data_17897 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17897 _Entry.PDB_ID 2LIM 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 17897 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE N N 2 122.866 122.866 122.207 0.659 17897 2 1 1 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.627 1.196 17897 3 1 1 . 1 1 2 2 ILE H H 2 9.234 9.234 8.447 0.787 17897 4 1 1 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.220 0.260 17897 5 1 1 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.557 0.106 17897 6 1 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.718 0.837 17897 7 1 1 . 1 1 4 4 ASN N N 4 124.006 124.006 116.919 7.087 17897 8 1 1 . 1 1 4 4 ASN H H 4 9.158 9.158 8.525 0.633 17897 9 1 1 . 1 1 6 6 LEU N N 6 120.561 120.561 122.512 -1.951 17897 10 1 1 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.043 -0.264 17897 11 1 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.106 2.493 17897 12 1 1 . 1 1 6 6 LEU H H 6 8.637 8.637 8.493 0.144 17897 13 1 1 . 1 1 7 7 LYS N N 7 118.177 118.177 118.139 0.038 17897 14 1 1 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.999 -0.028 17897 15 1 1 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.266 2.054 17897 16 1 1 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.429 1.005 17897 17 1 1 . 1 1 7 7 LYS H H 7 9.010 9.010 8.166 0.844 17897 18 1 1 . 1 1 8 8 LEU N N 8 116.280 116.280 119.626 -3.346 17897 19 1 1 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.071 0.091 17897 20 1 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.239 1.051 17897 21 1 1 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.667 1.092 17897 22 1 1 . 1 1 8 8 LEU H H 8 7.762 7.762 7.718 0.044 17897 23 1 1 . 1 1 9 9 ILE N N 9 119.178 119.178 119.706 -0.528 17897 24 1 1 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.671 0.193 17897 25 1 1 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.564 0.337 17897 26 1 1 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.646 1.038 17897 27 1 1 . 1 1 9 9 ILE H H 9 8.277 8.277 7.629 0.648 17897 28 1 1 . 1 1 10 10 ARG N N 10 120.083 120.083 119.168 0.915 17897 29 1 1 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.901 -0.023 17897 30 1 1 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.908 0.918 17897 31 1 1 . 1 1 10 10 ARG H H 10 9.313 9.313 7.775 1.538 17897 32 1 1 . 1 1 11 11 GLU N N 11 115.851 115.851 118.212 -2.361 17897 33 1 1 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.095 0.144 17897 34 1 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.931 1.355 17897 35 1 1 . 1 1 11 11 GLU H H 11 8.760 8.760 8.131 0.629 17897 36 1 1 . 1 1 12 12 LYS N N 12 122.969 122.969 120.616 2.353 17897 37 1 1 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.062 0.199 17897 38 1 1 . 1 1 12 12 LYS CA C 12 60.217 60.217 59.049 1.168 17897 39 1 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.672 0.226 17897 40 1 1 . 1 1 12 12 LYS H H 12 8.300 8.300 7.529 0.771 17897 41 1 1 . 1 1 13 13 LYS N N 13 116.249 116.249 118.486 -2.237 17897 42 1 1 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.208 0.105 17897 43 1 1 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.568 0.278 17897 44 1 1 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.279 -0.526 17897 45 1 1 . 1 1 13 13 LYS H H 13 7.807 7.807 8.342 -0.535 17897 46 1 1 . 1 1 14 14 LYS N N 14 115.342 115.342 115.434 -0.092 17897 47 1 1 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.011 0.072 17897 48 1 1 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.430 0.624 17897 49 1 1 . 1 1 14 14 LYS H H 14 8.128 8.128 7.676 0.452 17897 50 1 1 . 1 1 15 15 ILE N N 15 118.385 118.385 113.394 4.991 17897 51 1 1 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.691 -0.085 17897 52 1 1 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.260 0.543 17897 53 1 1 . 1 1 15 15 ILE H H 15 7.601 7.601 8.016 -0.415 17897 54 1 1 . 1 1 16 16 SER N N 16 125.109 125.109 121.702 3.407 17897 55 1 1 . 1 1 16 16 SER HA H 16 4.582 4.582 4.475 0.107 17897 56 1 1 . 1 1 16 16 SER CA C 16 57.628 57.628 57.841 -0.213 17897 57 1 1 . 1 1 16 16 SER H H 16 9.528 9.528 8.814 0.714 17897 58 1 1 . 1 1 17 17 GLN N N 17 120.159 120.159 123.682 -3.523 17897 59 1 1 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.002 -0.119 17897 60 1 1 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.474 3.138 17897 61 1 1 . 1 1 17 17 GLN H H 17 9.587 9.587 8.962 0.625 17897 62 1 1 . 1 1 18 18 SER N N 18 113.031 113.031 114.162 -1.131 17897 63 1 1 . 1 1 18 18 SER H H 18 9.072 9.072 8.751 0.321 17897 64 1 1 . 1 1 19 19 GLU N N 19 124.022 124.022 122.632 1.390 17897 65 1 1 . 1 1 19 19 GLU HA H 19 4.217 4.217 3.929 0.288 17897 66 1 1 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.889 0.808 17897 67 1 1 . 1 1 19 19 GLU H H 19 8.409 8.409 7.420 0.989 17897 68 1 1 . 1 1 20 20 LEU N N 20 119.979 119.979 119.644 0.335 17897 69 1 1 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.859 0.257 17897 70 1 1 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.845 0.550 17897 71 1 1 . 1 1 20 20 LEU H H 20 8.381 8.381 7.477 0.904 17897 72 1 1 . 1 1 21 21 ALA N N 21 119.822 119.822 122.032 -2.210 17897 73 1 1 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.001 -0.386 17897 74 1 1 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.962 -0.219 17897 75 1 1 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.008 -0.334 17897 76 1 1 . 1 1 21 21 ALA H H 21 8.670 8.670 8.569 0.101 17897 77 1 1 . 1 1 22 22 ALA N N 22 117.186 117.186 121.210 -4.024 17897 78 1 1 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.024 0.282 17897 79 1 1 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.540 0.992 17897 80 1 1 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.115 0.354 17897 81 1 1 . 1 1 22 22 ALA H H 22 7.869 7.869 8.560 -0.691 17897 82 1 1 . 1 1 23 23 LEU N N 23 118.476 118.476 118.031 0.445 17897 83 1 1 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.953 0.136 17897 84 1 1 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.299 0.828 17897 85 1 1 . 1 1 23 23 LEU H H 23 7.581 7.581 7.361 0.220 17897 86 1 1 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.355 -0.043 17897 87 1 1 . 1 1 24 24 LEU CA C 24 55.700 55.700 54.599 1.101 17897 88 1 1 . 1 1 25 25 GLU N N 25 114.844 114.844 117.926 -3.082 17897 89 1 1 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.929 0.155 17897 90 1 1 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.382 0.851 17897 91 1 1 . 1 1 25 25 GLU H H 25 8.076 8.076 8.499 -0.423 17897 92 1 1 . 1 1 26 26 VAL N N 26 109.651 109.651 112.735 -3.084 17897 93 1 1 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.530 0.363 17897 94 1 1 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.495 -0.375 17897 95 1 1 . 1 1 26 26 VAL H H 26 8.037 8.037 7.292 0.745 17897 96 1 1 . 1 1 27 27 SER N N 27 114.367 114.367 118.250 -3.883 17897 97 1 1 . 1 1 27 27 SER CB C 27 63.110 63.110 62.928 0.182 17897 98 1 1 . 1 1 27 27 SER H H 27 8.694 8.694 8.775 -0.081 17897 99 1 1 . 1 1 28 28 ARG N N 28 115.247 115.247 123.024 -7.777 17897 100 1 1 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.963 -0.184 17897 101 1 1 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.881 1.802 17897 102 1 1 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.068 0.821 17897 103 1 1 . 1 1 28 28 ARG H H 28 8.301 8.301 8.253 0.048 17897 104 1 1 . 1 1 29 29 GLN N N 29 117.269 117.269 116.353 0.916 17897 105 1 1 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.005 0.232 17897 106 1 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.872 1.141 17897 107 1 1 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.473 -0.075 17897 108 1 1 . 1 1 29 29 GLN H H 29 8.882 8.882 8.474 0.408 17897 109 1 1 . 1 1 30 30 THR N N 30 119.977 119.977 111.917 8.060 17897 110 1 1 . 1 1 30 30 THR HA H 30 4.601 4.601 4.223 0.378 17897 111 1 1 . 1 1 30 30 THR CA C 30 68.731 68.731 65.156 3.575 17897 112 1 1 . 1 1 30 30 THR CB C 30 67.567 67.567 69.216 -1.649 17897 113 1 1 . 1 1 30 30 THR H H 30 8.203 8.203 8.013 0.190 17897 114 1 1 . 1 1 31 31 ILE N N 31 118.714 118.714 119.507 -0.793 17897 115 1 1 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.922 -0.137 17897 116 1 1 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.980 -1.825 17897 117 1 1 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.181 -1.355 17897 118 1 1 . 1 1 31 31 ILE H H 31 7.197 7.197 8.057 -0.860 17897 119 1 1 . 1 1 32 32 ASN N N 32 118.007 118.007 120.475 -2.468 17897 120 1 1 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.388 -0.042 17897 121 1 1 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.734 1.324 17897 122 1 1 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.472 1.582 17897 123 1 1 . 1 1 32 32 ASN H H 32 8.730 8.730 8.941 -0.211 17897 124 1 1 . 1 1 33 33 GLY N N 33 124.914 124.914 108.494 16.420 17897 125 1 1 . 1 1 33 33 GLY H H 33 8.713 8.713 8.096 0.617 17897 126 1 1 . 1 1 34 34 ILE N N 34 122.110 122.110 118.138 3.972 17897 127 1 1 . 1 1 34 34 ILE HA H 34 4.351 4.351 4.089 0.262 17897 128 1 1 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.830 1.613 17897 129 1 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.883 1.303 17897 130 1 1 . 1 1 34 34 ILE H H 34 8.246 8.246 7.579 0.667 17897 131 1 1 . 1 1 35 35 GLU N N 35 120.672 120.672 121.896 -1.224 17897 132 1 1 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.171 0.156 17897 133 1 1 . 1 1 35 35 GLU CA C 35 60.689 60.689 60.556 0.133 17897 134 1 1 . 1 1 35 35 GLU H H 35 8.684 8.684 8.750 -0.066 17897 135 1 1 . 1 1 36 36 LYS N N 36 115.941 115.941 115.577 0.364 17897 136 1 1 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.267 0.345 17897 137 1 1 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.427 -2.126 17897 138 1 1 . 1 1 36 36 LYS H H 36 8.152 8.152 7.588 0.564 17897 139 1 1 . 1 1 37 37 ASN N N 37 114.474 114.474 118.145 -3.671 17897 140 1 1 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.567 0.331 17897 141 1 1 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.445 0.615 17897 142 1 1 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.691 -0.915 17897 143 1 1 . 1 1 37 37 ASN H H 37 8.263 8.263 7.581 0.682 17897 144 1 1 . 1 1 38 38 LYS N N 38 115.022 115.022 118.108 -3.086 17897 145 1 1 . 1 1 38 38 LYS HA H 38 4.480 4.480 3.936 0.544 17897 146 1 1 . 1 1 38 38 LYS CA C 38 56.844 56.844 58.350 -1.506 17897 147 1 1 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.821 1.210 17897 148 1 1 . 1 1 38 38 LYS H H 38 8.789 8.789 8.331 0.458 17897 149 1 1 . 1 1 39 39 TYR N N 39 116.894 116.894 115.506 1.388 17897 150 1 1 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.677 0.018 17897 151 1 1 . 1 1 39 39 TYR CA C 39 56.323 56.323 55.474 0.849 17897 152 1 1 . 1 1 39 39 TYR H H 39 7.120 7.120 7.709 -0.589 17897 153 1 1 . 1 1 40 40 ASN N N 40 123.571 123.571 118.058 5.513 17897 154 1 1 . 1 1 40 40 ASN H H 40 8.925 8.925 8.696 0.229 17897 155 1 1 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.476 -0.621 17897 156 1 1 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.839 -0.267 17897 157 1 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.087 0.374 17897 158 1 1 . 1 1 42 42 SER N N 42 125.757 125.757 119.835 5.922 17897 159 1 1 . 1 1 42 42 SER HA H 42 4.596 4.596 4.354 0.242 17897 160 1 1 . 1 1 42 42 SER CA C 42 58.235 58.235 58.519 -0.284 17897 161 1 1 . 1 1 42 42 SER H H 42 8.113 8.113 8.531 -0.418 17897 162 1 1 . 1 1 43 43 LEU N N 43 120.595 120.595 127.224 -6.629 17897 163 1 1 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.810 0.217 17897 164 1 1 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.829 0.252 17897 165 1 1 . 1 1 43 43 LEU H H 43 9.354 9.354 8.861 0.493 17897 166 1 1 . 1 1 44 44 GLN N N 44 116.009 116.009 117.902 -1.893 17897 167 1 1 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.026 -0.269 17897 168 1 1 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.762 1.978 17897 169 1 1 . 1 1 44 44 GLN H H 44 8.964 8.964 8.492 0.472 17897 170 1 1 . 1 1 45 45 LEU N N 45 119.443 119.443 119.585 -0.142 17897 171 1 1 . 1 1 45 45 LEU HA H 45 3.645 3.645 3.980 -0.335 17897 172 1 1 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.700 -3.001 17897 173 1 1 . 1 1 45 45 LEU H H 45 8.167 8.167 8.075 0.092 17897 174 1 1 . 1 1 46 46 ALA N N 46 120.477 120.477 122.806 -2.329 17897 175 1 1 . 1 1 46 46 ALA HA H 46 4.029 4.029 3.914 0.115 17897 176 1 1 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.310 1.175 17897 177 1 1 . 1 1 46 46 ALA CB C 46 20.653 20.653 17.950 2.703 17897 178 1 1 . 1 1 46 46 ALA H H 46 8.559 8.559 8.628 -0.069 17897 179 1 1 . 1 1 47 47 LEU N N 47 116.564 116.564 117.731 -1.167 17897 180 1 1 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.793 0.389 17897 181 1 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.696 0.705 17897 182 1 1 . 1 1 47 47 LEU H H 47 8.787 8.787 7.852 0.935 17897 183 1 1 . 1 1 48 48 LYS N N 48 121.007 121.007 118.701 2.306 17897 184 1 1 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.093 -0.373 17897 185 1 1 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.543 1.196 17897 186 1 1 . 1 1 48 48 LYS H H 48 8.106 8.106 7.421 0.685 17897 187 1 1 . 1 1 49 49 ILE N N 49 120.417 120.417 114.973 5.444 17897 188 1 1 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.223 -0.549 17897 189 1 1 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.246 4.398 17897 190 1 1 . 1 1 49 49 ILE H H 49 8.831 8.831 8.197 0.634 17897 191 1 1 . 1 1 50 50 ALA N N 50 120.372 120.372 125.554 -5.182 17897 192 1 1 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.919 0.177 17897 193 1 1 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.298 0.914 17897 194 1 1 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.936 0.893 17897 195 1 1 . 1 1 50 50 ALA H H 50 8.235 8.235 8.666 -0.431 17897 196 1 1 . 1 1 51 51 TYR N N 51 116.980 116.980 117.050 -0.070 17897 197 1 1 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.134 0.221 17897 198 1 1 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.945 0.387 17897 199 1 1 . 1 1 51 51 TYR H H 51 8.209 8.209 7.773 0.436 17897 200 1 1 . 1 1 52 52 TYR N N 52 118.569 118.569 118.530 0.039 17897 201 1 1 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.248 0.075 17897 202 1 1 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.808 3.168 17897 203 1 1 . 1 1 52 52 TYR H H 52 9.129 9.129 7.789 1.340 17897 204 1 1 . 1 1 53 53 LEU N N 53 115.377 115.377 118.563 -3.186 17897 205 1 1 . 1 1 53 53 LEU HA H 53 4.587 4.587 3.940 0.647 17897 206 1 1 . 1 1 53 53 LEU CA C 53 54.973 54.973 57.240 -2.267 17897 207 1 1 . 1 1 53 53 LEU H H 53 8.475 8.475 8.805 -0.330 17897 208 1 1 . 1 1 54 54 ASN N N 54 122.061 122.061 114.490 7.571 17897 209 1 1 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.333 0.189 17897 210 1 1 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.170 0.398 17897 211 1 1 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.154 1.331 17897 212 1 1 . 1 1 54 54 ASN H H 54 8.121 8.121 8.519 -0.398 17897 213 1 1 . 1 1 55 55 THR N N 55 114.942 114.942 115.804 -0.862 17897 214 1 1 . 1 1 55 55 THR HA H 55 5.060 5.060 4.619 0.441 17897 215 1 1 . 1 1 55 55 THR CA C 55 61.017 61.017 59.963 1.054 17897 216 1 1 . 1 1 55 55 THR CB C 55 75.522 75.522 70.471 5.051 17897 217 1 1 . 1 1 55 55 THR H H 55 8.315 8.315 7.498 0.817 17897 218 1 1 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.300 0.308 17897 219 1 1 . 1 1 56 56 PRO CA C 56 63.358 63.358 63.178 0.180 17897 220 1 1 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.156 0.053 17897 221 1 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.801 1.821 17897 222 1 1 . 1 1 58 58 GLU N N 58 123.065 123.065 118.405 4.660 17897 223 1 1 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.049 0.863 17897 224 1 1 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.830 -0.305 17897 225 1 1 . 1 1 58 58 GLU H H 58 9.418 9.418 8.572 0.846 17897 226 1 1 . 1 1 59 59 ASP N N 59 117.640 117.640 118.083 -0.443 17897 227 1 1 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.425 0.153 17897 228 1 1 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.941 0.039 17897 229 1 1 . 1 1 59 59 ASP H H 59 8.073 8.073 8.030 0.043 17897 230 1 1 . 1 1 60 60 ILE N N 60 119.506 119.506 113.181 6.325 17897 231 1 1 . 1 1 60 60 ILE H H 60 8.276 8.276 7.242 1.034 17897 232 1 1 . 1 1 61 61 PHE N N 61 115.913 115.913 120.676 -4.763 17897 233 1 1 . 1 1 61 61 PHE H H 61 8.567 8.567 9.059 -0.492 17897 234 1 1 . 1 1 63 63 TRP N N 63 125.522 125.522 121.292 4.230 17897 235 1 1 . 1 1 63 63 TRP H H 63 9.524 9.524 8.449 1.075 17897 236 1 1 . 1 1 64 64 GLN N N 64 127.251 127.251 114.970 12.281 17897 237 1 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.694 4.879 17897 238 1 1 . 1 1 64 64 GLN H H 64 8.048 8.048 8.502 -0.454 17897 239 1 1 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.617 -0.020 17897 240 1 1 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.055 -1.026 17897 241 1 2 . 1 1 2 2 ILE N N 2 122.866 122.866 117.898 4.968 17897 242 1 2 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.398 1.425 17897 243 1 2 . 1 1 2 2 ILE H H 2 9.234 9.234 8.140 1.094 17897 244 1 2 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.447 0.033 17897 245 1 2 . 1 1 3 3 ILE CA C 3 60.663 60.663 59.677 0.986 17897 246 1 2 . 1 1 3 3 ILE CB C 3 39.555 39.555 40.270 -0.715 17897 247 1 2 . 1 1 4 4 ASN N N 4 124.006 124.006 119.214 4.792 17897 248 1 2 . 1 1 4 4 ASN H H 4 9.158 9.158 8.561 0.597 17897 249 1 2 . 1 1 6 6 LEU N N 6 120.561 120.561 125.658 -5.097 17897 250 1 2 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.028 -0.249 17897 251 1 2 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.091 2.508 17897 252 1 2 . 1 1 6 6 LEU H H 6 8.637 8.637 8.945 -0.308 17897 253 1 2 . 1 1 7 7 LYS N N 7 118.177 118.177 118.599 -0.422 17897 254 1 2 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.032 -0.061 17897 255 1 2 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.453 1.867 17897 256 1 2 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.759 0.675 17897 257 1 2 . 