 1 1 29 29 ASP H H 29 7.954 7.954 8.079 -0.125 25434 120 1 . 1 1 30 30 PRO HA H 30 4.070 4.070 3.941 0.129 25434 121 1 . 1 1 30 30 PRO CA C 30 63.608 63.608 64.154 -0.545 25434 122 1 . 1 1 30 30 PRO CB C 30 32.592 32.592 31.758 0.834 25434 123 1 . 1 1 31 31 GLN N N 31 115.244 115.244 117.479 -2.235 25434 124 1 . 1 1 31 31 GLN HA H 31 4.232 4.232 4.152 0.080 25434 125 1 . 1 1 31 31 GLN CA C 31 58.517 58.517 57.871 0.646 25434 126 1 . 1 1 31 31 GLN CB C 31 29.305 29.305 29.070 0.235 25434 127 1 . 1 1 31 31 GLN H H 31 7.989 7.989 8.294 -0.305 25434 128 1 . 1 1 32 32 THR N N 32 104.641 104.641 106.977 -2.337 25434 129 1 . 1 1 32 32 THR HA H 32 4.332 4.332 4.477 -0.145 25434 130 1 . 1 1 32 32 THR CA C 32 61.768 61.768 62.128 -0.360 25434 131 1 . 1 1 32 32 THR CB C 32 71.212 71.212 71.572 -0.360 25434 132 1 . 1 1 32 32 THR H H 32 6.765 6.765 7.785 -1.020 25434 133 1 . 1 1 33 33 GLY N N 33 111.318 111.318 111.197 0.121 25434 134 1 . 1 1 33 33 GLY CA C 33 45.527 45.527 45.214 0.313 25434 135 1 . 1 1 33 33 GLY H H 33 8.439 8.439 8.165 0.274 25434 136 1 . 1 1 34 34 LEU N N 34 118.537 118.537 118.609 -0.072 25434 137 1 . 1 1 34 34 LEU HA H 34 4.601 4.601 4.728 -0.127 25434 138 1 . 1 1 34 34 LEU CA C 34 54.021 54.021 54.045 -0.024 25434 139 1 . 1 1 34 34 LEU CB C 34 44.529 44.529 43.325 1.204 25434 140 1 . 1 1 34 34 LEU H H 34 7.422 7.422 7.122 0.300 25434 141 1 . 1 1 35 35 TYR N N 35 116.166 116.166 115.970 0.196 25434 142 1 . 1 1 35 35 TYR HA H 35 5.522 5.522 5.286 0.236 25434 143 1 . 1 1 35 35 TYR CA C 35 57.246 57.246 57.149 0.097 25434 144 1 . 1 1 35 35 TYR CB C 35 40.876 40.876 42.232 -1.356 25434 145 1 . 1 1 35 35 TYR H H 35 8.692 8.692 8.760 -0.068 25434 146 1 . 1 1 36 36 TYR N N 36 121.442 121.442 120.708 0.734 25434 147 1 . 1 1 36 36 TYR HA H 36 4.956 4.956 4.639 0.317 25434 148 1 . 1 1 36 36 TYR CA C 36 56.977 56.977 57.020 -0.043 25434 149 1 . 1 1 36 36 TYR CB C 36 42.714 42.714 42.473 0.241 25434 150 1 . 1 1 36 36 TYR H H 36 9.745 9.745 9.391 0.354 25434 151 1 . 1 1 37 37 ASP N N 37 127.129 127.129 122.479 4.650 25434 152 1 . 1 1 37 37 ASP HA H 37 5.241 5.241 4.931 0.310 25434 153 1 . 1 1 37 37 ASP CA C 37 49.282 49.282 49.620 -0.338 25434 154 1 . 1 1 37 37 ASP CB C 37 42.859 42.859 44.264 -1.405 25434 155 1 . 1 1 37 37 ASP H H 37 8.029 8.029 7.414 0.615 25434 156 1 . 1 1 38 38 PRO HA H 38 4.079 4.079 4.387 -0.308 25434 157 1 . 1 1 38 38 PRO CA C 38 63.729 63.729 64.437 -0.708 25434 158 1 . 1 1 38 38 PRO CB C 38 32.488 32.488 32.501 -0.013 25434 159 1 . 1 1 39 39 ASN N N 39 115.838 115.838 116.309 -0.471 25434 160 1 . 