1 1 7 7 LYS H H 7 9.010 9.010 8.605 0.405 17897 258 1 2 . 1 1 8 8 LEU N N 8 116.280 116.280 121.058 -4.778 17897 259 1 2 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.068 0.094 17897 260 1 2 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.464 0.826 17897 261 1 2 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.574 1.185 17897 262 1 2 . 1 1 8 8 LEU H H 8 7.762 7.762 7.269 0.493 17897 263 1 2 . 1 1 9 9 ILE N N 9 119.178 119.178 119.187 -0.009 17897 264 1 2 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.697 0.167 17897 265 1 2 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.455 0.447 17897 266 1 2 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.354 1.330 17897 267 1 2 . 1 1 9 9 ILE H H 9 8.277 8.277 8.206 0.071 17897 268 1 2 . 1 1 10 10 ARG N N 10 120.083 120.083 119.502 0.581 17897 269 1 2 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.931 -0.053 17897 270 1 2 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.085 1.741 17897 271 1 2 . 1 1 10 10 ARG H H 10 9.313 9.313 7.654 1.659 17897 272 1 2 . 1 1 11 11 GLU N N 11 115.851 115.851 118.641 -2.790 17897 273 1 2 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.077 0.162 17897 274 1 2 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.934 1.352 17897 275 1 2 . 1 1 11 11 GLU H H 11 8.760 8.760 7.712 1.048 17897 276 1 2 . 1 1 12 12 LYS N N 12 122.969 122.969 118.733 4.236 17897 277 1 2 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.120 0.141 17897 278 1 2 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.778 1.439 17897 279 1 2 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.176 0.722 17897 280 1 2 . 1 1 12 12 LYS H H 12 8.300 8.300 7.929 0.371 17897 281 1 2 . 1 1 13 13 LYS N N 13 116.249 116.249 119.261 -3.012 17897 282 1 2 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.295 0.018 17897 283 1 2 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.561 0.285 17897 284 1 2 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.533 -0.780 17897 285 1 2 . 1 1 13 13 LYS H H 13 7.807 7.807 8.021 -0.214 17897 286 1 2 . 1 1 14 14 LYS N N 14 115.342 115.342 115.734 -0.392 17897 287 1 2 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.969 0.114 17897 288 1 2 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.305 0.749 17897 289 1 2 . 1 1 14 14 LYS H H 14 8.128 8.128 7.832 0.296 17897 290 1 2 . 1 1 15 15 ILE N N 15 118.385 118.385 113.718 4.667 17897 291 1 2 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.535 0.071 17897 292 1 2 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.327 0.476 17897 293 1 2 . 1 1 15 15 ILE H H 15 7.601 7.601 7.877 -0.276 17897 294 1 2 . 1 1 16 16 SER N N 16 125.109 125.109 122.166 2.943 17897 295 1 2 . 1 1 16 16 SER HA H 16 4.582 4.582 4.428 0.154 17897 296 1 2 . 1 1 16 16 SER CA C 16 57.628 57.628 58.643 -1.015 17897 297 1 2 . 1 1 16 16 SER H H 16 9.528 9.528 8.433 1.095 17897 298 1 2 . 1 1 17 17 GLN N N 17 120.159 120.159 125.524 -5.365 17897 299 1 2 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.863 0.020 17897 300 1 2 . 1 1 17 17 GLN CA C 17 62.611 62.611 60.330 2.281 17897 301 1 2 . 1 1 17 17 GLN H H 17 9.587 9.587 8.963 0.624 17897 302 1 2 . 1 1 18 18 SER N N 18 113.031 113.031 115.809 -2.778 17897 303 1 2 . 1 1 18 18 SER H H 18 9.072 9.072 8.504 0.568 17897 304 1 2 . 1 1 19 19 GLU N N 19 124.022 124.022 121.365 2.657 17897 305 1 2 . 1 1 19 19 GLU HA H 19 4.217 4.217 3.993 0.224 17897 306 1 2 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.159 0.538 17897 307 1 2 . 1 1 19 19 GLU H H 19 8.409 8.409 8.145 0.264 17897 308 1 2 . 1 1 20 20 LEU N N 20 119.979 119.979 119.845 0.134 17897 309 1 2 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.800 0.316 17897 310 1 2 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.051 0.344 17897 311 1 2 . 1 1 20 20 LEU H H 20 8.381 8.381 7.612 0.769 17897 312 1 2 . 1 1 21 21 ALA N N 21 119.822 119.822 120.877 -1.055 17897 313 1 2 . 1 1 21 21 ALA HA H 21 3.615 3.615 3.999 -0.384 17897 314 1 2 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.899 -0.156 17897 315 1 2 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.106 -0.432 17897 316 1 2 . 1 1 21 21 ALA H H 21 8.670 8.670 8.665 0.005 17897 317 1 2 . 1 1 22 22 ALA N N 22 117.186 117.186 120.972 -3.786 17897 318 1 2 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.444 -0.138 17897 319 1 2 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.212 1.320 17897 320 1 2 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.399 0.070 17897 321 1 2 . 1 1 22 22 ALA H H 22 7.869 7.869 8.399 -0.530 17897 322 1 2 . 1 1 23 23 LEU N N 23 118.476 118.476 118.234 0.242 17897 323 1 2 . 1 1 23 23 LEU HA H 23 4.089 4.089 4.057 0.032 17897 324 1 2 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.326 0.801 17897 325 1 2 . 1 1 23 23 LEU H H 23 7.581 7.581 7.598 -0.017 17897 326 1 2 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.367 -0.055 17897 327 1 2 . 1 1 24 24 LEU CA C 24 55.700 55.700 54.840 0.860 17897 328 1 2 . 1 1 25 25 GLU N N 25 114.844 114.844 117.218 -2.374 17897 329 1 2 . 1 1 25 25 GLU HA H 25 4.084 4.084 4.018 0.066 17897 330 1 2 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.967 0.267 17897 331 1 2 . 1 1 25 25 GLU H H 25 8.076 8.076 8.226 -0.150 17897 332 1 2 . 1 1 26 26 VAL N N 26 109.651 109.651 112.331 -2.680 17897 333 1 2 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.492 0.401 17897 334 1 2 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.220 -0.100 17897 335 1 2 . 1 1 26 26 VAL H H 26 8.037 8.037 7.294 0.743 17897 336 1 2 . 1 1 27 27 SER N N 27 114.367 114.367 117.295 -2.928 17897 337 1 2 . 1 1 27 27 SER CB C 27 63.110 63.110 62.641 0.469 17897 338 1 2 . 1 1 27 27 SER H H 27 8.694 8.694 8.734 -0.040 17897 339 1 2 . 1 1 28 28 ARG N N 28 115.247 115.247 123.086 -7.839 17897 340 1 2 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.991 -0.212 17897 341 1 2 . 1 1 28 28 ARG CA C 28 60.683 60.683 59.405 1.278 17897 342 1 2 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.479 0.410 17897 343 1 2 . 1 1 28 28 ARG H H 28 8.301 8.301 8.140 0.161 17897 344 1 2 . 1 1 29 29 GLN N N 29 117.269 117.269 116.762 0.507 17897 345 1 2 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.062 0.175 17897 346 1 2 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.714 1.299 17897 347 1 2 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.040 0.358 17897 348 1 2 . 1 1 29 29 GLN H H 29 8.882 8.882 8.467 0.415 17897 349 1 2 . 1 1 30 30 THR N N 30 119.977 119.977 111.188 8.789 17897 350 1 2 . 1 1 30 30 THR HA H 30 4.601 4.601 4.264 0.337 17897 351 1 2 . 1 1 30 30 THR CA C 30 68.731 68.731 65.015 3.716 17897 352 1 2 . 1 1 30 30 THR CB C 30 67.567 67.567 69.701 -2.134 17897 353 1 2 . 1 1 30 30 THR H H 30 8.203 8.203 7.993 0.210 17897 354 1 2 . 1 1 31 31 ILE N N 31 118.714 118.714 119.186 -0.472 17897 355 1 2 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.959 -0.174 17897 356 1 2 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.638 -1.482 17897 357 1 2 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.359 -1.533 17897 358 1 2 . 1 1 31 31 ILE H H 31 7.197 7.197 8.620 -1.423 17897 359 1 2 . 1 1 32 32 ASN N N 32 118.007 118.007 120.570 -2.563 17897 360 1 2 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.457 -0.111 17897 361 1 2 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.986 1.072 17897 362 1 2 . 1 1 32 32 ASN CB C 32 40.054 40.054 37.986 2.068 17897 363 1 2 . 1 1 32 32 ASN H H 32 8.730 8.730 8.943 -0.213 17897 364 1 2 . 1 1 33 33 GLY N N 33 124.914 124.914 107.843 17.071 17897 365 1 2 . 1 1 33 33 GLY H H 33 8.713 8.713 7.904 0.809 17897 366 1 2 . 1 1 34 34 ILE N N 34 122.110 122.110 122.419 -0.309 17897 367 1 2 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.761 0.590 17897 368 1 2 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.320 2.123 17897 369 1 2 . 1 1 34 34 ILE CB C 34 39.186 39.186 36.983 2.203 17897 370 1 2 . 1 1 34 34 ILE H H 34 8.246 8.246 7.346 0.900 17897 371 1 2 . 1 1 35 35 GLU N N 35 120.672 120.672 120.426 0.246 17897 372 1 2 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.112 0.215 17897 373 1 2 . 1 1 35 35 GLU CA C 35 60.689 60.689 60.409 0.280 17897 374 1 2 . 1 1 35 35 GLU H H 35 8.684 8.684 9.038 -0.354 17897 375 1 2 . 1 1 36 36 LYS N N 36 115.941 115.941 119.474 -3.533 17897 376 1 2 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.034 0.578 17897 377 1 2 . 1 1 36 36 LYS CA C 36 56.301 56.301 59.970 -3.669 17897 378 1 2 . 1 1 36 36 LYS H H 36 8.152 8.152 8.924 -0.772 17897 379 1 2 . 1 1 37 37 ASN N N 37 114.474 114.474 119.026 -4.552 17897 380 1 2 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.720 0.178 17897 381 1 2 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.721 0.340 17897 382 1 2 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.597 -0.821 17897 383 1 2 . 1 1 37 37 ASN H H 37 8.263 8.263 8.594 -0.331 17897 384 1 2 . 1 1 38 38 LYS N N 38 115.022 115.022 116.766 -1.744 17897 385 1 2 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.415 0.065 17897 386 1 2 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.694 -0.850 17897 387 1 2 . 1 1 38 38 LYS CB C 38 34.031 34.031 34.608 -0.577 17897 388 1 2 . 1 1 38 38 LYS H H 38 8.789 8.789 7.913 0.876 17897 389 1 2 . 1 1 39 39 TYR N N 39 116.894 116.894 120.101 -3.207 17897 390 1 2 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.643 0.052 17897 391 1 2 . 1 1 39 39 TYR CA C 39 56.323 56.323 57.855 -1.532 17897 392 1 2 . 1 1 39 39 TYR H H 39 7.120 7.120 8.686 -1.566 17897 393 1 2 . 1 1 40 40 ASN N N 40 123.571 123.571 118.658 4.913 17897 394 1 2 . 1 1 40 40 ASN H H 40 8.925 8.925 8.491 0.434 17897 395 1 2 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.668 -0.813 17897 396 1 2 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.231 0.341 17897 397 1 2 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.423 0.038 17897 398 1 2 . 1 1 42 42 SER N N 42 125.757 125.757 118.102 7.655 17897 399 1 2 . 1 1 42 42 SER HA H 42 4.596 4.596 4.482 0.114 17897 400 1 2 . 1 1 42 42 SER CA C 42 58.235 58.235 58.413 -0.178 17897 401 1 2 . 1 1 42 42 SER H H 42 8.113 8.113 8.207 -0.094 17897 402 1 2 . 1 1 43 43 LEU N N 43 120.595 120.595 126.417 -5.822 17897 403 1 2 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.866 0.161 17897 404 1 2 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.748 0.333 17897 405 1 2 . 1 1 43 43 LEU H H 43 9.354 9.354 8.973 0.381 17897 406 1 2 . 1 1 44 44 GLN N N 44 116.009 116.009 117.957 -1.948 17897 407 1 2 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.059 -0.302 17897 408 1 2 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.890 1.850 17897 409 1 2 . 1 1 44 44 GLN H H 44 8.964 8.964 8.662 0.302 17897 410 1 2 . 1 1 45 45 LEU N N 45 119.443 119.443 120.501 -1.058 17897 411 1 2 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.105 -0.460 17897 412 1 2 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.341 -2.642 17897 413 1 2 . 1 1 45 45 LEU H H 45 8.167 8.167 7.656 0.511 17897 414 1 2 . 1 1 46 46 ALA N N 46 120.477 120.477 122.308 -1.831 17897 415 1 2 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.016 0.013 17897 416 1 2 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.083 1.403 17897 417 1 2 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.502 2.151 17897 418 1 2 . 1 1 46 46 ALA H H 46 8.559 8.559 8.704 -0.145 17897 419 1 2 . 1 1 47 47 LEU N N 47 116.564 116.564 120.003 -3.439 17897 420 1 2 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.992 0.190 17897 421 1 2 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.190 0.211 17897 422 1 2 . 1 1 47 47 LEU H H 47 8.787 8.787 8.756 0.031 17897 423 1 2 . 1 1 48 48 LYS N N 48 121.007 121.007 118.640 2.367 17897 424 1 2 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.033 -0.313 17897 425 1 2 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.564 1.175 17897 426 1 2 . 1 1 48 48 LYS H H 48 8.106 8.106 7.599 0.507 17897 427 1 2 . 1 1 49 49 ILE N N 49 120.417 120.417 120.805 -0.388 17897 428 1 2 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.924 -0.250 17897 429 1 2 . 1 1 49 49 ILE CA C 49 67.644 67.644 62.807 4.837 17897 430 1 2 . 1 1 49 49 ILE H H 49 8.831 8.831 7.981 0.850 17897 431 1 2 . 1 1 50 50 ALA N N 50 120.372 120.372 121.918 -1.546 17897 432 1 2 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.978 0.118 17897 433 1 2 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.854 1.358 17897 434 1 2 . 1 1 50 50 ALA CB C 50 18.830 18.830 18.057 0.773 17897 435 1 2 . 1 1 50 50 ALA H H 50 8.235 8.235 8.906 -0.671 17897 436 1 2 . 1 1 51 51 TYR N N 51 116.980 116.980 119.385 -2.405 17897 437 1 2 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.104 0.251 17897 438 1 2 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.966 0.366 17897 439 1 2 . 1 1 51 51 TYR H H 51 8.209 8.209 7.550 0.659 17897 440 1 2 . 1 1 52 52 TYR N N 52 118.569 118.569 118.187 0.382 17897 441 1 2 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.091 0.232 17897 442 1 2 . 1 1 52 52 TYR CA C 52 63.976 63.976 61.123 2.853 17897 443 1 2 . 1 1 52 52 TYR H H 52 9.129 9.129 7.798 1.331 17897 444 1 2 . 1 1 53 53 LEU N N 53 115.377 115.377 118.441 -3.064 17897 445 1 2 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.044 0.543 17897 446 1 2 . 1 1 53 53 LEU CA C 53 54.973 54.973 57.111 -2.138 17897 447 1 2 . 1 1 53 53 LEU H H 53 8.475 8.475 7.863 0.612 17897 448 1 2 . 1 1 54 54 ASN N N 54 122.061 122.061 114.915 7.146 17897 449 1 2 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.290 0.232 17897 450 1 2 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.315 0.253 17897 451 1 2 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.301 1.184 17897 452 1 2 . 1 1 54 54 ASN H H 54 8.121 8.121 8.256 -0.135 17897 453 1 2 . 1 1 55 55 THR N N 55 114.942 114.942 115.924 -0.982 17897 454 1 2 . 1 1 55 55 THR HA H 55 5.060 5.060 4.662 0.398 17897 455 1 2 . 1 1 55 55 THR CA C 55 61.017 61.017 60.046 0.971 17897 456 1 2 . 1 1 55 55 THR CB C 55 75.522 75.522 71.051 4.471 17897 457 1 2 . 1 1 55 55 THR H H 55 8.315 8.315 7.509 0.806 17897 458 1 2 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.553 0.055 17897 459 1 2 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.630 0.728 17897 460 1 2 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.977 0.232 17897 461 1 2 . 1 1 57 57 LEU CA C 57 60.622 60.622 57.957 2.665 17897 462 1 2 . 1 1 58 58 GLU N N 58 123.065 123.065 118.797 4.268 17897 463 1 2 . 1 1 58 58 GLU HA H 58 4.912 4.912 3.929 0.984 17897 464 1 2 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.510 0.016 17897 465 1 2 . 1 1 58 58 GLU H H 58 9.418 9.418 8.698 0.720 17897 466 1 2 . 1 1 59 59 ASP N N 59 117.640 117.640 118.537 -0.897 17897 467 1 2 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.441 0.137 17897 468 1 2 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.965 0.015 17897 469 1 2 . 1 1 59 59 ASP H H 59 8.073 8.073 7.783 0.290 17897 470 1 2 . 1 1 60 60 ILE N N 60 119.506 119.506 115.639 3.867 17897 471 1 2 . 1 1 60 60 ILE H H 60 8.276 8.276 7.489 0.787 17897 472 1 2 . 1 1 61 61 PHE N N 61 115.913 115.913 121.503 -5.590 17897 473 1 2 . 1 1 61 61 PHE H H 61 8.567 8.567 8.894 -0.327 17897 474 1 2 . 1 1 63 63 TRP N N 63 125.522 125.522 114.923 10.599 17897 475 1 2 . 1 1 63 63 TRP H H 63 9.524 9.524 7.754 1.770 17897 476 1 2 . 1 1 64 64 GLN N N 64 127.251 127.251 120.206 7.045 17897 477 1 2 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.491 2.082 17897 478 1 2 . 1 1 64 64 GLN H H 64 8.048 8.048 7.516 0.532 17897 479 1 2 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.320 0.277 17897 480 1 2 . 1 1 65 65 PRO CA C 65 62.029 62.029 64.106 -2.077 17897 481 1 3 . 1 1 2 2 ILE N N 2 122.866 122.866 122.292 0.574 17897 482 1 3 . 1 1 2 2 ILE CB C 2 39.823 39.823 36.639 3.184 17897 483 1 3 . 1 1 2 2 ILE H H 2 9.234 9.234 8.060 1.174 17897 484 1 3 . 1 1 3 3 ILE HA H 3 4.480 4.480 3.989 0.491 17897 485 1 3 . 1 1 3 3 ILE CA C 3 60.663 60.663 61.056 -0.393 17897 486 1 3 . 1 1 3 3 ILE CB C 3 39.555 39.555 34.334 5.221 17897 487 1 3 . 1 1 4 4 ASN N N 4 124.006 124.006 119.291 4.715 17897 488 1 3 . 1 1 4 4 ASN H H 4 9.158 9.158 8.925 0.233 17897 489 1 3 . 1 1 6 6 LEU N N 6 120.561 120.561 127.314 -6.753 17897 490 1 3 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.128 -0.349 17897 491 1 3 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.468 2.131 17897 492 1 3 . 1 1 6 6 LEU H H 6 8.637 8.637 9.742 -1.105 17897 493 1 3 . 1 1 7 7 LYS N N 7 118.177 118.177 118.043 0.134 17897 494 1 3 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.968 0.003 17897 495 1 3 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.466 1.854 17897 496 1 3 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.280 1.154 17897 497 1 3 . 1 1 7 7 LYS H H 7 9.010 9.010 8.508 0.502 17897 498 1 3 . 1 1 8 8 LEU N N 8 116.280 116.280 120.255 -3.975 17897 499 1 3 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.050 0.112 17897 500 1 3 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.373 0.917 17897 501 1 3 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.705 1.054 17897 502 1 3 . 1 1 8 8 LEU H H 8 7.762 7.762 7.377 0.385 17897 503 1 3 . 1 1 9 9 ILE N N 9 119.178 119.178 118.744 0.434 17897 504 1 3 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.725 0.139 17897 505 1 3 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.379 0.522 17897 506 1 3 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.419 1.264 17897 507 1 3 . 1 1 9 9 ILE H H 9 8.277 8.277 7.988 0.289 17897 508 1 3 . 1 1 10 10 ARG N N 10 120.083 120.083 121.383 -1.300 17897 509 1 3 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.869 0.009 17897 510 1 3 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.224 1.602 17897 511 1 3 . 1 1 10 10 ARG H H 10 9.313 9.313 8.943 0.370 17897 512 1 3 . 1 1 11 11 GLU N N 11 115.851 115.851 117.872 -2.021 17897 513 1 3 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.074 0.165 17897 514 1 3 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.985 1.301 17897 515 1 3 . 