1 1 39 39 ASN HA H 39 4.678 4.678 4.643 0.035 25434 161 1 . 1 1 39 39 ASN CA C 39 55.719 55.719 54.447 1.272 25434 162 1 . 1 1 39 39 ASN CB C 39 38.987 38.987 39.902 -0.915 25434 163 1 . 1 1 39 39 ASN H H 39 8.232 8.232 8.576 -0.344 25434 164 1 . 1 1 40 40 SER N N 40 112.476 112.476 115.482 -3.006 25434 165 1 . 1 1 40 40 SER HA H 40 4.346 4.346 4.612 -0.266 25434 166 1 . 1 1 40 40 SER CA C 40 58.832 58.832 57.144 1.688 25434 167 1 . 1 1 40 40 SER CB C 40 64.576 64.576 63.724 0.852 25434 168 1 . 1 1 40 40 SER H H 40 7.371 7.371 7.996 -0.625 25434 169 1 . 1 1 41 41 GLN N N 41 114.329 114.329 122.581 -8.252 25434 170 1 . 1 1 41 41 GLN HA H 41 3.780 3.780 3.853 -0.073 25434 171 1 . 1 1 41 41 GLN CA C 41 58.162 58.162 56.503 1.659 25434 172 1 . 1 1 41 41 GLN CB C 41 25.977 25.977 28.562 -2.585 25434 173 1 . 1 1 41 41 GLN H H 41 8.203 8.203 8.514 -0.311 25434 174 1 . 1 1 42 42 TYR N N 42 115.202 115.202 118.225 -3.023 25434 175 1 . 1 1 42 42 TYR HA H 42 5.521 5.521 4.840 0.681 25434 176 1 . 1 1 42 42 TYR CA C 42 56.636 56.636 57.317 -0.681 25434 177 1 . 1 1 42 42 TYR CB C 42 40.381 40.381 37.149 3.232 25434 178 1 . 1 1 42 42 TYR H H 42 7.621 7.621 7.356 0.265 25434 179 1 . 1 1 43 43 TYR N N 43 118.608 118.608 124.088 -5.480 25434 180 1 . 1 1 43 43 TYR HA H 43 5.695 5.695 4.707 0.988 25434 181 1 . 1 1 43 43 TYR CA C 43 57.321 57.321 59.119 -1.798 25434 182 1 . 1 1 43 43 TYR CB C 43 41.858 41.858 39.299 2.559 25434 183 1 . 1 1 43 43 TYR H H 43 9.724 9.724 8.954 0.770 25434 184 1 . 1 1 44 44 TYR N N 44 121.727 121.727 124.538 -2.811 25434 185 1 . 1 1 44 44 TYR HA H 44 5.182 5.182 4.731 0.451 25434 186 1 . 1 1 44 44 TYR CA C 44 56.548 56.548 56.451 0.097 25434 187 1 . 1 1 44 44 TYR CB C 44 42.263 42.263 40.017 2.246 25434 188 1 . 1 1 44 44 TYR H H 44 9.594 9.594 9.348 0.245 25434 189 1 . 1 1 45 45 ASN N N 45 125.423 125.423 126.939 -1.516 25434 190 1 . 1 1 45 45 ASN HA H 45 5.005 5.005 4.730 0.275 25434 191 1 . 1 1 45 45 ASN CA C 45 50.920 50.920 50.704 0.216 25434 192 1 . 1 1 45 45 ASN CB C 45 39.271 39.271 38.262 1.009 25434 193 1 . 1 1 45 45 ASN H H 45 8.244 8.244 8.696 -0.452 25434 194 1 . 1 1 46 46 ALA N N 46 126.039 126.039 127.372 -1.333 25434 195 1 . 1 1 46 46 ALA HA H 46 3.777 3.777 3.492 0.285 25434 196 1 . 1 1 46 46 ALA CA C 46 53.773 53.773 54.623 -0.850 25434 197 1 . 1 1 46 46 ALA CB C 46 19.155 19.155 18.425 0.730 25434 198 1 . 1 1 46 46 ALA H H 46 8.974 8.974 8.057 0.917 25434 199 1 . 1 1 47 47 GLN N N 47 116.850 116.850 118.291 -1.441 25434 200 1 . 