1 1 11 11 GLU H H 11 8.760 8.760 8.542 0.218 17897 516 1 3 . 1 1 12 12 LYS N N 12 122.969 122.969 121.348 1.621 17897 517 1 3 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.115 0.146 17897 518 1 3 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.869 1.348 17897 519 1 3 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.411 0.487 17897 520 1 3 . 1 1 12 12 LYS H H 12 8.300 8.300 7.646 0.654 17897 521 1 3 . 1 1 13 13 LYS N N 13 116.249 116.249 117.839 -1.590 17897 522 1 3 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.186 0.127 17897 523 1 3 . 1 1 13 13 LYS CA C 13 55.846 55.846 56.342 -0.496 17897 524 1 3 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.740 -0.987 17897 525 1 3 . 1 1 13 13 LYS H H 13 7.807 7.807 8.180 -0.373 17897 526 1 3 . 1 1 14 14 LYS N N 14 115.342 115.342 115.862 -0.520 17897 527 1 3 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.029 0.054 17897 528 1 3 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.575 0.479 17897 529 1 3 . 1 1 14 14 LYS H H 14 8.128 8.128 8.008 0.120 17897 530 1 3 . 1 1 15 15 ILE N N 15 118.385 118.385 113.412 4.973 17897 531 1 3 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.806 -0.200 17897 532 1 3 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.138 0.665 17897 533 1 3 . 1 1 15 15 ILE H H 15 7.601 7.601 7.647 -0.046 17897 534 1 3 . 1 1 16 16 SER N N 16 125.109 125.109 123.375 1.734 17897 535 1 3 . 1 1 16 16 SER HA H 16 4.582 4.582 4.650 -0.068 17897 536 1 3 . 1 1 16 16 SER CA C 16 57.628 57.628 57.141 0.487 17897 537 1 3 . 1 1 16 16 SER H H 16 9.528 9.528 9.845 -0.317 17897 538 1 3 . 1 1 17 17 GLN N N 17 120.159 120.159 121.701 -1.542 17897 539 1 3 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.961 -0.078 17897 540 1 3 . 1 1 17 17 GLN CA C 17 62.611 62.611 60.097 2.514 17897 541 1 3 . 1 1 17 17 GLN H H 17 9.587 9.587 9.007 0.580 17897 542 1 3 . 1 1 18 18 SER N N 18 113.031 113.031 114.896 -1.865 17897 543 1 3 . 1 1 18 18 SER H H 18 9.072 9.072 8.520 0.552 17897 544 1 3 . 1 1 19 19 GLU N N 19 124.022 124.022 122.670 1.352 17897 545 1 3 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.080 0.137 17897 546 1 3 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.469 0.228 17897 547 1 3 . 1 1 19 19 GLU H H 19 8.409 8.409 7.469 0.940 17897 548 1 3 . 1 1 20 20 LEU N N 20 119.979 119.979 120.558 -0.579 17897 549 1 3 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.911 0.205 17897 550 1 3 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.597 -0.202 17897 551 1 3 . 1 1 20 20 LEU H H 20 8.381 8.381 8.373 0.008 17897 552 1 3 . 1 1 21 21 ALA N N 21 119.822 119.822 121.142 -1.320 17897 553 1 3 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.001 -0.386 17897 554 1 3 . 1 1 21 21 ALA CA C 21 54.743 54.743 55.032 -0.290 17897 555 1 3 . 1 1 21 21 ALA CB C 21 17.674 17.674 17.927 -0.253 17897 556 1 3 . 1 1 21 21 ALA H H 21 8.670 8.670 8.813 -0.143 17897 557 1 3 . 1 1 22 22 ALA N N 22 117.186 117.186 122.666 -5.480 17897 558 1 3 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.043 0.263 17897 559 1 3 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.673 0.859 17897 560 1 3 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.236 0.233 17897 561 1 3 . 1 1 22 22 ALA H H 22 7.869 7.869 8.390 -0.521 17897 562 1 3 . 1 1 23 23 LEU N N 23 118.476 118.476 117.920 0.556 17897 563 1 3 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.810 0.279 17897 564 1 3 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.124 1.003 17897 565 1 3 . 1 1 23 23 LEU H H 23 7.581 7.581 8.016 -0.435 17897 566 1 3 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.141 0.171 17897 567 1 3 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.553 0.147 17897 568 1 3 . 1 1 25 25 GLU N N 25 114.844 114.844 115.035 -0.191 17897 569 1 3 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.986 0.098 17897 570 1 3 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.253 0.980 17897 571 1 3 . 1 1 25 25 GLU H H 25 8.076 8.076 7.758 0.318 17897 572 1 3 . 1 1 26 26 VAL N N 26 109.651 109.651 110.151 -0.500 17897 573 1 3 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.490 0.403 17897 574 1 3 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.119 0.001 17897 575 1 3 . 1 1 26 26 VAL H H 26 8.037 8.037 7.377 0.660 17897 576 1 3 . 1 1 27 27 SER N N 27 114.367 114.367 116.929 -2.562 17897 577 1 3 . 1 1 27 27 SER CB C 27 63.110 63.110 62.951 0.159 17897 578 1 3 . 1 1 27 27 SER H H 27 8.694 8.694 8.652 0.042 17897 579 1 3 . 1 1 28 28 ARG N N 28 115.247 115.247 121.644 -6.397 17897 580 1 3 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.950 -0.171 17897 581 1 3 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.802 1.881 17897 582 1 3 . 1 1 28 28 ARG CB C 28 29.889 29.889 28.500 1.389 17897 583 1 3 . 1 1 28 28 ARG H H 28 8.301 8.301 8.492 -0.191 17897 584 1 3 . 1 1 29 29 GLN N N 29 117.269 117.269 119.184 -1.915 17897 585 1 3 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.029 0.208 17897 586 1 3 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.037 0.976 17897 587 1 3 . 1 1 29 29 GLN CB C 29 28.398 28.398 27.934 0.464 17897 588 1 3 . 1 1 29 29 GLN H H 29 8.882 8.882 8.132 0.750 17897 589 1 3 . 1 1 30 30 THR N N 30 119.977 119.977 116.582 3.395 17897 590 1 3 . 1 1 30 30 THR HA H 30 4.601 4.601 4.008 0.593 17897 591 1 3 . 1 1 30 30 THR CA C 30 68.731 68.731 66.364 2.367 17897 592 1 3 . 1 1 30 30 THR CB C 30 67.567 67.567 68.636 -1.069 17897 593 1 3 . 1 1 30 30 THR H H 30 8.203 8.203 8.370 -0.167 17897 594 1 3 . 1 1 31 31 ILE N N 31 118.714 118.714 121.561 -2.847 17897 595 1 3 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.689 0.096 17897 596 1 3 . 1 1 31 31 ILE CA C 31 62.155 62.155 64.523 -2.368 17897 597 1 3 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.888 -2.062 17897 598 1 3 . 1 1 31 31 ILE H H 31 7.197 7.197 7.492 -0.295 17897 599 1 3 . 1 1 32 32 ASN N N 32 118.007 118.007 119.189 -1.182 17897 600 1 3 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.631 -0.285 17897 601 1 3 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.423 1.635 17897 602 1 3 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.063 1.990 17897 603 1 3 . 1 1 32 32 ASN H H 32 8.730 8.730 9.082 -0.352 17897 604 1 3 . 1 1 33 33 GLY N N 33 124.914 124.914 107.492 17.422 17897 605 1 3 . 1 1 33 33 GLY H H 33 8.713 8.713 7.846 0.867 17897 606 1 3 . 1 1 34 34 ILE N N 34 122.110 122.110 118.025 4.085 17897 607 1 3 . 1 1 34 34 ILE HA H 34 4.351 4.351 4.089 0.262 17897 608 1 3 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.093 2.350 17897 609 1 3 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.790 1.396 17897 610 1 3 . 1 1 34 34 ILE H H 34 8.246 8.246 7.202 1.044 17897 611 1 3 . 1 1 35 35 GLU N N 35 120.672 120.672 122.811 -2.139 17897 612 1 3 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.100 0.227 17897 613 1 3 . 1 1 35 35 GLU CA C 35 60.689 60.689 60.524 0.165 17897 614 1 3 . 1 1 35 35 GLU H H 35 8.684 8.684 9.001 -0.317 17897 615 1 3 . 1 1 36 36 LYS N N 36 115.941 115.941 115.910 0.031 17897 616 1 3 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.342 0.270 17897 617 1 3 . 1 1 36 36 LYS CA C 36 56.301 56.301 57.649 -1.348 17897 618 1 3 . 1 1 36 36 LYS H H 36 8.152 8.152 7.602 0.550 17897 619 1 3 . 1 1 37 37 ASN N N 37 114.474 114.474 117.178 -2.704 17897 620 1 3 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.560 0.338 17897 621 1 3 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.423 0.637 17897 622 1 3 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.976 -1.200 17897 623 1 3 . 1 1 37 37 ASN H H 37 8.263 8.263 7.628 0.635 17897 624 1 3 . 1 1 38 38 LYS N N 38 115.022 115.022 116.587 -1.565 17897 625 1 3 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.016 0.464 17897 626 1 3 . 1 1 38 38 LYS CA C 38 56.844 56.844 58.330 -1.486 17897 627 1 3 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.375 0.656 17897 628 1 3 . 1 1 38 38 LYS H H 38 8.789 8.789 8.144 0.645 17897 629 1 3 . 1 1 39 39 TYR N N 39 116.894 116.894 117.157 -0.263 17897 630 1 3 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.750 -0.055 17897 631 1 3 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.118 0.205 17897 632 1 3 . 1 1 39 39 TYR H H 39 7.120 7.120 8.052 -0.932 17897 633 1 3 . 1 1 40 40 ASN N N 40 123.571 123.571 117.982 5.589 17897 634 1 3 . 1 1 40 40 ASN H H 40 8.925 8.925 8.430 0.495 17897 635 1 3 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.484 -0.629 17897 636 1 3 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.708 -0.136 17897 637 1 3 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.989 0.472 17897 638 1 3 . 1 1 42 42 SER N N 42 125.757 125.757 119.134 6.623 17897 639 1 3 . 1 1 42 42 SER HA H 42 4.596 4.596 4.421 0.175 17897 640 1 3 . 1 1 42 42 SER CA C 42 58.235 58.235 58.711 -0.476 17897 641 1 3 . 1 1 42 42 SER H H 42 8.113 8.113 9.607 -1.494 17897 642 1 3 . 1 1 43 43 LEU N N 43 120.595 120.595 127.159 -6.564 17897 643 1 3 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.906 0.121 17897 644 1 3 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.193 -0.112 17897 645 1 3 . 1 1 43 43 LEU H H 43 9.354 9.354 8.834 0.520 17897 646 1 3 . 1 1 44 44 GLN N N 44 116.009 116.009 118.614 -2.605 17897 647 1 3 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.020 -0.263 17897 648 1 3 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.204 1.536 17897 649 1 3 . 1 1 44 44 GLN H H 44 8.964 8.964 8.385 0.579 17897 650 1 3 . 1 1 45 45 LEU N N 45 119.443 119.443 119.885 -0.442 17897 651 1 3 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.028 -0.383 17897 652 1 3 . 1 1 45 45 LEU CA C 45 54.699 54.699 58.085 -3.386 17897 653 1 3 . 1 1 45 45 LEU H H 45 8.167 8.167 7.793 0.374 17897 654 1 3 . 1 1 46 46 ALA N N 46 120.477 120.477 122.616 -2.139 17897 655 1 3 . 1 1 46 46 ALA HA H 46 4.029 4.029 3.986 0.043 17897 656 1 3 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.314 1.171 17897 657 1 3 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.144 2.509 17897 658 1 3 . 1 1 46 46 ALA H H 46 8.559 8.559 8.720 -0.161 17897 659 1 3 . 1 1 47 47 LEU N N 47 116.564 116.564 118.174 -1.610 17897 660 1 3 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.833 0.349 17897 661 1 3 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.858 0.543 17897 662 1 3 . 1 1 47 47 LEU H H 47 8.787 8.787 8.725 0.062 17897 663 1 3 . 1 1 48 48 LYS N N 48 121.007 121.007 118.801 2.206 17897 664 1 3 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.064 -0.344 17897 665 1 3 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.610 1.129 17897 666 1 3 . 1 1 48 48 LYS H H 48 8.106 8.106 8.122 -0.016 17897 667 1 3 . 1 1 49 49 ILE N N 49 120.417 120.417 114.655 5.762 17897 668 1 3 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.245 -0.571 17897 669 1 3 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.013 4.631 17897 670 1 3 . 1 1 49 49 ILE H H 49 8.831 8.831 8.281 0.550 17897 671 1 3 . 1 1 50 50 ALA N N 50 120.372 120.372 125.271 -4.899 17897 672 1 3 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.985 0.111 17897 673 1 3 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.135 1.077 17897 674 1 3 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.675 1.155 17897 675 1 3 . 1 1 50 50 ALA H H 50 8.235 8.235 8.691 -0.456 17897 676 1 3 . 1 1 51 51 TYR N N 51 116.980 116.980 118.528 -1.548 17897 677 1 3 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.084 0.271 17897 678 1 3 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.782 0.550 17897 679 1 3 . 1 1 51 51 TYR H H 51 8.209 8.209 7.819 0.390 17897 680 1 3 . 1 1 52 52 TYR N N 52 118.569 118.569 116.994 1.575 17897 681 1 3 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.133 0.190 17897 682 1 3 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.956 3.020 17897 683 1 3 . 1 1 52 52 TYR H H 52 9.129 9.129 7.750 1.379 17897 684 1 3 . 1 1 53 53 LEU N N 53 115.377 115.377 121.478 -6.101 17897 685 1 3 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.281 0.306 17897 686 1 3 . 1 1 53 53 LEU CA C 53 54.973 54.973 53.859 1.114 17897 687 1 3 . 1 1 53 53 LEU H H 53 8.475 8.475 9.196 -0.721 17897 688 1 3 . 1 1 54 54 ASN N N 54 122.061 122.061 121.775 0.286 17897 689 1 3 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.301 0.221 17897 690 1 3 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.785 -0.217 17897 691 1 3 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.169 1.316 17897 692 1 3 . 1 1 54 54 ASN H H 54 8.121 8.121 8.781 -0.660 17897 693 1 3 . 1 1 55 55 THR N N 55 114.942 114.942 116.634 -1.692 17897 694 1 3 . 1 1 55 55 THR HA H 55 5.060 5.060 4.476 0.584 17897 695 1 3 . 1 1 55 55 THR CA C 55 61.017 61.017 59.502 1.515 17897 696 1 3 . 1 1 55 55 THR CB C 55 75.522 75.522 70.550 4.972 17897 697 1 3 . 1 1 55 55 THR H H 55 8.315 8.315 7.783 0.532 17897 698 1 3 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.496 0.112 17897 699 1 3 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.562 0.796 17897 700 1 3 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.941 0.268 17897 701 1 3 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.660 1.962 17897 702 1 3 . 1 1 58 58 GLU N N 58 123.065 123.065 118.840 4.225 17897 703 1 3 . 1 1 58 58 GLU HA H 58 4.912 4.912 3.755 1.157 17897 704 1 3 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.087 0.438 17897 705 1 3 . 1 1 58 58 GLU H H 58 9.418 9.418 8.362 1.056 17897 706 1 3 . 1 1 59 59 ASP N N 59 117.640 117.640 118.622 -0.982 17897 707 1 3 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.082 0.495 17897 708 1 3 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.033 0.947 17897 709 1 3 . 1 1 59 59 ASP H H 59 8.073 8.073 7.823 0.250 17897 710 1 3 . 1 1 60 60 ILE N N 60 119.506 119.506 116.947 2.559 17897 711 1 3 . 1 1 60 60 ILE H H 60 8.276 8.276 7.649 0.627 17897 712 1 3 . 1 1 61 61 PHE N N 61 115.913 115.913 116.644 -0.731 17897 713 1 3 . 1 1 61 61 PHE H H 61 8.567 8.567 7.527 1.040 17897 714 1 3 . 1 1 63 63 TRP N N 63 125.522 125.522 121.619 3.903 17897 715 1 3 . 1 1 63 63 TRP H H 63 9.524 9.524 8.189 1.335 17897 716 1 3 . 1 1 64 64 GLN N N 64 127.251 127.251 126.478 0.773 17897 717 1 3 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.660 2.913 17897 718 1 3 . 1 1 64 64 GLN H H 64 8.048 8.048 7.633 0.415 17897 719 1 3 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.273 0.324 17897 720 1 3 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.123 -1.094 17897 721 1 4 . 1 1 2 2 ILE N N 2 122.866 122.866 120.346 2.520 17897 722 1 4 . 1 1 2 2 ILE CB C 2 39.823 39.823 41.585 -1.762 17897 723 1 4 . 1 1 2 2 ILE H H 2 9.234 9.234 8.900 0.334 17897 724 1 4 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.076 0.404 17897 725 1 4 . 1 1 3 3 ILE CA C 3 60.663 60.663 61.902 -1.239 17897 726 1 4 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.876 0.679 17897 727 1 4 . 1 1 4 4 ASN N N 4 124.006 124.006 120.605 3.401 17897 728 1 4 . 1 1 4 4 ASN H H 4 9.158 9.158 8.392 0.766 17897 729 1 4 . 1 1 6 6 LEU N N 6 120.561 120.561 126.600 -6.039 17897 730 1 4 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.094 -0.315 17897 731 1 4 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.994 2.605 17897 732 1 4 . 1 1 6 6 LEU H H 6 8.637 8.637 8.195 0.442 17897 733 1 4 . 1 1 7 7 LYS N N 7 118.177 118.177 117.880 0.297 17897 734 1 4 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.992 -0.021 17897 735 1 4 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.036 2.284 17897 736 1 4 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.411 1.023 17897 737 1 4 . 1 1 7 7 LYS H H 7 9.010 9.010 8.315 0.695 17897 738 1 4 . 1 1 8 8 LEU N N 8 116.280 116.280 120.379 -4.099 17897 739 1 4 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.086 0.076 17897 740 1 4 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.202 1.088 17897 741 1 4 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.915 0.844 17897 742 1 4 . 1 1 8 8 LEU H H 8 7.762 7.762 7.452 0.310 17897 743 1 4 . 1 1 9 9 ILE N N 9 119.178 119.178 119.001 0.177 17897 744 1 4 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.725 0.139 17897 745 1 4 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.282 0.619 17897 746 1 4 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.154 1.530 17897 747 1 4 . 1 1 9 9 ILE H H 9 8.277 8.277 7.489 0.788 17897 748 1 4 . 1 1 10 10 ARG N N 10 120.083 120.083 119.999 0.084 17897 749 1 4 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.955 -0.077 17897 750 1 4 . 1 1 10 10 ARG CA C 10 61.826 61.826 59.789 2.037 17897 751 1 4 . 1 1 10 10 ARG H H 10 9.313 9.313 7.872 1.441 17897 752 1 4 . 1 1 11 11 GLU N N 11 115.851 115.851 119.748 -3.897 17897 753 1 4 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.082 0.157 17897 754 1 4 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.971 1.315 17897 755 1 4 . 1 1 11 11 GLU H H 11 8.760 8.760 8.067 0.693 17897 756 1 4 . 1 1 12 12 LYS N N 12 122.969 122.969 119.143 3.826 17897 757 1 4 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.147 0.114 17897 758 1 4 . 1 1 12 12 LYS CA C 12 60.217 60.217 57.660 2.557 17897 759 1 4 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.423 0.475 17897 760 1 4 . 1 1 12 12 LYS H H 12 8.300 8.300 7.847 0.453 17897 761 1 4 . 1 1 13 13 LYS N N 13 116.249 116.249 117.497 -1.248 17897 762 1 4 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.244 0.069 17897 763 1 4 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.430 0.416 17897 764 1 4 . 1 1 13 13 LYS CB C 13 31.753 31.753 33.074 -1.321 17897 765 1 4 . 1 1 13 13 LYS H H 13 7.807 7.807 7.600 0.207 17897 766 1 4 . 1 1 14 14 LYS N N 14 115.342 115.342 116.743 -1.401 17897 767 1 4 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.977 0.106 17897 768 1 4 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.600 0.454 17897 769 1 4 . 1 1 14 14 LYS H H 14 8.128 8.128 8.030 0.098 17897 770 1 4 . 1 1 15 15 ILE N N 15 118.385 118.385 114.061 4.324 17897 771 1 4 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.709 -0.103 17897 772 1 4 . 1 1 15 15 ILE CA C 15 59.803 59.803 58.825 0.978 17897 773 1 4 . 1 1 15 15 ILE H H 15 7.601 7.601 7.597 0.004 17897 774 1 4 . 1 1 16 16 SER N N 16 125.109 125.109 122.928 2.181 17897 775 1 4 . 1 1 16 16 SER HA H 16 4.582 4.582 4.373 0.209 17897 776 1 4 . 1 1 16 16 SER CA C 16 57.628 57.628 57.491 0.137 17897 777 1 4 . 1 1 16 16 SER H H 16 9.528 9.528 8.596 0.932 17897 778 1 4 . 1 1 17 17 GLN N N 17 120.159 120.159 119.523 0.636 17897 779 1 4 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.052 -0.169 17897 780 1 4 . 1 1 17 17 GLN CA C 17 62.611 62.611 58.963 3.648 17897 781 1 4 . 1 1 17 17 GLN H H 17 9.587 9.587 8.856 0.731 17897 782 1 4 . 1 1 18 18 SER N N 18 113.031 113.031 114.814 -1.783 17897 783 1 4 . 1 1 18 18 SER H H 18 9.072 9.072 8.550 0.522 17897 784 1 4 . 1 1 19 19 GLU N N 19 124.022 124.022 121.666 2.356 17897 785 1 4 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.070 0.147 17897 786 1 4 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.372 0.325 17897 787 1 4 . 1 1 19 19 GLU H H 19 8.409 8.409 7.894 0.515 17897 788 1 4 . 1 1 20 20 LEU N N 20 119.979 119.979 119.290 0.689 17897 789 1 4 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.973 0.143 17897 790 1 4 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.934 0.462 17897 791 1 4 . 1 1 20 20 LEU H H 20 8.381 8.381 7.650 0.731 17897 792 1 4 . 1 1 21 21 ALA N N 21 119.822 119.822 120.990 -1.168 17897 793 1 4 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.207 -0.592 17897 794 1 4 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.431 0.312 17897 795 1 4 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.284 -0.610 17897 796 1 4 . 1 1 21 21 ALA H H 21 8.670 8.670 7.576 1.094 17897 797 1 4 . 1 1 22 22 ALA N N 22 117.186 117.186 122.456 -5.270 17897 798 1 4 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.020 0.286 17897 799 1 4 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.792 0.740 17897 800 1 4 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.462 0.007 17897 801 1 4 . 1 1 22 22 ALA H H 22 7.869 7.869 8.760 -0.891 17897 802 1 4 . 1 1 23 23 LEU N N 23 118.476 118.476 117.116 1.360 17897 803 1 4 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.950 0.139 17897 804 1 4 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.319 0.808 17897 805 1 4 . 1 1 23 23 LEU H H 23 7.581 7.581 7.816 -0.235 17897 806 1 4 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.192 0.120 17897 807 1 4 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.466 0.234 17897 808 1 4 . 1 1 25 25 GLU N N 25 114.844 114.844 116.162 -1.318 17897 809 1 4 . 1 1 25 25 GLU HA H 25 4.084 4.084 4.008 0.076 17897 810 1 4 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.463 0.770 17897 811 1 4 . 1 1 25 25 GLU H H 25 8.076 8.076 8.388 -0.312 17897 812 1 4 . 1 1 26 26 VAL N N 26 109.651 109.651 111.416 -1.765 17897 813 1 4 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.546 0.347 17897 814 1 4 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.263 -0.143 17897 815 1 4 . 1 1 26 26 VAL H H 26 8.037 8.037 7.110 0.927 17897 816 1 4 . 1 1 27 27 SER N N 27 114.367 114.367 117.039 -2.672 17897 817 1 4 . 1 1 27 27 SER CB C 27 63.110 63.110 62.852 0.258 17897 818 1 4 . 1 1 27 27 SER H H 27 8.694 8.694 8.759 -0.065 17897 819 1 4 . 1 1 28 28 ARG N N 28 115.247 115.247 123.234 -7.987 17897 820 1 4 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.948 -0.169 17897 821 1 4 . 1 1 28 28 ARG CA C 28 60.683 60.683 59.073 1.610 17897 822 1 4 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.529 0.360 17897 823 1 4 . 1 1 28 28 ARG H H 28 8.301 8.301 8.106 0.195 17897 824 1 4 . 1 1 29 29 GLN N N 29 117.269 117.269 117.215 0.054 17897 825 1 4 . 1 1 29 29 GLN HA H 29 4.237 4.237 3.997 0.240 17897 826 1 4 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.339 0.674 17897 827 1 4 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.426 -0.028 17897 828 1 4 . 1 1 29 29 GLN H H 29 8.882 8.882 7.897 0.985 17897 829 1 4 . 1 1 30 30 THR N N 30 119.977 119.977 113.903 6.074 17897 830 1 4 . 1 1 30 30 THR HA H 30 4.601 4.601 4.064 0.537 17897 831 1 4 . 1 1 30 30 THR CA C 30 68.731 68.731 66.138 2.593 17897 832 1 4 . 1 1 30 30 THR CB C 30 67.567 67.567 68.573 -1.006 17897 833 1 4 . 1 1 30 30 THR H H 30 8.203 8.203 8.130 0.073 17897 834 1 4 . 1 1 31 31 ILE N N 31 118.714 118.714 117.405 1.309 17897 835 1 4 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.139 -0.354 17897 836 1 4 . 1 1 31 31 ILE CA C 31 62.155 62.155 62.952 -0.797 17897 837 1 4 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.591 -1.765 17897 838 1 4 . 1 1 31 31 ILE H H 31 7.197 7.197 7.754 -0.557 17897 839 1 4 . 1 1 32 32 ASN N N 32 118.007 118.007 121.119 -3.112 17897 840 1 4 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.677 -0.331 17897 841 1 4 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.959 1.099 17897 842 1 4 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.579 1.475 17897 843 1 4 . 1 1 32 32 ASN H H 32 8.730 8.730 8.886 -0.156 17897 844 1 4 . 1 1 33 33 GLY N N 33 124.914 124.914 108.715 16.199 17897 845 1 4 . 1 1 33 33 GLY H H 33 8.713 8.713 8.090 0.623 17897 846 1 4 . 1 1 34 34 ILE N N 34 122.110 122.110 122.743 -0.633 17897 847 1 4 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.739 0.612 17897 848 1 4 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.179 2.264 17897 849 1 4 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.145 2.041 17897 850 1 4 . 1 1 34 34 ILE H H 34 8.246 8.246 7.631 0.615 17897 851 1 4 . 1 1 35 35 GLU N N 35 120.672 120.672 117.932 2.740 17897 852 1 4 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.135 0.192 17897 853 1 4 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.480 1.208 17897 854 1 4 . 1 1 35 35 GLU H H 35 8.684 8.684 8.716 -0.032 17897 855 1 4 . 1 1 36 36 LYS N N 36 115.941 115.941 116.595 -0.654 17897 856 1 4 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.406 0.206 17897 857 1 4 . 1 1 36 36 LYS CA C 36 56.301 56.301 56.547 -0.246 17897 858 1 4 . 1 1 36 36 LYS H H 36 8.152 8.152 7.892 0.260 17897 859 1 4 . 1 1 37 37 ASN N N 37 114.474 114.474 117.482 -3.008 17897 860 1 4 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.532 0.366 17897 861 1 4 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.476 0.584 17897 862 1 4 . 1 1 37 37 ASN CB C 37 37.776 37.776 39.167 -1.391 17897 863 1 4 . 1 1 37 37 ASN H H 37 8.263 8.263 8.405 -0.142 17897 864 1 4 . 1 1 38 38 LYS N N 38 115.022 115.022 116.547 -1.525 17897 865 1 4 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.096 0.384 17897 866 1 4 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.987 -1.143 17897 867 1 4 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.691 0.340 17897 868 1 4 . 1 1 38 38 LYS H H 38 8.789 8.789 7.695 1.094 17897 869 1 4 . 1 1 39 39 TYR N N 39 116.894 116.894 117.975 -1.081 17897 870 1 4 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.746 -0.051 17897 871 1 4 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.289 0.034 17897 872 1 4 . 1 1 39 39 TYR H H 39 7.120 7.120 7.538 -0.418 17897 873 1 4 . 1 1 40 40 ASN N N 40 123.571 123.571 117.510 6.061 17897 874 1 4 . 1 1 40 40 ASN H H 40 8.925 8.925 8.426 0.499 17897 875 1 4 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.367 -0.512 17897 876 1 4 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.829 -0.257 17897 877 1 4 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.912 0.549 17897 878 1 4 . 1 1 42 42 SER N N 42 125.757 125.757 119.079 6.678 17897 879 1 4 . 1 1 42 42 SER HA H 42 4.596 4.596 4.519 0.077 17897 880 1 4 . 1 1 42 42 SER CA C 42 58.235 58.235 57.978 0.257 17897 881 1 4 . 1 1 42 42 SER H H 42 8.113 8.113 8.302 -0.189 17897 882 1 4 . 1 1 43 43 LEU N N 43 120.595 120.595 127.117 -6.522 17897 883 1 4 . 1 1 43 43 LEU HA H 43 4.027 4.027 4.006 0.021 17897 884 1 4 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.404 -0.323 17897 885 1 4 . 1 1 43 43 LEU H H 43 9.354 9.354 8.917 0.437 17897 886 1 4 . 1 1 44 44 GLN N N 44 116.009 116.009 118.633 -2.624 17897 887 1 4 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.334 -0.577 17897 888 1 4 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.464 1.276 17897 889 1 4 . 1 1 44 44 GLN H H 44 8.964 8.964 8.463 0.501 17897 890 1 4 . 1 1 45 45 LEU N N 45 119.443 119.443 120.264 -0.821 17897 891 1 4 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.179 -0.534 17897 892 1 4 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.165 -2.466 17897 893 1 4 . 1 1 45 45 LEU H H 45 8.167 8.167 7.782 0.385 17897 894 1 4 . 1 1 46 46 ALA N N 46 120.477 120.477 122.229 -1.752 17897 895 1 4 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.073 -0.044 17897 896 1 4 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.149 1.336 17897 897 1 4 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.381 2.272 17897 898 1 4 . 1 1 46 46 ALA H H 46 8.559 8.559 8.648 -0.089 17897 899 1 4 . 1 1 47 47 LEU N N 47 116.564 116.564 120.135 -3.571 17897 900 1 4 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.898 0.284 17897 901 1 4 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.716 0.685 17897 902 1 4 . 1 1 47 47 LEU H H 47 8.787 8.787 8.682 0.105 17897 903 1 4 . 1 1 48 48 LYS N N 48 121.007 121.007 118.594 2.413 17897 904 1 4 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.038 -0.318 17897 905 1 4 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.432 1.307 17897 906 1 4 . 1 1 48 48 LYS H H 48 8.106 8.106 7.494 0.612 17897 907 1 4 . 1 1 49 49 ILE N N 49 120.417 120.417 118.758 1.659 17897 908 1 4 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.149 -0.475 17897 909 1 4 . 1 1 49 49 ILE CA C 49 67.644 67.644 62.380 5.264 17897 910 1 4 . 1 1 49 49 ILE H H 49 8.831 8.831 7.576 1.255 17897 911 1 4 . 1 1 50 50 ALA N N 50 120.372 120.372 124.528 -4.156 17897 912 1 4 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.835 0.261 17897 913 1 4 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.398 0.814 17897 914 1 4 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.290 1.540 17897 915 1 4 . 1 1 50 50 ALA H H 50 8.235 8.235 8.573 -0.338 17897 916 1 4 . 1 1 51 51 TYR N N 51 116.980 116.980 116.825 0.155 17897 917 1 4 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.173 0.182 17897 918 1 4 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.872 0.460 17897 919 1 4 . 1 1 51 51 TYR H H 51 8.209 8.209 8.144 0.065 17897 920 1 4 . 1 1 52 52 TYR N N 52 118.569 118.569 119.383 -0.814 17897 921 1 4 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.211 0.112 17897 922 1 4 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.593 3.383 17897 923 1 4 . 1 1 52 52 TYR H H 52 9.129 9.129 7.867 1.262 17897 924 1 4 . 1 1 53 53 LEU N N 53 115.377 115.377 119.934 -4.557 17897 925 1 4 . 1 1 53 53 LEU HA H 53 4.587 4.587 3.718 0.869 17897 926 1 4 . 1 1 53 53 LEU CA C 53 54.973 54.973 57.834 -2.861 17897 927 1 4 . 1 1 53 53 LEU H H 53 8.475 8.475 8.805 -0.330 17897 928 1 4 . 1 1 54 54 ASN N N 54 122.061 122.061 115.416 6.645 17897 929 1 4 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.223 0.299 17897 930 1 4 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.807 -0.239 17897 931 1 4 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.924 0.561 17897 932 1 4 . 1 1 54 54 ASN H H 54 8.121 8.121 8.574 -0.453 17897 933 1 4 . 1 1 55 55 THR N N 55 114.942 114.942 114.949 -0.007 17897 934 1 4 . 1 1 55 55 THR HA H 55 5.060 5.060 4.780 0.280 17897 935 1 4 . 1 1 55 55 THR CA C 55 61.017 61.017 60.143 0.874 17897 936 1 4 . 1 1 55 55 THR CB C 55 75.522 75.522 69.399 6.123 17897 937 1 4 . 1 1 55 55 THR H H 55 8.315 8.315 7.416 0.899 17897 938 1 4 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.420 0.188 17897 939 1 4 . 1 1 56 56 PRO CA C 56 63.358 63.358 63.484 -0.126 17897 940 1 4 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.393 -0.184 17897 941 1 4 . 1 1 57 57 LEU CA C 57 60.622 60.622 55.742 4.880 17897 942 1 4 . 1 1 58 58 GLU N N 58 123.065 123.065 121.691 1.374 17897 943 1 4 . 1 1 58 58 GLU HA H 58 4.912 4.912 3.877 1.035 17897 944 1 4 . 1 1 58 58 GLU CA C 58 59.525 59.525 60.294 -0.768 17897 945 1 4 . 1 1 58 58 GLU H H 58 9.418 9.418 8.386 1.032 17897 946 1 4 . 1 1 59 59 ASP N N 59 117.640 117.640 119.333 -1.693 17897 947 1 4 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.494 0.084 17897 948 1 4 . 1 1 59 59 ASP CA C 59 56.980 56.980 57.182 -0.202 17897 949 1 4 . 1 1 59 59 ASP H H 59 8.073 8.073 7.862 0.211 17897 950 1 4 . 1 1 60 60 ILE N N 60 119.506 119.506 119.929 -0.423 17897 951 1 4 . 1 1 60 60 ILE H H 60 8.276 8.276 7.422 0.854 17897 952 1 4 . 1 1 61 61 PHE N N 61 115.913 115.913 119.053 -3.140 17897 953 1 4 . 1 1 61 61 PHE H H 61 8.567 8.567 8.520 0.047 17897 954 1 4 . 1 1 63 63 TRP N N 63 125.522 125.522 117.974 7.548 17897 955 1 4 . 1 1 63 63 TRP H H 63 9.524 9.524 8.412 1.112 17897 956 1 4 . 1 1 64 64 GLN N N 64 127.251 127.251 122.037 5.214 17897 957 1 4 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.656 1.917 17897 958 1 4 . 1 1 64 64 GLN H H 64 8.048 8.048 6.362 1.687 17897 959 1 4 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.667 -0.070 17897 960 1 4 . 1 1 65 65 PRO CA C 65 62.029 62.029 64.315 -2.286 17897 961 1 5 . 1 1 2 2 ILE N N 2 122.866 122.866 119.983 2.883 17897 962 1 5 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.618 1.205 17897 963 1 5 . 1 1 2 2 ILE H H 2 9.234 9.234 7.771 1.463 17897 964 1 5 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.133 0.347 17897 965 1 5 . 1 1 3 3 ILE CA C 3 60.663 60.663 59.631 1.032 17897 966 1 5 . 1 1 3 3 ILE CB C 3 39.555 39.555 34.859 4.696 17897 967 1 5 . 1 1 4 4 ASN N N 4 124.006 124.006 123.184 0.822 17897 968 1 5 . 1 1 4 4 ASN H H 4 9.158 9.158 8.193 0.965 17897 969 1 5 . 1 1 6 6 LEU N N 6 120.561 120.561 123.309 -2.748 17897 970 1 5 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.006 -0.227 17897 971 1 5 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.853 2.745 17897 972 1 5 . 1 1 6 6 LEU H H 6 8.637 8.637 8.264 0.373 17897 973 1 5 . 1 1 7 7 LYS N N 7 118.177 118.177 119.641 -1.464 17897 974 1 5 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.967 0.004 17897 975 1 5 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.757 1.563 17897 976 1 5 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.884 0.550 17897 977 1 5 . 1 1 7 7 LYS H H 7 9.010 9.010 7.565 1.445 17897 978 1 5 . 1 1 8 8 LEU N N 8 116.280 116.280 118.997 -2.717 17897 979 1 5 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.094 0.068 17897 980 1 5 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.387 0.903 17897 981 1 5 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.876 0.883 17897 982 1 5 . 1 1 8 8 LEU H H 8 7.762 7.762 7.789 -0.027 17897 983 1 5 . 1 1 9 9 ILE N N 9 119.178 119.178 118.658 0.520 17897 984 1 5 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.715 0.149 17897 985 1 5 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.131 0.770 17897 986 1 5 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.753 0.931 17897 987 1 5 . 1 1 9 9 ILE H H 9 8.277 8.277 8.124 0.153 17897 988 1 5 . 1 1 10 10 ARG N N 10 120.083 120.083 120.682 -0.599 17897 989 1 5 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.837 0.041 17897 990 1 5 . 1 1 10 10 ARG CA C 10 61.826 61.826 59.865 1.960 17897 991 1 5 . 1 1 10 10 ARG H H 10 9.313 9.313 8.731 0.582 17897 992 1 5 . 1 1 11 11 GLU N N 11 115.851 115.851 117.010 -1.159 17897 993 1 5 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.018 0.221 17897 994 1 5 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.844 1.442 17897 995 1 5 . 1 1 11 11 GLU H H 11 8.760 8.760 7.796 0.964 17897 996 1 5 . 1 1 12 12 LYS N N 12 122.969 122.969 119.460 3.509 17897 997 1 5 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.100 0.161 17897 998 1 5 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.497 1.720 17897 999 1 5 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.280 0.618 17897 1000 1 5 . 1 1 12 12 LYS H H 12 8.300 8.300 7.682 0.618 17897 1001 1 5 . 1 1 13 13 LYS N N 13 116.249 116.249 117.434 -1.185 17897 1002 1 5 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.137 0.176 17897 1003 1 5 . 1 1 13 13 LYS CA C 13 55.846 55.846 56.495 -0.648 17897 1004 1 5 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.494 -0.741 17897 1005 1 5 . 1 1 13 13 LYS H H 13 7.807 7.807 7.734 0.073 17897 1006 1 5 . 1 1 14 14 LYS N N 14 115.342 115.342 114.678 0.664 17897 1007 1 5 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.966 0.117 17897 1008 1 5 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.599 0.455 17897 1009 1 5 . 1 1 14 14 LYS H H 14 8.128 8.128 7.948 0.180 17897 1010 1 5 . 1 1 15 15 ILE N N 15 118.385 118.385 115.526 2.859 17897 1011 1 5 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.454 0.152 17897 1012 1 5 . 1 1 15 15 ILE CA C 15 59.803 59.803 60.091 -0.288 17897 1013 1 5 . 1 1 15 15 ILE H H 15 7.601 7.601 7.397 0.204 17897 1014 1 5 . 1 1 16 16 SER N N 16 125.109 125.109 121.433 3.676 17897 1015 1 5 . 1 1 16 16 SER HA H 16 4.582 4.582 4.354 0.228 17897 1016 1 5 . 1 1 16 16 SER CA C 16 57.628 57.628 58.704 -1.076 17897 1017 1 5 . 1 1 16 16 SER H H 16 9.528 9.528 8.690 0.838 17897 1018 1 5 . 1 1 17 17 GLN N N 17 120.159 120.159 125.459 -5.300 17897 1019 1 5 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.048 -0.165 17897 1020 1 5 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.549 3.062 17897 1021 1 5 . 1 1 17 17 GLN H H 17 9.587 9.587 8.985 0.602 17897 1022 1 5 . 1 1 18 18 SER N N 18 113.031 113.031 115.255 -2.224 17897 1023 1 5 . 1 1 18 18 SER H H 18 9.072 9.072 8.393 0.679 17897 1024 1 5 . 1 1 19 19 GLU N N 19 124.022 124.022 122.089 1.933 17897 1025 1 5 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.096 0.121 17897 1026 1 5 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.538 1.159 17897 1027 1 5 . 