1 1 47 47 GLN HA H 47 4.294 4.294 4.069 0.225 25434 201 1 . 1 1 47 47 GLN CA C 47 58.628 58.628 58.239 0.389 25434 202 1 . 1 1 47 47 GLN CB C 47 28.523 28.523 28.942 -0.419 25434 203 1 . 1 1 47 47 GLN H H 47 8.349 8.349 8.490 -0.141 25434 204 1 . 1 1 48 48 SER N N 48 111.872 111.872 111.250 0.622 25434 205 1 . 1 1 48 48 SER HA H 48 4.474 4.474 4.617 -0.143 25434 206 1 . 1 1 48 48 SER CA C 48 57.580 57.580 58.034 -0.454 25434 207 1 . 1 1 48 48 SER CB C 48 64.262 64.262 64.407 -0.145 25434 208 1 . 1 1 48 48 SER H H 48 7.544 7.544 7.678 -0.134 25434 209 1 . 1 1 49 49 GLN N N 49 118.063 118.063 116.921 1.142 25434 210 1 . 1 1 49 49 GLN HA H 49 3.721 3.721 3.767 -0.046 25434 211 1 . 1 1 49 49 GLN CA C 49 57.175 57.175 57.207 -0.032 25434 212 1 . 1 1 49 49 GLN CB C 49 25.933 25.933 26.604 -0.671 25434 213 1 . 1 1 49 49 GLN H H 49 7.969 7.969 7.755 0.214 25434 214 1 . 1 1 50 50 GLN N N 50 116.254 116.254 116.985 -0.731 25434 215 1 . 1 1 50 50 GLN HA H 50 4.819 4.819 4.654 0.165 25434 216 1 . 1 1 50 50 GLN CA C 50 54.501 54.501 54.455 0.046 25434 217 1 . 1 1 50 50 GLN CB C 50 33.410 33.410 31.446 1.964 25434 218 1 . 1 1 50 50 GLN H H 50 7.180 7.180 7.477 -0.297 25434 219 1 . 1 1 51 51 TYR N N 51 121.463 121.463 120.131 1.332 25434 220 1 . 1 1 51 51 TYR HA H 51 5.680 5.680 5.563 0.117 25434 221 1 . 1 1 51 51 TYR CA C 51 58.170 58.170 57.148 1.022 25434 222 1 . 1 1 51 51 TYR CB C 51 40.066 40.066 40.401 -0.335 25434 223 1 . 1 1 51 51 TYR H H 51 8.931 8.931 8.743 0.188 25434 224 1 . 1 1 52 52 LEU N N 52 122.429 122.429 122.118 0.311 25434 225 1 . 1 1 52 52 LEU HA H 52 5.548 5.548 5.492 0.056 25434 226 1 . 1 1 52 52 LEU CA C 52 54.433 54.433 53.370 1.063 25434 227 1 . 1 1 52 52 LEU CB C 52 48.049 48.049 46.569 1.480 25434 228 1 . 1 1 52 52 LEU H H 52 9.726 9.726 9.159 0.567 25434 229 1 . 1 1 53 53 TYR N N 53 117.639 117.639 114.403 3.236 25434 230 1 . 1 1 53 53 TYR HA H 53 5.877 5.877 5.449 0.428 25434 231 1 . 1 1 53 53 TYR CA C 53 55.717 55.717 55.811 -0.094 25434 232 1 . 1 1 53 53 TYR CB C 53 42.127 42.127 41.656 0.471 25434 233 1 . 1 1 53 53 TYR H H 53 9.533 9.533 9.111 0.422 25434 234 1 . 1 1 54 54 TRP N N 54 122.206 122.206 124.186 -1.980 25434 235 1 . 1 1 54 54 TRP HA H 54 4.506 4.506 4.363 0.143 25434 236 1 . 1 1 54 54 TRP CA C 54 56.813 56.813 56.695 0.117 25434 237 1 . 1 1 54 54 TRP CB C 54 30.348 30.348 30.464 -0.116 25434 238 1 . 1 1 54 54 TRP H H 54 9.253 9.253 9.246 0.007 25434 239 1 . 1 1 55 55 ASP N N 55 128.978 128.978 127.434 1.544 25434 240 1 . 1 1 55 55 ASP HA H 55 4.695 4.695 4.607 0.088 25434 241 1 . 