1 1 19 19 GLU H H 19 8.409 8.409 7.451 0.958 17897 1028 1 5 . 1 1 20 20 LEU N N 20 119.979 119.979 121.244 -1.265 17897 1029 1 5 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.991 0.125 17897 1030 1 5 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.613 0.782 17897 1031 1 5 . 1 1 20 20 LEU H H 20 8.381 8.381 8.363 0.018 17897 1032 1 5 . 1 1 21 21 ALA N N 21 119.822 119.822 121.557 -1.735 17897 1033 1 5 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.050 -0.435 17897 1034 1 5 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.916 -0.173 17897 1035 1 5 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.191 -0.517 17897 1036 1 5 . 1 1 21 21 ALA H H 21 8.670 8.670 9.077 -0.407 17897 1037 1 5 . 1 1 22 22 ALA N N 22 117.186 117.186 121.467 -4.281 17897 1038 1 5 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.031 0.275 17897 1039 1 5 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.559 0.974 17897 1040 1 5 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.114 0.355 17897 1041 1 5 . 1 1 22 22 ALA H H 22 7.869 7.869 8.375 -0.506 17897 1042 1 5 . 1 1 23 23 LEU N N 23 118.476 118.476 118.262 0.214 17897 1043 1 5 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.878 0.211 17897 1044 1 5 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.185 0.942 17897 1045 1 5 . 1 1 23 23 LEU H H 23 7.581 7.581 7.446 0.135 17897 1046 1 5 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.201 0.111 17897 1047 1 5 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.072 0.628 17897 1048 1 5 . 1 1 25 25 GLU N N 25 114.844 114.844 117.149 -2.305 17897 1049 1 5 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.970 0.114 17897 1050 1 5 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.562 0.671 17897 1051 1 5 . 1 1 25 25 GLU H H 25 8.076 8.076 8.260 -0.184 17897 1052 1 5 . 1 1 26 26 VAL N N 26 109.651 109.651 112.784 -3.133 17897 1053 1 5 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.539 0.354 17897 1054 1 5 . 1 1 26 26 VAL CA C 26 59.120 59.120 60.038 -0.917 17897 1055 1 5 . 1 1 26 26 VAL H H 26 8.037 8.037 7.125 0.912 17897 1056 1 5 . 1 1 27 27 SER N N 27 114.367 114.367 117.081 -2.714 17897 1057 1 5 . 1 1 27 27 SER CB C 27 63.110 63.110 62.547 0.563 17897 1058 1 5 . 1 1 27 27 SER H H 27 8.694 8.694 8.676 0.018 17897 1059 1 5 . 1 1 28 28 ARG N N 28 115.247 115.247 122.869 -7.622 17897 1060 1 5 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.931 -0.152 17897 1061 1 5 . 1 1 28 28 ARG CA C 28 60.683 60.683 59.189 1.494 17897 1062 1 5 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.352 0.537 17897 1063 1 5 . 1 1 28 28 ARG H H 28 8.301 8.301 8.338 -0.037 17897 1064 1 5 . 1 1 29 29 GLN N N 29 117.269 117.269 116.486 0.783 17897 1065 1 5 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.010 0.227 17897 1066 1 5 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.972 1.041 17897 1067 1 5 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.397 0.001 17897 1068 1 5 . 1 1 29 29 GLN H H 29 8.882 8.882 7.818 1.064 17897 1069 1 5 . 1 1 30 30 THR N N 30 119.977 119.977 115.529 4.448 17897 1070 1 5 . 1 1 30 30 THR HA H 30 4.601 4.601 4.096 0.505 17897 1071 1 5 . 1 1 30 30 THR CA C 30 68.731 68.731 66.156 2.575 17897 1072 1 5 . 1 1 30 30 THR CB C 30 67.567 67.567 68.635 -1.068 17897 1073 1 5 . 1 1 30 30 THR H H 30 8.203 8.203 8.272 -0.069 17897 1074 1 5 . 1 1 31 31 ILE N N 31 118.714 118.714 118.312 0.402 17897 1075 1 5 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.036 -0.251 17897 1076 1 5 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.413 -1.258 17897 1077 1 5 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.348 -1.522 17897 1078 1 5 . 1 1 31 31 ILE H H 31 7.197 7.197 7.686 -0.489 17897 1079 1 5 . 1 1 32 32 ASN N N 32 118.007 118.007 120.095 -2.088 17897 1080 1 5 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.582 -0.236 17897 1081 1 5 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.937 1.121 17897 1082 1 5 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.389 1.665 17897 1083 1 5 . 1 1 32 32 ASN H H 32 8.730 8.730 8.920 -0.190 17897 1084 1 5 . 1 1 33 33 GLY N N 33 124.914 124.914 109.073 15.841 17897 1085 1 5 . 1 1 33 33 GLY H H 33 8.713 8.713 7.722 0.991 17897 1086 1 5 . 1 1 34 34 ILE N N 34 122.110 122.110 122.280 -0.170 17897 1087 1 5 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.804 0.547 17897 1088 1 5 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.847 1.596 17897 1089 1 5 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.161 1.025 17897 1090 1 5 . 1 1 34 34 ILE H H 34 8.246 8.246 7.645 0.601 17897 1091 1 5 . 1 1 35 35 GLU N N 35 120.672 120.672 119.827 0.845 17897 1092 1 5 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.075 0.252 17897 1093 1 5 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.631 1.058 17897 1094 1 5 . 1 1 35 35 GLU H H 35 8.684 8.684 8.186 0.498 17897 1095 1 5 . 1 1 36 36 LYS N N 36 115.941 115.941 117.969 -2.028 17897 1096 1 5 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.035 0.577 17897 1097 1 5 . 1 1 36 36 LYS CA C 36 56.301 56.301 60.140 -3.839 17897 1098 1 5 . 1 1 36 36 LYS H H 36 8.152 8.152 8.187 -0.035 17897 1099 1 5 . 1 1 37 37 ASN N N 37 114.474 114.474 116.963 -2.489 17897 1100 1 5 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.564 0.334 17897 1101 1 5 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.644 0.416 17897 1102 1 5 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.420 -0.644 17897 1103 1 5 . 1 1 37 37 ASN H H 37 8.263 8.263 8.029 0.234 17897 1104 1 5 . 1 1 38 38 LYS N N 38 115.022 115.022 119.125 -4.103 17897 1105 1 5 . 1 1 38 38 LYS HA H 38 4.480 4.480 3.884 0.596 17897 1106 1 5 . 1 1 38 38 LYS CA C 38 56.844 56.844 58.397 -1.552 17897 1107 1 5 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.534 1.497 17897 1108 1 5 . 1 1 38 38 LYS H H 38 8.789 8.789 7.634 1.155 17897 1109 1 5 . 1 1 39 39 TYR N N 39 116.894 116.894 116.424 0.470 17897 1110 1 5 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.740 -0.045 17897 1111 1 5 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.454 -0.131 17897 1112 1 5 . 1 1 39 39 TYR H H 39 7.120 7.120 7.676 -0.556 17897 1113 1 5 . 1 1 40 40 ASN N N 40 123.571 123.571 117.433 6.138 17897 1114 1 5 . 1 1 40 40 ASN H H 40 8.925 8.925 8.410 0.515 17897 1115 1 5 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.527 -0.672 17897 1116 1 5 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.292 0.280 17897 1117 1 5 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.280 0.181 17897 1118 1 5 . 1 1 42 42 SER N N 42 125.757 125.757 118.228 7.529 17897 1119 1 5 . 1 1 42 42 SER HA H 42 4.596 4.596 4.459 0.137 17897 1120 1 5 . 1 1 42 42 SER CA C 42 58.235 58.235 58.670 -0.436 17897 1121 1 5 . 1 1 42 42 SER H H 42 8.113 8.113 8.335 -0.222 17897 1122 1 5 . 1 1 43 43 LEU N N 43 120.595 120.595 127.286 -6.691 17897 1123 1 5 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.940 0.087 17897 1124 1 5 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.472 -0.391 17897 1125 1 5 . 1 1 43 43 LEU H H 43 9.354 9.354 8.811 0.543 17897 1126 1 5 . 1 1 44 44 GLN N N 44 116.009 116.009 118.916 -2.907 17897 1127 1 5 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.097 -0.340 17897 1128 1 5 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.063 1.677 17897 1129 1 5 . 1 1 44 44 GLN H H 44 8.964 8.964 8.500 0.464 17897 1130 1 5 . 1 1 45 45 LEU N N 45 119.443 119.443 120.030 -0.587 17897 1131 1 5 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.087 -0.442 17897 1132 1 5 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.369 -2.670 17897 1133 1 5 . 1 1 45 45 LEU H H 45 8.167 8.167 7.897 0.270 17897 1134 1 5 . 1 1 46 46 ALA N N 46 120.477 120.477 122.883 -2.406 17897 1135 1 5 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.009 0.020 17897 1136 1 5 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.366 1.119 17897 1137 1 5 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.202 2.451 17897 1138 1 5 . 1 1 46 46 ALA H H 46 8.559 8.559 8.777 -0.218 17897 1139 1 5 . 1 1 47 47 LEU N N 47 116.564 116.564 117.791 -1.227 17897 1140 1 5 . 1 1 47 47 LEU HA H 47 4.182 4.182 4.033 0.149 17897 1141 1 5 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.830 0.571 17897 1142 1 5 . 1 1 47 47 LEU H H 47 8.787 8.787 8.826 -0.039 17897 1143 1 5 . 1 1 48 48 LYS N N 48 121.007 121.007 118.756 2.251 17897 1144 1 5 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.142 -0.422 17897 1145 1 5 . 1 1 48 48 LYS CA C 48 60.739 60.739 58.902 1.837 17897 1146 1 5 . 1 1 48 48 LYS H H 48 8.106 8.106 7.538 0.568 17897 1147 1 5 . 1 1 49 49 ILE N N 49 120.417 120.417 115.694 4.723 17897 1148 1 5 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.179 -0.505 17897 1149 1 5 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.612 4.032 17897 1150 1 5 . 1 1 49 49 ILE H H 49 8.831 8.831 8.603 0.228 17897 1151 1 5 . 1 1 50 50 ALA N N 50 120.372 120.372 124.137 -3.765 17897 1152 1 5 . 1 1 50 50 ALA HA H 50 4.096 4.096 4.012 0.084 17897 1153 1 5 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.105 1.107 17897 1154 1 5 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.907 0.923 17897 1155 1 5 . 1 1 50 50 ALA H H 50 8.235 8.235 8.856 -0.621 17897 1156 1 5 . 1 1 51 51 TYR N N 51 116.980 116.980 119.265 -2.285 17897 1157 1 5 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.166 0.189 17897 1158 1 5 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.749 0.583 17897 1159 1 5 . 1 1 51 51 TYR H H 51 8.209 8.209 7.765 0.444 17897 1160 1 5 . 1 1 52 52 TYR N N 52 118.569 118.569 116.957 1.612 17897 1161 1 5 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.037 0.286 17897 1162 1 5 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.886 3.090 17897 1163 1 5 . 1 1 52 52 TYR H H 52 9.129 9.129 7.791 1.338 17897 1164 1 5 . 1 1 53 53 LEU N N 53 115.377 115.377 118.811 -3.434 17897 1165 1 5 . 1 1 53 53 LEU HA H 53 4.587 4.587 3.969 0.618 17897 1166 1 5 . 1 1 53 53 LEU CA C 53 54.973 54.973 57.155 -2.182 17897 1167 1 5 . 1 1 53 53 LEU H H 53 8.475 8.475 8.725 -0.250 17897 1168 1 5 . 1 1 54 54 ASN N N 54 122.061 122.061 115.980 6.081 17897 1169 1 5 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.365 0.157 17897 1170 1 5 . 1 1 54 54 ASN CA C 54 54.568 54.568 53.861 0.707 17897 1171 1 5 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.888 0.598 17897 1172 1 5 . 1 1 54 54 ASN H H 54 8.121 8.121 8.741 -0.620 17897 1173 1 5 . 1 1 55 55 THR N N 55 114.942 114.942 116.381 -1.439 17897 1174 1 5 . 1 1 55 55 THR HA H 55 5.060 5.060 4.645 0.415 17897 1175 1 5 . 1 1 55 55 THR CA C 55 61.017 61.017 59.779 1.238 17897 1176 1 5 . 1 1 55 55 THR CB C 55 75.522 75.522 70.383 5.139 17897 1177 1 5 . 1 1 55 55 THR H H 55 8.315 8.315 7.476 0.839 17897 1178 1 5 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.494 0.114 17897 1179 1 5 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.792 0.566 17897 1180 1 5 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.923 0.286 17897 1181 1 5 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.478 2.144 17897 1182 1 5 . 1 1 58 58 GLU N N 58 123.065 123.065 119.874 3.191 17897 1183 1 5 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.264 0.648 17897 1184 1 5 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.184 0.341 17897 1185 1 5 . 1 1 58 58 GLU H H 58 9.418 9.418 8.691 0.727 17897 1186 1 5 . 1 1 59 59 ASP N N 59 117.640 117.640 118.876 -1.236 17897 1187 1 5 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.439 0.139 17897 1188 1 5 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.426 0.554 17897 1189 1 5 . 1 1 59 59 ASP H H 59 8.073 8.073 7.679 0.394 17897 1190 1 5 . 1 1 60 60 ILE N N 60 119.506 119.506 120.829 -1.323 17897 1191 1 5 . 1 1 60 60 ILE H H 60 8.276 8.276 7.337 0.939 17897 1192 1 5 . 1 1 61 61 PHE N N 61 115.913 115.913 118.555 -2.642 17897 1193 1 5 . 1 1 61 61 PHE H H 61 8.567 8.567 8.610 -0.043 17897 1194 1 5 . 1 1 63 63 TRP N N 63 125.522 125.522 117.189 8.333 17897 1195 1 5 . 1 1 63 63 TRP H H 63 9.524 9.524 7.958 1.566 17897 1196 1 5 . 1 1 64 64 GLN N N 64 127.251 127.251 119.431 7.820 17897 1197 1 5 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.286 3.287 17897 1198 1 5 . 1 1 64 64 GLN H H 64 8.048 8.048 8.754 -0.706 17897 1199 1 5 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.393 0.204 17897 1200 1 5 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.972 -1.943 17897 1201 1 6 . 1 1 2 2 ILE N N 2 122.866 122.866 120.767 2.099 17897 1202 1 6 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.150 1.673 17897 1203 1 6 . 1 1 2 2 ILE H H 2 9.234 9.234 7.952 1.282 17897 1204 1 6 . 1 1 3 3 ILE HA H 3 4.480 4.480 3.825 0.655 17897 1205 1 6 . 1 1 3 3 ILE CA C 3 60.663 60.663 64.455 -3.792 17897 1206 1 6 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.543 2.012 17897 1207 1 6 . 1 1 4 4 ASN N N 4 124.006 124.006 117.040 6.966 17897 1208 1 6 . 1 1 4 4 ASN H H 4 9.158 9.158 8.010 1.148 17897 1209 1 6 . 1 1 6 6 LEU N N 6 120.561 120.561 125.050 -4.489 17897 1210 1 6 . 1 1 6 6 LEU HA H 6 3.779 3.779 3.951 -0.172 17897 1211 1 6 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.170 2.429 17897 1212 1 6 . 1 1 6 6 LEU H H 6 8.637 8.637 8.078 0.559 17897 1213 1 6 . 1 1 7 7 LYS N N 7 118.177 118.177 117.699 0.478 17897 1214 1 6 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.962 0.009 17897 1215 1 6 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.350 1.970 17897 1216 1 6 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.436 0.998 17897 1217 1 6 . 1 1 7 7 LYS H H 7 9.010 9.010 8.222 0.788 17897 1218 1 6 . 1 1 8 8 LEU N N 8 116.280 116.280 120.649 -4.369 17897 1219 1 6 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.067 0.095 17897 1220 1 6 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.289 1.001 17897 1221 1 6 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.781 0.978 17897 1222 1 6 . 1 1 8 8 LEU H H 8 7.762 7.762 7.569 0.193 17897 1223 1 6 . 1 1 9 9 ILE N N 9 119.178 119.178 120.329 -1.151 17897 1224 1 6 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.661 0.203 17897 1225 1 6 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.825 0.076 17897 1226 1 6 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.137 1.547 17897 1227 1 6 . 1 1 9 9 ILE H H 9 8.277 8.277 8.621 -0.344 17897 1228 1 6 . 1 1 10 10 ARG N N 10 120.083 120.083 119.846 0.237 17897 1229 1 6 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.911 -0.033 17897 1230 1 6 . 1 1 10 10 ARG CA C 10 61.826 61.826 59.678 2.148 17897 1231 1 6 . 1 1 10 10 ARG H H 10 9.313 9.313 8.103 1.210 17897 1232 1 6 . 1 1 11 11 GLU N N 11 115.851 115.851 119.680 -3.829 17897 1233 1 6 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.087 0.152 17897 1234 1 6 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.820 1.466 17897 1235 1 6 . 1 1 11 11 GLU H H 11 8.760 8.760 8.458 0.302 17897 1236 1 6 . 1 1 12 12 LYS N N 12 122.969 122.969 119.465 3.504 17897 1237 1 6 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.144 0.117 17897 1238 1 6 . 1 1 12 12 LYS CA C 12 60.217 60.217 57.853 2.364 17897 1239 1 6 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.423 0.475 17897 1240 1 6 . 1 1 12 12 LYS H H 12 8.300 8.300 8.493 -0.193 17897 1241 1 6 . 1 1 13 13 LYS N N 13 116.249 116.249 116.956 -0.707 17897 1242 1 6 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.234 0.079 17897 1243 1 6 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.618 0.228 17897 1244 1 6 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.917 -1.164 17897 1245 1 6 . 1 1 13 13 LYS H H 13 7.807 7.807 7.514 0.293 17897 1246 1 6 . 1 1 14 14 LYS N N 14 115.342 115.342 116.407 -1.065 17897 1247 1 6 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.948 0.135 17897 1248 1 6 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.729 0.325 17897 1249 1 6 . 1 1 14 14 LYS H H 14 8.128 8.128 7.993 0.135 17897 1250 1 6 . 1 1 15 15 ILE N N 15 118.385 118.385 114.026 4.359 17897 1251 1 6 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.598 0.008 17897 1252 1 6 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.696 0.107 17897 1253 1 6 . 1 1 15 15 ILE H H 15 7.601 7.601 7.467 0.134 17897 1254 1 6 . 1 1 16 16 SER N N 16 125.109 125.109 120.921 4.188 17897 1255 1 6 . 1 1 16 16 SER HA H 16 4.582 4.582 4.603 -0.021 17897 1256 1 6 . 1 1 16 16 SER CA C 16 57.628 57.628 57.659 -0.031 17897 1257 1 6 . 1 1 16 16 SER H H 16 9.528 9.528 9.462 0.066 17897 1258 1 6 . 1 1 17 17 GLN N N 17 120.159 120.159 122.273 -2.114 17897 1259 1 6 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.950 -0.067 17897 1260 1 6 . 1 1 17 17 GLN CA C 17 62.611 62.611 60.962 1.649 17897 1261 1 6 . 1 1 17 17 GLN H H 17 9.587 9.587 8.946 0.641 17897 1262 1 6 . 1 1 18 18 SER N N 18 113.031 113.031 115.153 -2.122 17897 1263 1 6 . 1 1 18 18 SER H H 18 9.072 9.072 8.508 0.564 17897 1264 1 6 . 1 1 19 19 GLU N N 19 124.022 124.022 121.895 2.127 17897 1265 1 6 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.041 0.176 17897 1266 1 6 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.292 0.405 17897 1267 1 6 . 1 1 19 19 GLU H H 19 8.409 8.409 8.218 0.191 17897 1268 1 6 . 1 1 20 20 LEU N N 20 119.979 119.979 120.037 -0.058 17897 1269 1 6 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.970 0.146 17897 1270 1 6 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.697 0.698 17897 1271 1 6 . 1 1 20 20 LEU H H 20 8.381 8.381 8.403 -0.022 17897 1272 1 6 . 1 1 21 21 ALA N N 21 119.822 119.822 120.982 -1.160 17897 1273 1 6 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.027 -0.412 17897 1274 1 6 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.826 -0.083 17897 1275 1 6 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.139 -0.465 17897 1276 1 6 . 1 1 21 21 ALA H H 21 8.670 8.670 8.868 -0.198 17897 1277 1 6 . 1 1 22 22 ALA N N 22 117.186 117.186 121.150 -3.964 17897 1278 1 6 . 1 1 22 22 ALA HA H 22 4.306 4.306 3.990 0.316 17897 1279 1 6 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.736 0.796 17897 1280 1 6 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.228 0.241 17897 1281 1 6 . 