1 1 55 55 ASP CA C 55 51.883 51.883 52.477 -0.594 25434 242 1 . 1 1 55 55 ASP CB C 55 42.843 42.843 41.478 1.364 25434 243 1 . 1 1 55 55 ASP H H 55 8.031 8.031 7.637 0.393 25434 244 1 . 1 1 56 56 GLY N N 56 111.521 111.521 111.153 0.368 25434 245 1 . 1 1 56 56 GLY CA C 56 46.775 46.775 46.088 0.687 25434 246 1 . 1 1 56 56 GLY H H 56 8.548 8.548 8.228 0.320 25434 247 1 . 1 1 57 57 GLU N N 57 120.202 120.202 119.582 0.620 25434 248 1 . 1 1 57 57 GLU HA H 57 4.293 4.293 4.080 0.213 25434 249 1 . 1 1 57 57 GLU CA C 57 58.318 58.318 58.257 0.061 25434 250 1 . 1 1 57 57 GLU CB C 57 29.883 29.883 29.550 0.333 25434 251 1 . 1 1 57 57 GLU H H 57 8.188 8.188 8.005 0.182 25434 252 1 . 1 1 58 58 ARG N N 58 116.912 116.912 116.395 0.517 25434 253 1 . 1 1 58 58 ARG HA H 58 4.131 4.131 4.376 -0.245 25434 254 1 . 1 1 58 58 ARG CA C 58 56.442 56.442 55.470 0.972 25434 255 1 . 1 1 58 58 ARG CB C 58 31.887 31.887 31.142 0.745 25434 256 1 . 1 1 58 58 ARG H H 58 7.636 7.636 7.638 -0.002 25434 257 1 . 1 1 59 59 ARG N N 59 116.563 116.563 117.181 -0.618 25434 258 1 . 1 1 59 59 ARG HA H 59 3.237 3.237 3.380 -0.143 25434 259 1 . 1 1 59 59 ARG CA C 59 56.732 56.732 56.826 -0.094 25434 260 1 . 1 1 59 59 ARG CB C 59 26.634 26.634 27.417 -0.783 25434 261 1 . 1 1 59 59 ARG H H 59 7.878 7.878 7.649 0.229 25434 262 1 . 1 1 60 60 THR N N 60 109.170 109.170 110.682 -1.512 25434 263 1 . 1 1 60 60 THR HA H 60 4.516 4.516 4.587 -0.071 25434 264 1 . 1 1 60 60 THR CA C 60 60.050 60.050 59.643 0.407 25434 265 1 . 1 1 60 60 THR CB C 60 69.758 69.758 71.396 -1.638 25434 266 1 . 1 1 60 60 THR H H 60 6.591 6.591 6.957 -0.366 25434 267 1 . 1 1 61 61 TYR N N 61 120.491 120.491 121.305 -0.814 25434 268 1 . 1 1 61 61 TYR HA H 61 5.075 5.075 5.125 -0.050 25434 269 1 . 1 1 61 61 TYR CA C 61 57.393 57.393 56.878 0.514 25434 270 1 . 1 1 61 61 TYR CB C 61 40.381 40.381 39.649 0.732 25434 271 1 . 1 1 61 61 TYR H H 61 7.474 7.474 8.208 -0.734 25434 272 1 . 1 1 62 62 VAL N N 62 123.115 123.115 118.472 4.643 25434 273 1 . 1 1 62 62 VAL HA H 62 4.644 4.644 4.663 -0.019 25434 274 1 . 1 1 62 62 VAL CA C 62 58.610 58.610 57.788 0.823 25434 275 1 . 1 1 62 62 VAL CB C 62 34.418 34.418 33.971 0.447 25434 276 1 . 1 1 62 62 VAL H H 62 9.176 9.176 8.557 0.619 25434 277 1 . 1 1 63 63 PRO HA H 63 4.764 4.764 4.744 0.020 25434 278 1 . 1 1 63 63 PRO CA C 63 63.641 63.641 62.449 1.192 25434 279 1 . 1 1 63 63 PRO CB C 63 32.558 32.558 31.791 0.767 25434 280 1 . 1 1 64 64 ALA N N 64 126.032 126.032 127.220 -1.188 25434 281 1 . 1 1 64 64 ALA HA H 64 4.645 4.645 4.565 0.080 25434 282 1 . 