1 1 22 22 ALA H H 22 7.869 7.869 8.492 -0.623 17897 1282 1 6 . 1 1 23 23 LEU N N 23 118.476 118.476 117.946 0.530 17897 1283 1 6 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.880 0.209 17897 1284 1 6 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.180 0.947 17897 1285 1 6 . 1 1 23 23 LEU H H 23 7.581 7.581 7.590 -0.009 17897 1286 1 6 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.223 0.089 17897 1287 1 6 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.096 0.604 17897 1288 1 6 . 1 1 25 25 GLU N N 25 114.844 114.844 116.407 -1.563 17897 1289 1 6 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.968 0.116 17897 1290 1 6 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.282 0.951 17897 1291 1 6 . 1 1 25 25 GLU H H 25 8.076 8.076 8.417 -0.341 17897 1292 1 6 . 1 1 26 26 VAL N N 26 109.651 109.651 111.243 -1.592 17897 1293 1 6 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.459 0.434 17897 1294 1 6 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.466 -0.346 17897 1295 1 6 . 1 1 26 26 VAL H H 26 8.037 8.037 7.183 0.854 17897 1296 1 6 . 1 1 27 27 SER N N 27 114.367 114.367 117.377 -3.010 17897 1297 1 6 . 1 1 27 27 SER CB C 27 63.110 63.110 62.866 0.244 17897 1298 1 6 . 1 1 27 27 SER H H 27 8.694 8.694 8.709 -0.015 17897 1299 1 6 . 1 1 28 28 ARG N N 28 115.247 115.247 123.056 -7.809 17897 1300 1 6 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.885 -0.106 17897 1301 1 6 . 1 1 28 28 ARG CA C 28 60.683 60.683 59.427 1.256 17897 1302 1 6 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.328 0.561 17897 1303 1 6 . 1 1 28 28 ARG H H 28 8.301 8.301 8.438 -0.137 17897 1304 1 6 . 1 1 29 29 GLN N N 29 117.269 117.269 117.353 -0.084 17897 1305 1 6 . 1 1 29 29 GLN HA H 29 4.237 4.237 3.981 0.256 17897 1306 1 6 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.989 1.024 17897 1307 1 6 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.469 -0.071 17897 1308 1 6 . 1 1 29 29 GLN H H 29 8.882 8.882 7.818 1.064 17897 1309 1 6 . 1 1 30 30 THR N N 30 119.977 119.977 113.033 6.944 17897 1310 1 6 . 1 1 30 30 THR HA H 30 4.601 4.601 4.100 0.501 17897 1311 1 6 . 1 1 30 30 THR CA C 30 68.731 68.731 65.388 3.343 17897 1312 1 6 . 1 1 30 30 THR CB C 30 67.567 67.567 68.779 -1.212 17897 1313 1 6 . 1 1 30 30 THR H H 30 8.203 8.203 8.162 0.041 17897 1314 1 6 . 1 1 31 31 ILE N N 31 118.714 118.714 118.131 0.583 17897 1315 1 6 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.000 -0.215 17897 1316 1 6 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.539 -1.384 17897 1317 1 6 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.531 -1.705 17897 1318 1 6 . 1 1 31 31 ILE H H 31 7.197 7.197 7.466 -0.269 17897 1319 1 6 . 1 1 32 32 ASN N N 32 118.007 118.007 120.405 -2.398 17897 1320 1 6 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.514 -0.168 17897 1321 1 6 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.901 1.157 17897 1322 1 6 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.724 1.330 17897 1323 1 6 . 1 1 32 32 ASN H H 32 8.730 8.730 8.888 -0.158 17897 1324 1 6 . 1 1 33 33 GLY N N 33 124.914 124.914 108.550 16.364 17897 1325 1 6 . 1 1 33 33 GLY H H 33 8.713 8.713 7.628 1.085 17897 1326 1 6 . 1 1 34 34 ILE N N 34 122.110 122.110 122.850 -0.740 17897 1327 1 6 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.813 0.538 17897 1328 1 6 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.100 2.343 17897 1329 1 6 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.193 1.993 17897 1330 1 6 . 1 1 34 34 ILE H H 34 8.246 8.246 7.678 0.568 17897 1331 1 6 . 1 1 35 35 GLU N N 35 120.672 120.672 119.098 1.574 17897 1332 1 6 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.053 0.274 17897 1333 1 6 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.643 1.046 17897 1334 1 6 . 1 1 35 35 GLU H H 35 8.684 8.684 8.256 0.428 17897 1335 1 6 . 1 1 36 36 LYS N N 36 115.941 115.941 116.273 -0.332 17897 1336 1 6 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.291 0.321 17897 1337 1 6 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.492 -2.191 17897 1338 1 6 . 1 1 36 36 LYS H H 36 8.152 8.152 8.136 0.016 17897 1339 1 6 . 1 1 37 37 ASN N N 37 114.474 114.474 118.604 -4.130 17897 1340 1 6 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.497 0.401 17897 1341 1 6 . 1 1 37 37 ASN CA C 37 56.060 56.060 56.004 0.056 17897 1342 1 6 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.789 -1.014 17897 1343 1 6 . 1 1 37 37 ASN H H 37 8.263 8.263 8.927 -0.664 17897 1344 1 6 . 1 1 38 38 LYS N N 38 115.022 115.022 118.888 -3.866 17897 1345 1 6 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.166 0.314 17897 1346 1 6 . 1 1 38 38 LYS CA C 38 56.844 56.844 56.777 0.067 17897 1347 1 6 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.273 0.758 17897 1348 1 6 . 1 1 38 38 LYS H H 38 8.789 8.789 7.711 1.078 17897 1349 1 6 . 1 1 39 39 TYR N N 39 116.894 116.894 118.938 -2.044 17897 1350 1 6 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.623 0.072 17897 1351 1 6 . 1 1 39 39 TYR CA C 39 56.323 56.323 57.233 -0.910 17897 1352 1 6 . 1 1 39 39 TYR H H 39 7.120 7.120 8.658 -1.538 17897 1353 1 6 . 1 1 40 40 ASN N N 40 123.571 123.571 117.568 6.003 17897 1354 1 6 . 1 1 40 40 ASN H H 40 8.925 8.925 8.735 0.190 17897 1355 1 6 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.430 -0.575 17897 1356 1 6 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.556 0.016 17897 1357 1 6 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.273 0.188 17897 1358 1 6 . 1 1 42 42 SER N N 42 125.757 125.757 118.594 7.163 17897 1359 1 6 . 1 1 42 42 SER HA H 42 4.596 4.596 4.347 0.249 17897 1360 1 6 . 1 1 42 42 SER CA C 42 58.235 58.235 59.407 -1.172 17897 1361 1 6 . 1 1 42 42 SER H H 42 8.113 8.113 9.197 -1.084 17897 1362 1 6 . 1 1 43 43 LEU N N 43 120.595 120.595 128.298 -7.703 17897 1363 1 6 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.981 0.046 17897 1364 1 6 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.025 0.056 17897 1365 1 6 . 1 1 43 43 LEU H H 43 9.354 9.354 8.771 0.583 17897 1366 1 6 . 1 1 44 44 GLN N N 44 116.009 116.009 119.157 -3.148 17897 1367 1 6 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.045 -0.288 17897 1368 1 6 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.359 1.381 17897 1369 1 6 . 1 1 44 44 GLN H H 44 8.964 8.964 8.466 0.498 17897 1370 1 6 . 1 1 45 45 LEU N N 45 119.443 119.443 119.421 0.022 17897 1371 1 6 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.083 -0.438 17897 1372 1 6 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.508 -2.808 17897 1373 1 6 . 1 1 45 45 LEU H H 45 8.167 8.167 7.814 0.353 17897 1374 1 6 . 1 1 46 46 ALA N N 46 120.477 120.477 123.532 -3.055 17897 1375 1 6 . 1 1 46 46 ALA HA H 46 4.029 4.029 3.999 0.030 17897 1376 1 6 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.469 1.016 17897 1377 1 6 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.240 2.413 17897 1378 1 6 . 1 1 46 46 ALA H H 46 8.559 8.559 8.752 -0.193 17897 1379 1 6 . 1 1 47 47 LEU N N 47 116.564 116.564 117.698 -1.134 17897 1380 1 6 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.989 0.193 17897 1381 1 6 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.971 0.430 17897 1382 1 6 . 1 1 47 47 LEU H H 47 8.787 8.787 8.898 -0.111 17897 1383 1 6 . 1 1 48 48 LYS N N 48 121.007 121.007 118.672 2.335 17897 1384 1 6 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.134 -0.414 17897 1385 1 6 . 1 1 48 48 LYS CA C 48 60.739 60.739 58.910 1.829 17897 1386 1 6 . 1 1 48 48 LYS H H 48 8.106 8.106 7.846 0.260 17897 1387 1 6 . 1 1 49 49 ILE N N 49 120.417 120.417 115.102 5.315 17897 1388 1 6 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.269 -0.595 17897 1389 1 6 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.326 4.318 17897 1390 1 6 . 1 1 49 49 ILE H H 49 8.831 8.831 8.699 0.132 17897 1391 1 6 . 1 1 50 50 ALA N N 50 120.372 120.372 124.925 -4.553 17897 1392 1 6 . 1 1 50 50 ALA HA H 50 4.096 4.096 4.119 -0.023 17897 1393 1 6 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.201 1.011 17897 1394 1 6 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.786 1.044 17897 1395 1 6 . 1 1 50 50 ALA H H 50 8.235 8.235 8.752 -0.517 17897 1396 1 6 . 1 1 51 51 TYR N N 51 116.980 116.980 117.902 -0.922 17897 1397 1 6 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.064 0.291 17897 1398 1 6 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.710 0.622 17897 1399 1 6 . 1 1 51 51 TYR H H 51 8.209 8.209 8.019 0.190 17897 1400 1 6 . 1 1 52 52 TYR N N 52 118.569 118.569 117.048 1.521 17897 1401 1 6 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.142 0.181 17897 1402 1 6 . 1 1 52 52 TYR CA C 52 63.976 63.976 61.356 2.620 17897 1403 1 6 . 1 1 52 52 TYR H H 52 9.129 9.129 7.756 1.373 17897 1404 1 6 . 1 1 53 53 LEU N N 53 115.377 115.377 119.235 -3.858 17897 1405 1 6 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.449 0.138 17897 1406 1 6 . 1 1 53 53 LEU CA C 53 54.973 54.973 53.844 1.129 17897 1407 1 6 . 1 1 53 53 LEU H H 53 8.475 8.475 9.236 -0.761 17897 1408 1 6 . 1 1 54 54 ASN N N 54 122.061 122.061 122.537 -0.476 17897 1409 1 6 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.634 -0.112 17897 1410 1 6 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.224 0.344 17897 1411 1 6 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.157 1.328 17897 1412 1 6 . 1 1 54 54 ASN H H 54 8.121 8.121 7.891 0.230 17897 1413 1 6 . 1 1 55 55 THR N N 55 114.942 114.942 120.909 -5.967 17897 1414 1 6 . 1 1 55 55 THR HA H 55 5.060 5.060 4.555 0.505 17897 1415 1 6 . 1 1 55 55 THR CA C 55 61.017 61.017 59.549 1.468 17897 1416 1 6 . 1 1 55 55 THR CB C 55 75.522 75.522 70.717 4.805 17897 1417 1 6 . 1 1 55 55 THR H H 55 8.315 8.315 7.694 0.621 17897 1418 1 6 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.483 0.125 17897 1419 1 6 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.744 0.614 17897 1420 1 6 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.095 0.114 17897 1421 1 6 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.424 2.198 17897 1422 1 6 . 1 1 58 58 GLU N N 58 123.065 123.065 119.783 3.282 17897 1423 1 6 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.062 0.850 17897 1424 1 6 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.247 0.278 17897 1425 1 6 . 1 1 58 58 GLU H H 58 9.418 9.418 8.630 0.788 17897 1426 1 6 . 1 1 59 59 ASP N N 59 117.640 117.640 118.233 -0.593 17897 1427 1 6 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.435 0.143 17897 1428 1 6 . 1 1 59 59 ASP CA C 59 56.980 56.980 55.948 1.032 17897 1429 1 6 . 1 1 59 59 ASP H H 59 8.073 8.073 8.091 -0.018 17897 1430 1 6 . 1 1 60 60 ILE N N 60 119.506 119.506 118.516 0.990 17897 1431 1 6 . 1 1 60 60 ILE H H 60 8.276 8.276 7.296 0.980 17897 1432 1 6 . 1 1 61 61 PHE N N 61 115.913 115.913 120.380 -4.467 17897 1433 1 6 . 1 1 61 61 PHE H H 61 8.567 8.567 8.623 -0.056 17897 1434 1 6 . 1 1 63 63 TRP N N 63 125.522 125.522 123.230 2.292 17897 1435 1 6 . 1 1 63 63 TRP H H 63 9.524 9.524 8.420 1.104 17897 1436 1 6 . 1 1 64 64 GLN N N 64 127.251 127.251 123.642 3.609 17897 1437 1 6 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.223 3.350 17897 1438 1 6 . 1 1 64 64 GLN H H 64 8.048 8.048 8.486 -0.438 17897 1439 1 6 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.454 0.143 17897 1440 1 6 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.056 -1.027 17897 1441 1 7 . 1 1 2 2 ILE N N 2 122.866 122.866 122.234 0.632 17897 1442 1 7 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.685 1.138 17897 1443 1 7 . 1 1 2 2 ILE H H 2 9.234 9.234 7.929 1.305 17897 1444 1 7 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.353 0.127 17897 1445 1 7 . 1 1 3 3 ILE CA C 3 60.663 60.663 59.654 1.009 17897 1446 1 7 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.703 0.852 17897 1447 1 7 . 1 1 4 4 ASN N N 4 124.006 124.006 127.405 -3.399 17897 1448 1 7 . 1 1 4 4 ASN H H 4 9.158 9.158 8.948 0.210 17897 1449 1 7 . 1 1 6 6 LEU N N 6 120.561 120.561 121.022 -0.461 17897 1450 1 7 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.069 -0.290 17897 1451 1 7 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.009 2.590 17897 1452 1 7 . 1 1 6 6 LEU H H 6 8.637 8.637 7.784 0.853 17897 1453 1 7 . 1 1 7 7 LYS N N 7 118.177 118.177 118.278 -0.101 17897 1454 1 7 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.022 -0.051 17897 1455 1 7 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.170 2.150 17897 1456 1 7 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.765 0.669 17897 1457 1 7 . 1 1 7 7 LYS H H 7 9.010 9.010 7.623 1.387 17897 1458 1 7 . 1 1 8 8 LEU N N 8 116.280 116.280 120.687 -4.407 17897 1459 1 7 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.091 0.071 17897 1460 1 7 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.298 0.992 17897 1461 1 7 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.881 0.878 17897 1462 1 7 . 1 1 8 8 LEU H H 8 7.762 7.762 7.288 0.474 17897 1463 1 7 . 1 1 9 9 ILE N N 9 119.178 119.178 117.377 1.801 17897 1464 1 7 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.758 0.106 17897 1465 1 7 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.024 0.877 17897 1466 1 7 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.246 1.438 17897 1467 1 7 . 1 1 9 9 ILE H H 9 8.277 8.277 7.895 0.382 17897 1468 1 7 . 1 1 10 10 ARG N N 10 120.083 120.083 119.090 0.993 17897 1469 1 7 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.920 -0.042 17897 1470 1 7 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.152 1.674 17897 1471 1 7 . 1 1 10 10 ARG H H 10 9.313 9.313 7.601 1.712 17897 1472 1 7 . 1 1 11 11 GLU N N 11 115.851 115.851 119.200 -3.349 17897 1473 1 7 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.129 0.110 17897 1474 1 7 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.843 1.443 17897 1475 1 7 . 1 1 11 11 GLU H H 11 8.760 8.760 7.836 0.924 17897 1476 1 7 . 1 1 12 12 LYS N N 12 122.969 122.969 119.573 3.396 17897 1477 1 7 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.139 0.122 17897 1478 1 7 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.544 1.673 17897 1479 1 7 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.775 0.123 17897 1480 1 7 . 1 1 12 12 LYS H H 12 8.300 8.300 7.792 0.508 17897 1481 1 7 . 1 1 13 13 LYS N N 13 116.249 116.249 118.257 -2.008 17897 1482 1 7 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.273 0.040 17897 1483 1 7 . 1 1 13 13 LYS CA C 13 55.846 55.846 56.609 -0.763 17897 1484 1 7 . 1 1 13 13 LYS CB C 13 31.753 31.753 33.011 -1.258 17897 1485 1 7 . 1 1 13 13 LYS H H 13 7.807 7.807 7.978 -0.171 17897 1486 1 7 . 1 1 14 14 LYS N N 14 115.342 115.342 116.670 -1.328 17897 1487 1 7 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.001 0.082 17897 1488 1 7 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.796 0.258 17897 1489 1 7 . 1 1 14 14 LYS H H 14 8.128 8.128 8.068 0.060 17897 1490 1 7 . 1 1 15 15 ILE N N 15 118.385 118.385 113.708 4.677 17897 1491 1 7 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.580 0.026 17897 1492 1 7 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.507 0.296 17897 1493 1 7 . 1 1 15 15 ILE H H 15 7.601 7.601 7.672 -0.071 17897 1494 1 7 . 1 1 16 16 SER N N 16 125.109 125.109 121.279 3.830 17897 1495 1 7 . 1 1 16 16 SER HA H 16 4.582 4.582 4.491 0.091 17897 1496 1 7 . 1 1 16 16 SER CA C 16 57.628 57.628 57.400 0.228 17897 1497 1 7 . 1 1 16 16 SER H H 16 9.528 9.528 8.884 0.644 17897 1498 1 7 . 1 1 17 17 GLN N N 17 120.159 120.159 124.774 -4.615 17897 1499 1 7 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.026 -0.143 17897 1500 1 7 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.397 3.214 17897 1501 1 7 . 1 1 17 17 GLN H H 17 9.587 9.587 9.014 0.573 17897 1502 1 7 . 1 1 18 18 SER N N 18 113.031 113.031 115.276 -2.245 17897 1503 1 7 . 1 1 18 18 SER H H 18 9.072 9.072 7.905 1.167 17897 1504 1 7 . 1 1 19 19 GLU N N 19 124.022 124.022 121.987 2.035 17897 1505 1 7 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.020 0.197 17897 1506 1 7 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.528 1.169 17897 1507 1 7 . 1 1 19 19 GLU H H 19 8.409 8.409 7.681 0.728 17897 1508 1 7 . 1 1 20 20 LEU N N 20 119.979 119.979 120.437 -0.458 17897 1509 1 7 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.895 0.221 17897 1510 1 7 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.891 0.504 17897 1511 1 7 . 1 1 20 20 LEU H H 20 8.381 8.381 7.583 0.798 17897 1512 1 7 . 1 1 21 21 ALA N N 21 119.822 119.822 121.234 -1.412 17897 1513 1 7 . 1 1 21 21 ALA HA H 21 3.615 3.615 3.984 -0.369 17897 1514 1 7 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.918 -0.175 17897 1515 1 7 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.108 -0.434 17897 1516 1 7 . 1 1 21 21 ALA H H 21 8.670 8.670 8.400 0.270 17897 1517 1 7 . 1 1 22 22 ALA N N 22 117.186 117.186 120.042 -2.856 17897 1518 1 7 . 1 1 22 22 ALA HA H 22 4.306 4.306 3.992 0.314 17897 1519 1 7 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.465 1.067 17897 1520 1 7 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.447 0.022 17897 1521 1 7 . 1 1 22 22 ALA H H 22 7.869 7.869 8.289 -0.420 17897 1522 1 7 . 1 1 23 23 LEU N N 23 118.476 118.476 117.400 1.076 17897 1523 1 7 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.952 0.137 17897 1524 1 7 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.993 1.134 17897 1525 1 7 . 1 1 23 23 LEU H H 23 7.581 7.581 7.189 0.392 17897 1526 1 7 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.077 0.235 17897 1527 1 7 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.751 -0.051 17897 1528 1 7 . 1 1 25 25 GLU N N 25 114.844 114.844 114.320 0.524 17897 1529 1 7 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.912 0.172 17897 1530 1 7 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.621 0.612 17897 1531 1 7 . 1 1 25 25 GLU H H 25 8.076 8.076 7.790 0.286 17897 1532 1 7 . 