1 1 64 64 ALA CA C 64 52.126 52.126 52.251 -0.125 25434 283 1 . 1 1 64 64 ALA CB C 64 19.752 19.752 19.025 0.727 25434 284 1 . 1 1 64 64 ALA H H 64 8.708 8.708 8.512 0.196 25434 285 1 . 1 1 65 65 LEU N N 65 120.884 120.884 119.216 1.668 25434 286 1 . 1 1 65 65 LEU HA H 65 4.491 4.491 4.130 0.360 25434 287 1 . 1 1 65 65 LEU CA C 65 55.656 55.656 56.496 -0.840 25434 288 1 . 1 1 65 65 LEU CB C 65 42.638 42.638 41.643 0.995 25434 289 1 . 1 1 65 65 LEU H H 65 8.469 8.469 7.941 0.528 25434 290 1 . 1 1 66 66 GLU N N 66 115.912 115.912 117.973 -2.061 25434 291 1 . 1 1 66 66 GLU HA H 66 4.546 4.546 4.140 0.406 25434 292 1 . 1 1 66 66 GLU CA C 66 55.780 55.780 57.266 -1.486 25434 293 1 . 1 1 66 66 GLU CB C 66 33.027 33.027 30.018 3.009 25434 294 1 . 1 1 66 66 GLU H H 66 8.328 8.328 8.420 -0.092 25434 295 1 . 1 1 67 67 GLN N N 67 120.380 120.380 117.614 2.766 25434 296 1 . 1 1 67 67 GLN HA H 67 4.482 4.482 4.121 0.361 25434 297 1 . 1 1 67 67 GLN CA C 67 55.771 55.771 56.721 -0.950 25434 298 1 . 1 1 67 67 GLN CB C 67 29.740 29.740 28.194 1.546 25434 299 1 . 1 1 67 67 GLN H H 67 8.478 8.478 8.398 0.080 25434 300 1 . 1 1 68 68 SER N N 68 116.287 116.287 113.777 2.510 25434 301 1 . 1 1 68 68 SER HA H 68 4.575 4.575 4.403 0.172 25434 302 1 . 1 1 68 68 SER CA C 68 58.309 58.309 58.269 0.040 25434 303 1 . 1 1 68 68 SER CB C 68 64.119 64.119 63.612 0.507 25434 304 1 . 1 1 68 68 SER H H 68 8.370 8.370 8.193 0.177 25434 305 1 . 1 1 69 69 ALA N N 69 125.968 125.968 125.306 0.662 25434 306 1 . 1 1 69 69 ALA HA H 69 4.443 4.443 4.219 0.224 25434 307 1 . 1 1 69 69 ALA CA C 69 52.982 52.982 52.523 0.459 25434 308 1 . 1 1 69 69 ALA CB C 69 19.365 19.365 18.883 0.482 25434 309 1 . 1 1 69 69 ALA H H 69 8.533 8.533 8.132 0.401 25434 310 1 . 1 1 70 70 ASP N N 70 118.262 118.262 120.739 -2.477 25434 311 1 . 1 1 70 70 ASP HA H 70 4.682 4.682 4.627 0.055 25434 312 1 . 1 1 70 70 ASP CA C 70 54.469 54.469 54.493 -0.024 25434 313 1 . 1 1 70 70 ASP CB C 70 41.379 41.379 41.381 -0.002 25434 314 1 . 1 1 70 70 ASP H H 70 8.300 8.300 8.431 -0.131 25434 315 1 . 1 1 71 71 GLY N N 71 108.495 108.495 108.970 -0.475 25434 316 1 . 1 1 71 71 GLY CA C 71 45.822 45.822 45.271 0.551 25434 317 1 . 1 1 71 71 GLY H H 71 8.291 8.291 8.169 0.122 25434 318 1 . 1 1 72 72 HIS N N 72 118.240 118.240 118.580 -0.340 25434 319 1 . 1 1 72 72 HIS HA H 72 4.767 4.767 4.436 0.331 25434 320 1 . 1 1 72 72 HIS CA C 72 55.846 55.846 56.699 -0.853 25434 321 1 . 1 1 72 72 HIS CB C 72 29.363 29.363 29.525 -0.162 25434 322 1 . 1 1 72 72 HIS H H 72 8.354 8.354 8.451 -0.097 25434 323 1 . 1 1 73 73 LYS N N 73 121.591 121.591 119.372 2.219 25434 324 1 . 1 1 73 73 LYS HA H 73 4.443 4.443 4.426 0.017 25434 325 1 . 1 1 73 73 LYS CA C 73 56.601 56.601 55.735 0.866 25434 326 1 . 1 1 73 73 LYS CB C 73 33.133 33.133 33.385 -0.252 25434 327 1 . 1 1 73 73 LYS H H 73 8.457 8.457 7.911 0.546 25434 328 1 . 1 1 74 74 GLU N N 74 122.169 122.169 120.878 1.291 25434 329 1 . 1 1 74 74 GLU HA H 74 4.494 4.494 4.334 0.160 25434 330 1 . 1 1 74 74 GLU CA C 74 56.565 56.565 56.847 -0.282 25434 331 1 . 1 1 74 74 GLU CB C 74 30.327 30.327 30.434 -0.107 25434 332 1 . 1 1 74 74 GLU H H 74 8.669 8.669 8.628 0.041 25434 333 1 . 1 1 75 75 THR N N 75 114.560 114.560 113.185 1.375 25434 334 1 . 1 1 75 75 THR HA H 75 4.463 4.463 4.103 0.360 25434 335 1 . 1 1 75 75 THR CA C 75 61.998 61.998 63.833 -1.835 25434 336 1 . 1 1 75 75 THR CB C 75 69.901 69.901 68.865 1.036 25434 337 1 . 1 1 75 75 THR H H 75 8.313 8.313 8.400 -0.087 25434 338 1 . 1 1 76 76 GLY N N 76 110.986 110.986 108.569 2.417 25434 339 1 . 1 1 76 76 GLY CA C 76 45.394 45.394 44.887 0.507 25434 340 1 . 1 1 76 76 GLY H H 76 8.493 8.493 7.838 0.655 25434 341 1 . 1 1 77 77 ALA N N 77 123.316 123.316 123.151 0.165 25434 342 1 . 1 1 77 77 ALA HA H 77 4.634 4.634 4.565 0.069 25434 343 1 . 1 1 77 77 ALA CA C 77 50.611 50.611 50.662 -0.051 25434 344 1 . 1 1 77 77 ALA CB C 77 18.471 18.471 19.252 -0.781 25434 345 1 . 1 1 77 77 ALA H H 77 8.025 8.025 7.989 0.036 25434 346 1 . 1 1 78 78 PRO HA H 78 4.728 4.728 4.445 0.283 25434 347 1 . 1 1 78 78 PRO CA C 78 62.969 62.969 63.022 -0.052 25434 348 1 . 1 1 79 79 SER N N 79 116.876 116.876 116.224 0.652 25434 349 1 . 1 1 79 79 SER HA H 79 4.543 4.543 4.382 0.161 25434 350 1 . 1 1 79 79 SER CA C 79 58.548 58.548 58.760 -0.212 25434 351 1 . 1 1 79 79 SER CB C 79 63.972 63.972 63.216 0.756 25434 352 1 . 1 1 79 79 SER H H 79 8.627 8.627 8.323 0.303 25434 353 1 . 1 1 80 80 LYS N N 80 122.282 122.282 121.159 1.123 25434 354 1 . 1 1 80 80 LYS HA H 80 4.397 4.397 4.367 0.030 25434 355 1 . 1 1 80 80 LYS CA C 80 56.628 56.628 56.572 0.056 25434 356 1 . 1 1 80 80 LYS CB C 80 33.268 33.268 32.852 0.416 25434 357 1 . 1 1 80 80 LYS H H 80 8.359 8.359 8.255 0.104 25434 358 1 . 1 1 81 81 GLU N N 81 121.390 121.390 118.465 2.925 25434 359 1 . 1 1 81 81 GLU HA H 81 4.387 4.387 4.297 0.090 25434 360 1 . 1 1 81 81 GLU CA C 81 56.773 56.773 56.669 0.104 25434 361 1 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.655 0.719 25434 362 1 . 1 1 81 81 GLU H H 81 8.521 8.521 8.171 0.350 25434 363 1 . 