1 1 26 26 VAL N N 26 109.651 109.651 112.692 -3.041 17897 1533 1 7 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.578 0.315 17897 1534 1 7 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.400 -0.280 17897 1535 1 7 . 1 1 26 26 VAL H H 26 8.037 8.037 7.515 0.522 17897 1536 1 7 . 1 1 27 27 SER N N 27 114.367 114.367 115.850 -1.483 17897 1537 1 7 . 1 1 27 27 SER CB C 27 63.110 63.110 63.034 0.076 17897 1538 1 7 . 1 1 27 27 SER H H 27 8.694 8.694 8.658 0.036 17897 1539 1 7 . 1 1 28 28 ARG N N 28 115.247 115.247 122.929 -7.682 17897 1540 1 7 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.969 -0.190 17897 1541 1 7 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.912 1.771 17897 1542 1 7 . 1 1 28 28 ARG CB C 28 29.889 29.889 28.963 0.926 17897 1543 1 7 . 1 1 28 28 ARG H H 28 8.301 8.301 8.212 0.089 17897 1544 1 7 . 1 1 29 29 GLN N N 29 117.269 117.269 117.767 -0.498 17897 1545 1 7 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.109 0.128 17897 1546 1 7 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.199 0.814 17897 1547 1 7 . 1 1 29 29 GLN CB C 29 28.398 28.398 27.497 0.901 17897 1548 1 7 . 1 1 29 29 GLN H H 29 8.882 8.882 7.891 0.991 17897 1549 1 7 . 1 1 30 30 THR N N 30 119.977 119.977 113.849 6.128 17897 1550 1 7 . 1 1 30 30 THR HA H 30 4.601 4.601 4.135 0.466 17897 1551 1 7 . 1 1 30 30 THR CA C 30 68.731 68.731 65.054 3.677 17897 1552 1 7 . 1 1 30 30 THR CB C 30 67.567 67.567 68.687 -1.120 17897 1553 1 7 . 1 1 30 30 THR H H 30 8.203 8.203 7.348 0.855 17897 1554 1 7 . 1 1 31 31 ILE N N 31 118.714 118.714 119.707 -0.993 17897 1555 1 7 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.987 -0.202 17897 1556 1 7 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.563 -1.408 17897 1557 1 7 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.337 -1.511 17897 1558 1 7 . 1 1 31 31 ILE H H 31 7.197 7.197 8.557 -1.360 17897 1559 1 7 . 1 1 32 32 ASN N N 32 118.007 118.007 120.517 -2.510 17897 1560 1 7 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.468 -0.122 17897 1561 1 7 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.594 1.464 17897 1562 1 7 . 1 1 32 32 ASN CB C 32 40.054 40.054 37.805 2.249 17897 1563 1 7 . 1 1 32 32 ASN H H 32 8.730 8.730 8.626 0.104 17897 1564 1 7 . 1 1 33 33 GLY N N 33 124.914 124.914 107.716 17.198 17897 1565 1 7 . 1 1 33 33 GLY H H 33 8.713 8.713 7.911 0.802 17897 1566 1 7 . 1 1 34 34 ILE N N 34 122.110 122.110 117.844 4.266 17897 1567 1 7 . 1 1 34 34 ILE HA H 34 4.351 4.351 4.085 0.266 17897 1568 1 7 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.974 1.469 17897 1569 1 7 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.955 1.231 17897 1570 1 7 . 1 1 34 34 ILE H H 34 8.246 8.246 7.470 0.776 17897 1571 1 7 . 1 1 35 35 GLU N N 35 120.672 120.672 121.585 -0.913 17897 1572 1 7 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.145 0.182 17897 1573 1 7 . 1 1 35 35 GLU CA C 35 60.689 60.689 60.204 0.485 17897 1574 1 7 . 1 1 35 35 GLU H H 35 8.684 8.684 9.217 -0.533 17897 1575 1 7 . 1 1 36 36 LYS N N 36 115.941 115.941 118.530 -2.589 17897 1576 1 7 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.217 0.395 17897 1577 1 7 . 1 1 36 36 LYS CA C 36 56.301 56.301 59.051 -2.750 17897 1578 1 7 . 1 1 36 36 LYS H H 36 8.152 8.152 7.875 0.277 17897 1579 1 7 . 1 1 37 37 ASN N N 37 114.474 114.474 117.234 -2.760 17897 1580 1 7 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.578 0.320 17897 1581 1 7 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.430 0.630 17897 1582 1 7 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.868 -1.092 17897 1583 1 7 . 1 1 37 37 ASN H H 37 8.263 8.263 7.814 0.449 17897 1584 1 7 . 1 1 38 38 LYS N N 38 115.022 115.022 117.363 -2.341 17897 1585 1 7 . 1 1 38 38 LYS HA H 38 4.480 4.480 3.984 0.496 17897 1586 1 7 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.802 -0.958 17897 1587 1 7 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.835 1.196 17897 1588 1 7 . 1 1 38 38 LYS H H 38 8.789 8.789 8.270 0.519 17897 1589 1 7 . 1 1 39 39 TYR N N 39 116.894 116.894 117.492 -0.598 17897 1590 1 7 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.731 -0.036 17897 1591 1 7 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.530 -0.207 17897 1592 1 7 . 1 1 39 39 TYR H H 39 7.120 7.120 8.296 -1.176 17897 1593 1 7 . 1 1 40 40 ASN N N 40 123.571 123.571 118.381 5.190 17897 1594 1 7 . 1 1 40 40 ASN H H 40 8.925 8.925 8.580 0.345 17897 1595 1 7 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.421 -0.566 17897 1596 1 7 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.516 0.056 17897 1597 1 7 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.963 0.498 17897 1598 1 7 . 1 1 42 42 SER N N 42 125.757 125.757 119.756 6.001 17897 1599 1 7 . 1 1 42 42 SER HA H 42 4.596 4.596 4.568 0.028 17897 1600 1 7 . 1 1 42 42 SER CA C 42 58.235 58.235 58.037 0.198 17897 1601 1 7 . 1 1 42 42 SER H H 42 8.113 8.113 8.535 -0.422 17897 1602 1 7 . 1 1 43 43 LEU N N 43 120.595 120.595 128.398 -7.803 17897 1603 1 7 . 1 1 43 43 LEU HA H 43 4.027 4.027 4.047 -0.020 17897 1604 1 7 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.511 0.570 17897 1605 1 7 . 1 1 43 43 LEU H H 43 9.354 9.354 8.907 0.447 17897 1606 1 7 . 1 1 44 44 GLN N N 44 116.009 116.009 117.899 -1.890 17897 1607 1 7 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.058 -0.301 17897 1608 1 7 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.862 1.878 17897 1609 1 7 . 1 1 44 44 GLN H H 44 8.964 8.964 8.442 0.522 17897 1610 1 7 . 1 1 45 45 LEU N N 45 119.443 119.443 120.224 -0.781 17897 1611 1 7 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.093 -0.448 17897 1612 1 7 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.108 -2.409 17897 1613 1 7 . 1 1 45 45 LEU H H 45 8.167 8.167 7.824 0.343 17897 1614 1 7 . 1 1 46 46 ALA N N 46 120.477 120.477 122.277 -1.800 17897 1615 1 7 . 1 1 46 46 ALA HA H 46 4.029 4.029 3.949 0.080 17897 1616 1 7 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.095 1.390 17897 1617 1 7 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.060 2.593 17897 1618 1 7 . 1 1 46 46 ALA H H 46 8.559 8.559 8.644 -0.085 17897 1619 1 7 . 1 1 47 47 LEU N N 47 116.564 116.564 117.173 -0.609 17897 1620 1 7 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.861 0.321 17897 1621 1 7 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.713 0.688 17897 1622 1 7 . 1 1 47 47 LEU H H 47 8.787 8.787 8.228 0.559 17897 1623 1 7 . 1 1 48 48 LYS N N 48 121.007 121.007 118.345 2.662 17897 1624 1 7 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.084 -0.364 17897 1625 1 7 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.236 1.503 17897 1626 1 7 . 1 1 48 48 LYS H H 48 8.106 8.106 7.687 0.419 17897 1627 1 7 . 1 1 49 49 ILE N N 49 120.417 120.417 115.208 5.209 17897 1628 1 7 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.233 -0.559 17897 1629 1 7 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.336 4.308 17897 1630 1 7 . 1 1 49 49 ILE H H 49 8.831 8.831 7.845 0.986 17897 1631 1 7 . 1 1 50 50 ALA N N 50 120.372 120.372 123.028 -2.656 17897 1632 1 7 . 1 1 50 50 ALA HA H 50 4.096 4.096 4.010 0.086 17897 1633 1 7 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.670 1.542 17897 1634 1 7 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.649 1.181 17897 1635 1 7 . 1 1 50 50 ALA H H 50 8.235 8.235 8.607 -0.372 17897 1636 1 7 . 1 1 51 51 TYR N N 51 116.980 116.980 118.875 -1.895 17897 1637 1 7 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.147 0.208 17897 1638 1 7 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.576 0.756 17897 1639 1 7 . 1 1 51 51 TYR H H 51 8.209 8.209 7.519 0.690 17897 1640 1 7 . 1 1 52 52 TYR N N 52 118.569 118.569 116.502 2.067 17897 1641 1 7 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.217 0.106 17897 1642 1 7 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.803 3.173 17897 1643 1 7 . 1 1 52 52 TYR H H 52 9.129 9.129 8.255 0.874 17897 1644 1 7 . 1 1 53 53 LEU N N 53 115.377 115.377 120.726 -5.349 17897 1645 1 7 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.221 0.366 17897 1646 1 7 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.638 0.335 17897 1647 1 7 . 1 1 53 53 LEU H H 53 8.475 8.475 8.016 0.459 17897 1648 1 7 . 1 1 54 54 ASN N N 54 122.061 122.061 124.106 -2.045 17897 1649 1 7 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.575 -0.053 17897 1650 1 7 . 1 1 54 54 ASN CA C 54 54.568 54.568 53.455 1.113 17897 1651 1 7 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.748 0.737 17897 1652 1 7 . 1 1 54 54 ASN H H 54 8.121 8.121 8.759 -0.638 17897 1653 1 7 . 1 1 55 55 THR N N 55 114.942 114.942 118.641 -3.699 17897 1654 1 7 . 1 1 55 55 THR HA H 55 5.060 5.060 4.591 0.469 17897 1655 1 7 . 1 1 55 55 THR CA C 55 61.017 61.017 59.959 1.058 17897 1656 1 7 . 1 1 55 55 THR CB C 55 75.522 75.522 70.675 4.847 17897 1657 1 7 . 1 1 55 55 THR H H 55 8.315 8.315 8.336 -0.021 17897 1658 1 7 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.502 0.106 17897 1659 1 7 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.982 0.376 17897 1660 1 7 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.995 0.214 17897 1661 1 7 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.104 2.518 17897 1662 1 7 . 1 1 58 58 GLU N N 58 123.065 123.065 119.445 3.620 17897 1663 1 7 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.049 0.863 17897 1664 1 7 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.597 -0.072 17897 1665 1 7 . 1 1 58 58 GLU H H 58 9.418 9.418 8.640 0.778 17897 1666 1 7 . 1 1 59 59 ASP N N 59 117.640 117.640 120.356 -2.716 17897 1667 1 7 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.457 0.121 17897 1668 1 7 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.836 0.144 17897 1669 1 7 . 1 1 59 59 ASP H H 59 8.073 8.073 8.389 -0.316 17897 1670 1 7 . 1 1 60 60 ILE N N 60 119.506 119.506 113.709 5.797 17897 1671 1 7 . 1 1 60 60 ILE H H 60 8.276 8.276 7.226 1.050 17897 1672 1 7 . 1 1 61 61 PHE N N 61 115.913 115.913 121.802 -5.889 17897 1673 1 7 . 1 1 61 61 PHE H H 61 8.567 8.567 8.001 0.566 17897 1674 1 7 . 1 1 63 63 TRP N N 63 125.522 125.522 120.900 4.622 17897 1675 1 7 . 1 1 63 63 TRP H H 63 9.524 9.524 8.389 1.135 17897 1676 1 7 . 1 1 64 64 GLN N N 64 127.251 127.251 120.779 6.472 17897 1677 1 7 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.635 3.938 17897 1678 1 7 . 1 1 64 64 GLN H H 64 8.048 8.048 8.706 -0.658 17897 1679 1 7 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.469 0.128 17897 1680 1 7 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.214 -1.185 17897 1681 1 8 . 1 1 2 2 ILE N N 2 122.866 122.866 123.281 -0.415 17897 1682 1 8 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.683 1.140 17897 1683 1 8 . 1 1 2 2 ILE H H 2 9.234 9.234 8.146 1.088 17897 1684 1 8 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.119 0.361 17897 1685 1 8 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.773 -0.110 17897 1686 1 8 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.584 0.971 17897 1687 1 8 . 1 1 4 4 ASN N N 4 124.006 124.006 118.272 5.734 17897 1688 1 8 . 1 1 4 4 ASN H H 4 9.158 9.158 8.813 0.345 17897 1689 1 8 . 1 1 6 6 LEU N N 6 120.561 120.561 120.984 -0.423 17897 1690 1 8 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.087 -0.308 17897 1691 1 8 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.193 2.406 17897 1692 1 8 . 1 1 6 6 LEU H H 6 8.637 8.637 8.892 -0.255 17897 1693 1 8 . 1 1 7 7 LYS N N 7 118.177 118.177 119.572 -1.395 17897 1694 1 8 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.919 0.052 17897 1695 1 8 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.195 2.125 17897 1696 1 8 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.664 0.770 17897 1697 1 8 . 1 1 7 7 LYS H H 7 9.010 9.010 7.452 1.558 17897 1698 1 8 . 1 1 8 8 LEU N N 8 116.280 116.280 120.455 -4.175 17897 1699 1 8 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.055 0.107 17897 1700 1 8 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.571 0.719 17897 1701 1 8 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.466 1.293 17897 1702 1 8 . 1 1 8 8 LEU H H 8 7.762 7.762 8.184 -0.422 17897 1703 1 8 . 1 1 9 9 ILE N N 9 119.178 119.178 119.607 -0.429 17897 1704 1 8 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.710 0.154 17897 1705 1 8 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.921 -0.020 17897 1706 1 8 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.608 1.077 17897 1707 1 8 . 1 1 9 9 ILE H H 9 8.277 8.277 7.090 1.187 17897 1708 1 8 . 1 1 10 10 ARG N N 10 120.083 120.083 119.831 0.252 17897 1709 1 8 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.836 0.042 17897 1710 1 8 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.558 1.268 17897 1711 1 8 . 1 1 10 10 ARG H H 10 9.313 9.313 8.608 0.705 17897 1712 1 8 . 1 1 11 11 GLU N N 11 115.851 115.851 118.433 -2.582 17897 1713 1 8 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.037 0.202 17897 1714 1 8 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.070 1.216 17897 1715 1 8 . 1 1 11 11 GLU H H 11 8.760 8.760 7.835 0.925 17897 1716 1 8 . 1 1 12 12 LYS N N 12 122.969 122.969 119.800 3.169 17897 1717 1 8 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.120 0.141 17897 1718 1 8 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.583 1.634 17897 1719 1 8 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.532 0.366 17897 1720 1 8 . 1 1 12 12 LYS H H 12 8.300 8.300 7.341 0.959 17897 1721 1 8 . 1 1 13 13 LYS N N 13 116.249 116.249 118.349 -2.100 17897 1722 1 8 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.259 0.054 17897 1723 1 8 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.908 -0.062 17897 1724 1 8 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.373 -0.620 17897 1725 1 8 . 1 1 13 13 LYS H H 13 7.807 7.807 8.294 -0.487 17897 1726 1 8 . 1 1 14 14 LYS N N 14 115.342 115.342 115.164 0.178 17897 1727 1 8 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.018 0.065 17897 1728 1 8 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.764 0.291 17897 1729 1 8 . 1 1 14 14 LYS H H 14 8.128 8.128 7.863 0.265 17897 1730 1 8 . 1 1 15 15 ILE N N 15 118.385 118.385 112.919 5.466 17897 1731 1 8 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.359 0.247 17897 1732 1 8 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.270 0.533 17897 1733 1 8 . 1 1 15 15 ILE H H 15 7.601 7.601 8.232 -0.631 17897 1734 1 8 . 1 1 16 16 SER N N 16 125.109 125.109 120.338 4.771 17897 1735 1 8 . 1 1 16 16 SER HA H 16 4.582 4.582 4.578 0.004 17897 1736 1 8 . 1 1 16 16 SER CA C 16 57.628 57.628 56.694 0.934 17897 1737 1 8 . 1 1 16 16 SER H H 16 9.528 9.528 7.784 1.744 17897 1738 1 8 . 1 1 17 17 GLN N N 17 120.159 120.159 121.844 -1.685 17897 1739 1 8 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.987 -0.104 17897 1740 1 8 . 1 1 17 17 GLN CA C 17 62.611 62.611 60.156 2.455 17897 1741 1 8 . 1 1 17 17 GLN H H 17 9.587 9.587 9.024 0.563 17897 1742 1 8 . 1 1 18 18 SER N N 18 113.031 113.031 115.058 -2.027 17897 1743 1 8 . 1 1 18 18 SER H H 18 9.072 9.072 8.429 0.643 17897 1744 1 8 . 1 1 19 19 GLU N N 19 124.022 124.022 122.006 2.016 17897 1745 1 8 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.056 0.161 17897 1746 1 8 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.323 1.374 17897 1747 1 8 . 1 1 19 19 GLU H H 19 8.409 8.409 7.748 0.661 17897 1748 1 8 . 1 1 20 20 LEU N N 20 119.979 119.979 121.076 -1.097 17897 1749 1 8 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.931 0.185 17897 1750 1 8 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.234 0.161 17897 1751 1 8 . 1 1 20 20 LEU H H 20 8.381 8.381 7.754 0.627 17897 1752 1 8 . 1 1 21 21 ALA N N 21 119.822 119.822 120.764 -0.942 17897 1753 1 8 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.021 -0.406 17897 1754 1 8 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.943 -0.200 17897 1755 1 8 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.022 -0.348 17897 1756 1 8 . 1 1 21 21 ALA H H 21 8.670 8.670 8.249 0.421 17897 1757 1 8 . 1 1 22 22 ALA N N 22 117.186 117.186 121.642 -4.456 17897 1758 1 8 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.026 0.280 17897 1759 1 8 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.407 1.125 17897 1760 1 8 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.477 -0.008 17897 1761 1 8 . 1 1 22 22 ALA H H 22 7.869 7.869 7.818 0.051 17897 1762 1 8 . 1 1 23 23 LEU N N 23 118.476 118.476 118.498 -0.022 17897 1763 1 8 . 1 1 23 23 LEU HA H 23 4.089 4.089 4.014 0.075 17897 1764 1 8 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.516 0.611 17897 1765 1 8 . 1 1 23 23 LEU H H 23 7.581 7.581 8.115 -0.534 17897 1766 1 8 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.178 0.134 17897 1767 1 8 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.570 0.130 17897 1768 1 8 . 1 1 25 25 GLU N N 25 114.844 114.844 115.339 -0.495 17897 1769 1 8 . 1 1 25 25 GLU HA H 25 4.084 4.084 4.031 0.053 17897 1770 1 8 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.907 0.326 17897 1771 1 8 . 1 1 25 25 GLU H H 25 8.076 8.076 7.953 0.123 17897 1772 1 8 . 1 1 26 26 VAL N N 26 109.651 109.651 112.804 -3.153 17897 1773 1 8 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.489 0.404 17897 1774 1 8 . 1 1 26 26 VAL CA C 26 59.120 59.120 58.917 0.203 17897 1775 1 8 . 1 1 26 26 VAL H H 26 8.037 8.037 7.300 0.737 17897 1776 1 8 . 1 1 27 27 SER N N 27 114.367 114.367 117.395 -3.028 17897 1777 1 8 . 1 1 27 27 SER CB C 27 63.110 63.110 62.954 0.156 17897 1778 1 8 . 1 1 27 27 SER H H 27 8.694 8.694 8.780 -0.086 17897 1779 1 8 . 1 1 28 28 ARG N N 28 115.247 115.247 122.352 -7.105 17897 1780 1 8 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.987 -0.208 17897 1781 1 8 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.619 2.064 17897 1782 1 8 . 1 1 28 28 ARG CB C 28 29.889 29.889 28.854 1.035 17897 1783 1 8 . 1 1 28 28 ARG H H 28 8.301 8.301 8.456 -0.155 17897 1784 1 8 . 