1 1 82 82 GLY N N 82 109.657 109.657 109.637 0.020 25434 364 1 . 1 1 82 82 GLY CA C 82 45.733 45.733 45.578 0.155 25434 365 1 . 1 1 82 82 GLY H H 82 8.491 8.491 8.397 0.094 25434 366 1 . 1 1 83 83 LYS N N 83 120.424 120.424 120.812 -0.388 25434 367 1 . 1 1 83 83 LYS HA H 83 4.395 4.395 4.343 0.052 25434 368 1 . 1 1 83 83 LYS CA C 83 56.900 56.900 56.459 0.441 25434 369 1 . 1 1 83 83 LYS CB C 83 33.222 33.222 32.351 0.871 25434 370 1 . 1 1 83 83 LYS H H 83 8.237 8.237 8.289 -0.052 25434 371 1 . 1 1 84 84 GLU N N 84 120.758 120.758 119.046 1.712 25434 372 1 . 1 1 84 84 GLU HA H 84 4.378 4.378 4.161 0.217 25434 373 1 . 1 1 84 84 GLU CA C 84 56.735 56.735 58.321 -1.586 25434 374 1 . 1 1 84 84 GLU CB C 84 30.602 30.602 29.355 1.247 25434 375 1 . 1 1 84 84 GLU H H 84 8.571 8.571 8.393 0.178 25434 376 1 . 1 1 85 85 LYS N N 85 122.155 122.155 117.171 4.984 25434 377 1 . 1 1 85 85 LYS HA H 85 4.411 4.411 4.359 0.052 25434 378 1 . 1 1 85 85 LYS CA C 85 56.321 56.321 56.017 0.304 25434 379 1 . 1 1 85 85 LYS CB C 85 33.193 33.193 32.404 0.789 25434 380 1 . 1 1 85 85 LYS H H 85 8.558 8.558 8.168 0.390 25434 381 1 . 1 1 86 86 LYS N N 86 122.185 122.185 118.727 3.458 25434 382 1 . 1 1 86 86 LYS HA H 86 4.372 4.372 4.169 0.203 25434 383 1 . 1 1 86 86 LYS CA C 86 56.669 56.669 56.922 -0.253 25434 384 1 . 1 1 86 86 LYS CB C 86 33.268 33.268 31.609 1.659 25434 385 1 . 1 1 86 86 LYS H H 86 8.397 8.397 7.932 0.465 25434 386 1 . 1 1 87 87 GLU N N 87 124.443 124.443 119.328 5.115 25434 387 1 . 1 1 87 87 GLU HA H 87 4.524 4.524 4.132 0.392 25434 388 1 . 1 1 87 87 GLU CA C 87 58.257 58.257 57.344 0.913 25434 389 1 . 1 1 87 87 GLU CB C 87 33.559 33.559 29.126 4.433 25434 390 1 . 1 1 87 87 GLU H H 87 8.175 8.175 8.442 -0.267 25434 391 1 . 1 1 89 89 HIS HA H 89 4.787 4.787 4.565 0.222 25434 392 1 . 1 1 89 89 HIS CA C 89 55.754 55.754 56.286 -0.532 25434 393 1 . 1 1 89 89 HIS CB C 89 30.327 30.327 30.004 0.323 25434 394 1 . 1 1 90 90 LYS N N 90 122.178 122.178 121.778 0.400 25434 395 1 . 1 1 90 90 LYS HA H 90 4.397 4.397 4.381 0.016 25434 396 1 . 1 1 90 90 LYS CA C 90 56.597 56.597 56.328 0.269 25434 397 1 . 1 1 90 90 LYS CB C 90 33.222 33.222 33.039 0.183 25434 398 1 . 1 1 90 90 LYS H H 90 8.335 8.335 8.277 0.058 25434 399 1 . 1 1 91 91 THR N N 91 121.268 121.268 115.119 6.149 25434 400 1 . 1 1 91 91 THR HA H 91 4.453 4.453 4.310 0.143 25434 401 1 . 1 1 91 91 THR CA C 91 61.956 61.956 62.167 -0.211 25434 402 1 . 1 1 91 91 THR CB C 91 69.916 69.916 69.175 0.741 25434 403 1 . 1 1 91 91 THR H H 91 8.047 8.047 8.085 -0.038 25434 stop_ save_