1 1 29 29 GLN N N 29 117.269 117.269 118.101 -0.832 17897 1785 1 8 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.006 0.231 17897 1786 1 8 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.108 0.905 17897 1787 1 8 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.054 0.344 17897 1788 1 8 . 1 1 29 29 GLN H H 29 8.882 8.882 8.491 0.391 17897 1789 1 8 . 1 1 30 30 THR N N 30 119.977 119.977 113.714 6.263 17897 1790 1 8 . 1 1 30 30 THR HA H 30 4.601 4.601 4.065 0.536 17897 1791 1 8 . 1 1 30 30 THR CA C 30 68.731 68.731 65.612 3.119 17897 1792 1 8 . 1 1 30 30 THR CB C 30 67.567 67.567 68.277 -0.710 17897 1793 1 8 . 1 1 30 30 THR H H 30 8.203 8.203 8.376 -0.173 17897 1794 1 8 . 1 1 31 31 ILE N N 31 118.714 118.714 122.345 -3.631 17897 1795 1 8 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.606 0.179 17897 1796 1 8 . 1 1 31 31 ILE CA C 31 62.155 62.155 64.913 -2.758 17897 1797 1 8 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.673 -1.847 17897 1798 1 8 . 1 1 31 31 ILE H H 31 7.197 7.197 7.310 -0.113 17897 1799 1 8 . 1 1 32 32 ASN N N 32 118.007 118.007 118.866 -0.859 17897 1800 1 8 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.621 -0.275 17897 1801 1 8 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.519 1.539 17897 1802 1 8 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.069 1.985 17897 1803 1 8 . 1 1 32 32 ASN H H 32 8.730 8.730 9.073 -0.343 17897 1804 1 8 . 1 1 33 33 GLY N N 33 124.914 124.914 107.477 17.437 17897 1805 1 8 . 1 1 33 33 GLY H H 33 8.713 8.713 7.737 0.976 17897 1806 1 8 . 1 1 34 34 ILE N N 34 122.110 122.110 118.098 4.012 17897 1807 1 8 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.976 0.375 17897 1808 1 8 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.474 1.970 17897 1809 1 8 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.708 1.478 17897 1810 1 8 . 1 1 34 34 ILE H H 34 8.246 8.246 7.296 0.950 17897 1811 1 8 . 1 1 35 35 GLU N N 35 120.672 120.672 122.346 -1.674 17897 1812 1 8 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.067 0.260 17897 1813 1 8 . 1 1 35 35 GLU CA C 35 60.689 60.689 60.483 0.206 17897 1814 1 8 . 1 1 35 35 GLU H H 35 8.684 8.684 9.178 -0.494 17897 1815 1 8 . 1 1 36 36 LYS N N 36 115.941 115.941 116.170 -0.229 17897 1816 1 8 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.365 0.247 17897 1817 1 8 . 1 1 36 36 LYS CA C 36 56.301 56.301 57.505 -1.204 17897 1818 1 8 . 1 1 36 36 LYS H H 36 8.152 8.152 7.552 0.600 17897 1819 1 8 . 1 1 37 37 ASN N N 37 114.474 114.474 117.073 -2.599 17897 1820 1 8 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.493 0.405 17897 1821 1 8 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.422 0.638 17897 1822 1 8 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.930 -1.154 17897 1823 1 8 . 1 1 37 37 ASN H H 37 8.263 8.263 7.572 0.691 17897 1824 1 8 . 1 1 38 38 LYS N N 38 115.022 115.022 117.548 -2.526 17897 1825 1 8 . 1 1 38 38 LYS HA H 38 4.480 4.480 3.869 0.611 17897 1826 1 8 . 1 1 38 38 LYS CA C 38 56.844 56.844 58.480 -1.636 17897 1827 1 8 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.973 1.058 17897 1828 1 8 . 1 1 38 38 LYS H H 38 8.789 8.789 8.003 0.786 17897 1829 1 8 . 1 1 39 39 TYR N N 39 116.894 116.894 114.142 2.752 17897 1830 1 8 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.643 0.052 17897 1831 1 8 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.166 0.157 17897 1832 1 8 . 1 1 39 39 TYR H H 39 7.120 7.120 7.660 -0.540 17897 1833 1 8 . 1 1 40 40 ASN N N 40 123.571 123.571 118.082 5.489 17897 1834 1 8 . 1 1 40 40 ASN H H 40 8.925 8.925 8.580 0.345 17897 1835 1 8 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.499 -0.644 17897 1836 1 8 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.684 -0.112 17897 1837 1 8 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.913 0.548 17897 1838 1 8 . 1 1 42 42 SER N N 42 125.757 125.757 119.277 6.480 17897 1839 1 8 . 1 1 42 42 SER HA H 42 4.596 4.596 4.354 0.242 17897 1840 1 8 . 1 1 42 42 SER CA C 42 58.235 58.235 59.047 -0.812 17897 1841 1 8 . 1 1 42 42 SER H H 42 8.113 8.113 9.417 -1.304 17897 1842 1 8 . 1 1 43 43 LEU N N 43 120.595 120.595 127.692 -7.097 17897 1843 1 8 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.882 0.145 17897 1844 1 8 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.220 -0.139 17897 1845 1 8 . 1 1 43 43 LEU H H 43 9.354 9.354 8.813 0.541 17897 1846 1 8 . 1 1 44 44 GLN N N 44 116.009 116.009 118.484 -2.475 17897 1847 1 8 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.010 -0.253 17897 1848 1 8 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.361 1.379 17897 1849 1 8 . 1 1 44 44 GLN H H 44 8.964 8.964 8.503 0.461 17897 1850 1 8 . 1 1 45 45 LEU N N 45 119.443 119.443 119.960 -0.517 17897 1851 1 8 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.091 -0.446 17897 1852 1 8 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.678 -2.979 17897 1853 1 8 . 1 1 45 45 LEU H H 45 8.167 8.167 7.754 0.413 17897 1854 1 8 . 1 1 46 46 ALA N N 46 120.477 120.477 123.112 -2.635 17897 1855 1 8 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.010 0.019 17897 1856 1 8 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.280 1.205 17897 1857 1 8 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.285 2.368 17897 1858 1 8 . 1 1 46 46 ALA H H 46 8.559 8.559 8.777 -0.218 17897 1859 1 8 . 1 1 47 47 LEU N N 47 116.564 116.564 117.771 -1.207 17897 1860 1 8 . 1 1 47 47 LEU HA H 47 4.182 4.182 4.063 0.119 17897 1861 1 8 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.943 0.458 17897 1862 1 8 . 1 1 47 47 LEU H H 47 8.787 8.787 9.037 -0.250 17897 1863 1 8 . 1 1 48 48 LYS N N 48 121.007 121.007 117.799 3.208 17897 1864 1 8 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.132 -0.412 17897 1865 1 8 . 1 1 48 48 LYS CA C 48 60.739 60.739 58.814 1.925 17897 1866 1 8 . 1 1 48 48 LYS H H 48 8.106 8.106 7.480 0.626 17897 1867 1 8 . 1 1 49 49 ILE N N 49 120.417 120.417 114.612 5.805 17897 1868 1 8 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.274 -0.600 17897 1869 1 8 . 1 1 49 49 ILE CA C 49 67.644 67.644 62.612 5.032 17897 1870 1 8 . 1 1 49 49 ILE H H 49 8.831 8.831 7.981 0.850 17897 1871 1 8 . 1 1 50 50 ALA N N 50 120.372 120.372 124.570 -4.198 17897 1872 1 8 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.949 0.147 17897 1873 1 8 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.264 0.948 17897 1874 1 8 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.775 1.055 17897 1875 1 8 . 1 1 50 50 ALA H H 50 8.235 8.235 8.567 -0.332 17897 1876 1 8 . 1 1 51 51 TYR N N 51 116.980 116.980 118.242 -1.262 17897 1877 1 8 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.176 0.179 17897 1878 1 8 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.243 1.089 17897 1879 1 8 . 1 1 51 51 TYR H H 51 8.209 8.209 8.089 0.120 17897 1880 1 8 . 1 1 52 52 TYR N N 52 118.569 118.569 117.683 0.886 17897 1881 1 8 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.118 0.205 17897 1882 1 8 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.557 3.419 17897 1883 1 8 . 1 1 52 52 TYR H H 52 9.129 9.129 7.782 1.347 17897 1884 1 8 . 1 1 53 53 LEU N N 53 115.377 115.377 120.527 -5.150 17897 1885 1 8 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.275 0.312 17897 1886 1 8 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.468 0.505 17897 1887 1 8 . 1 1 53 53 LEU H H 53 8.475 8.475 8.600 -0.125 17897 1888 1 8 . 1 1 54 54 ASN N N 54 122.061 122.061 123.523 -1.462 17897 1889 1 8 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.492 0.030 17897 1890 1 8 . 1 1 54 54 ASN CA C 54 54.568 54.568 53.998 0.570 17897 1891 1 8 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.805 0.680 17897 1892 1 8 . 1 1 54 54 ASN H H 54 8.121 8.121 8.770 -0.649 17897 1893 1 8 . 1 1 55 55 THR N N 55 114.942 114.942 118.429 -3.487 17897 1894 1 8 . 1 1 55 55 THR HA H 55 5.060 5.060 4.715 0.345 17897 1895 1 8 . 1 1 55 55 THR CA C 55 61.017 61.017 59.857 1.160 17897 1896 1 8 . 1 1 55 55 THR CB C 55 75.522 75.522 69.818 5.704 17897 1897 1 8 . 1 1 55 55 THR H H 55 8.315 8.315 8.740 -0.425 17897 1898 1 8 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.683 -0.075 17897 1899 1 8 . 1 1 56 56 PRO CA C 56 63.358 63.358 63.243 0.115 17897 1900 1 8 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.049 0.160 17897 1901 1 8 . 1 1 57 57 LEU CA C 57 60.622 60.622 59.355 1.266 17897 1902 1 8 . 1 1 58 58 GLU N N 58 123.065 123.065 118.010 5.055 17897 1903 1 8 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.089 0.823 17897 1904 1 8 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.228 0.297 17897 1905 1 8 . 1 1 58 58 GLU H H 58 9.418 9.418 8.754 0.664 17897 1906 1 8 . 1 1 59 59 ASP N N 59 117.640 117.640 117.910 -0.270 17897 1907 1 8 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.544 0.034 17897 1908 1 8 . 1 1 59 59 ASP CA C 59 56.980 56.980 55.771 1.209 17897 1909 1 8 . 1 1 59 59 ASP H H 59 8.073 8.073 7.935 0.138 17897 1910 1 8 . 1 1 60 60 ILE N N 60 119.506 119.506 118.362 1.144 17897 1911 1 8 . 1 1 60 60 ILE H H 60 8.276 8.276 8.223 0.053 17897 1912 1 8 . 1 1 61 61 PHE N N 61 115.913 115.913 117.040 -1.127 17897 1913 1 8 . 1 1 61 61 PHE H H 61 8.567 8.567 8.272 0.295 17897 1914 1 8 . 1 1 63 63 TRP N N 63 125.522 125.522 121.945 3.577 17897 1915 1 8 . 1 1 63 63 TRP H H 63 9.524 9.524 8.079 1.445 17897 1916 1 8 . 1 1 64 64 GLN N N 64 127.251 127.251 123.056 4.195 17897 1917 1 8 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.657 1.916 17897 1918 1 8 . 1 1 64 64 GLN H H 64 8.048 8.048 7.055 0.993 17897 1919 1 8 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.020 0.577 17897 1920 1 8 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.998 -1.969 17897 1921 1 9 . 1 1 2 2 ILE N N 2 122.866 122.866 121.797 1.069 17897 1922 1 9 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.395 1.429 17897 1923 1 9 . 1 1 2 2 ILE H H 2 9.234 9.234 7.578 1.656 17897 1924 1 9 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.464 0.016 17897 1925 1 9 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.639 0.023 17897 1926 1 9 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.292 1.263 17897 1927 1 9 . 1 1 4 4 ASN N N 4 124.006 124.006 121.553 2.453 17897 1928 1 9 . 1 1 4 4 ASN H H 4 9.158 9.158 8.521 0.637 17897 1929 1 9 . 1 1 6 6 LEU N N 6 120.561 120.561 121.296 -0.735 17897 1930 1 9 . 1 1 6 6 LEU HA H 6 3.779 3.779 3.965 -0.186 17897 1931 1 9 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.973 2.626 17897 1932 1 9 . 1 1 6 6 LEU H H 6 8.637 8.637 8.397 0.240 17897 1933 1 9 . 1 1 7 7 LYS N N 7 118.177 118.177 118.764 -0.587 17897 1934 1 9 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.993 -0.022 17897 1935 1 9 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.287 2.033 17897 1936 1 9 . 1 1 7 7 LYS CB C 7 32.434 32.434 32.023 0.411 17897 1937 1 9 . 1 1 7 7 LYS H H 7 9.010 9.010 7.942 1.068 17897 1938 1 9 . 1 1 8 8 LEU N N 8 116.280 116.280 119.614 -3.334 17897 1939 1 9 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.071 0.091 17897 1940 1 9 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.411 0.879 17897 1941 1 9 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.695 1.064 17897 1942 1 9 . 1 1 8 8 LEU H H 8 7.762 7.762 8.596 -0.834 17897 1943 1 9 . 1 1 9 9 ILE N N 9 119.178 119.178 118.773 0.405 17897 1944 1 9 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.712 0.152 17897 1945 1 9 . 1 1 9 9 ILE CA C 9 63.901 63.901 64.122 -0.221 17897 1946 1 9 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.474 1.210 17897 1947 1 9 . 1 1 9 9 ILE H H 9 8.277 8.277 7.504 0.773 17897 1948 1 9 . 1 1 10 10 ARG N N 10 120.083 120.083 118.767 1.316 17897 1949 1 9 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.891 -0.013 17897 1950 1 9 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.743 1.083 17897 1951 1 9 . 1 1 10 10 ARG H H 10 9.313 9.313 7.645 1.668 17897 1952 1 9 . 1 1 11 11 GLU N N 11 115.851 115.851 118.553 -2.702 17897 1953 1 9 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.130 0.109 17897 1954 1 9 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.773 1.513 17897 1955 1 9 . 1 1 11 11 GLU H H 11 8.760 8.760 7.760 1.000 17897 1956 1 9 . 1 1 12 12 LYS N N 12 122.969 122.969 121.710 1.259 17897 1957 1 9 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.110 0.151 17897 1958 1 9 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.965 1.252 17897 1959 1 9 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.500 0.398 17897 1960 1 9 . 1 1 12 12 LYS H H 12 8.300 8.300 8.197 0.103 17897 1961 1 9 . 1 1 13 13 LYS N N 13 116.249 116.249 117.445 -1.196 17897 1962 1 9 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.180 0.133 17897 1963 1 9 . 1 1 13 13 LYS CA C 13 55.846 55.846 56.345 -0.499 17897 1964 1 9 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.623 -0.870 17897 1965 1 9 . 1 1 13 13 LYS H H 13 7.807 7.807 8.403 -0.596 17897 1966 1 9 . 1 1 14 14 LYS N N 14 115.342 115.342 116.582 -1.240 17897 1967 1 9 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.994 0.089 17897 1968 1 9 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.400 0.654 17897 1969 1 9 . 1 1 14 14 LYS H H 14 8.128 8.128 7.848 0.280 17897 1970 1 9 . 1 1 15 15 ILE N N 15 118.385 118.385 111.512 6.873 17897 1971 1 9 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.655 -0.049 17897 1972 1 9 . 1 1 15 15 ILE CA C 15 59.803 59.803 58.871 0.932 17897 1973 1 9 . 1 1 15 15 ILE H H 15 7.601 7.601 7.794 -0.193 17897 1974 1 9 . 1 1 16 16 SER N N 16 125.109 125.109 117.338 7.771 17897 1975 1 9 . 1 1 16 16 SER HA H 16 4.582 4.582 4.533 0.049 17897 1976 1 9 . 1 1 16 16 SER CA C 16 57.628 57.628 57.220 0.408 17897 1977 1 9 . 1 1 16 16 SER H H 16 9.528 9.528 9.025 0.503 17897 1978 1 9 . 1 1 17 17 GLN N N 17 120.159 120.159 125.322 -5.163 17897 1979 1 9 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.116 -0.233 17897 1980 1 9 . 1 1 17 17 GLN CA C 17 62.611 62.611 58.647 3.964 17897 1981 1 9 . 1 1 17 17 GLN H H 17 9.587 9.587 8.986 0.601 17897 1982 1 9 . 1 1 18 18 SER N N 18 113.031 113.031 115.812 -2.781 17897 1983 1 9 . 1 1 18 18 SER H H 18 9.072 9.072 8.349 0.723 17897 1984 1 9 . 1 1 19 19 GLU N N 19 124.022 124.022 122.636 1.386 17897 1985 1 9 . 1 1 19 19 GLU HA H 19 4.217 4.217 3.741 0.476 17897 1986 1 9 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.783 0.914 17897 1987 1 9 . 1 1 19 19 GLU H H 19 8.409 8.409 7.326 1.083 17897 1988 1 9 . 1 1 20 20 LEU N N 20 119.979 119.979 119.668 0.311 17897 1989 1 9 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.918 0.198 17897 1990 1 9 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.246 0.149 17897 1991 1 9 . 1 1 20 20 LEU H H 20 8.381 8.381 7.389 0.992 17897 1992 1 9 . 1 1 21 21 ALA N N 21 119.822 119.822 121.742 -1.920 17897 1993 1 9 . 1 1 21 21 ALA HA H 21 3.615 3.615 3.993 -0.378 17897 1994 1 9 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.900 -0.157 17897 1995 1 9 . 1 1 21 21 ALA CB C 21 17.674 17.674 17.947 -0.273 17897 1996 1 9 . 1 1 21 21 ALA H H 21 8.670 8.670 8.202 0.468 17897 1997 1 9 . 1 1 22 22 ALA N N 22 117.186 117.186 121.576 -4.390 17897 1998 1 9 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.338 -0.032 17897 1999 1 9 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.344 1.188 17897 2000 1 9 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.255 0.214 17897 2001 1 9 . 1 1 22 22 ALA H H 22 7.869 7.869 8.406 -0.537 17897 2002 1 9 . 1 1 23 23 LEU N N 23 118.476 118.476 117.886 0.590 17897 2003 1 9 . 1 1 23 23 LEU HA H 23 4.089 4.089 4.069 0.020 17897 2004 1 9 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.294 0.833 17897 2005 1 9 . 1 1 23 23 LEU H H 23 7.581 7.581 7.519 0.062 17897 2006 1 9 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.343 -0.031 17897 2007 1 9 . 1 1 24 24 LEU CA C 24 55.700 55.700 54.801 0.899 17897 2008 1 9 . 1 1 25 25 GLU N N 25 114.844 114.844 116.941 -2.097 17897 2009 1 9 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.974 0.110 17897 2010 1 9 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.784 0.449 17897 2011 1 9 . 1 1 25 25 GLU H H 25 8.076 8.076 8.404 -0.328 17897 2012 1 9 . 1 1 26 26 VAL N N 26 109.651 109.651 112.778 -3.127 17897 2013 1 9 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.531 0.362 17897 2014 1 9 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.756 -0.636 17897 2015 1 9 . 1 1 26 26 VAL H H 26 8.037 8.037 7.170 0.867 17897 2016 1 9 . 1 1 27 27 SER N N 27 114.367 114.367 116.883 -2.516 17897 2017 1 9 . 1 1 27 27 SER CB C 27 63.110 63.110 62.733 0.376 17897 2018 1 9 . 1 1 27 27 SER H H 27 8.694 8.694 8.735 -0.041 17897 2019 1 9 . 1 1 28 28 ARG N N 28 115.247 115.247 123.350 -8.103 17897 2020 1 9 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.927 -0.148 17897 2021 1 9 . 1 1 28 28 ARG CA C 28 60.683 60.683 59.332 1.351 17897 2022 1 9 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.338 0.551 17897 2023 1 9 . 1 1 28 28 ARG H H 28 8.301 8.301 8.261 0.040 17897 2024 1 9 . 1 1 29 29 GLN N N 29 117.269 117.269 116.442 0.827 17897 2025 1 9 . 1 1 29 29 GLN HA H 29 4.237 4.237 3.988 0.249 17897 2026 1 9 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.042 0.971 17897 2027 1 9 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.294 0.104 17897 2028 1 9 . 1 1 29 29 GLN H H 29 8.882 8.882 7.849 1.033 17897 2029 1 9 . 1 1 30 30 THR N N 30 119.977 119.977 115.304 4.673 17897 2030 1 9 . 1 1 30 30 THR HA H 30 4.601 4.601 4.118 0.483 17897 2031 1 9 . 1 1 30 30 THR CA C 30 68.731 68.731 65.647 3.084 17897 2032 1 9 . 1 1 30 30 THR CB C 30 67.567 67.567 68.696 -1.129 17897 2033 1 9 . 1 1 30 30 THR H H 30 8.203 8.203 7.797 0.406 17897 2034 1 9 . 1 1 31 31 ILE N N 31 118.714 118.714 117.307 1.407 17897 2035 1 9 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.111 -0.326 17897 2036 1 9 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.152 -0.997 17897 2037 1 9 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.747 -1.921 17897 2038 1 9 . 1 1 31 31 ILE H H 31 7.197 7.197 8.223 -1.026 17897 2039 1 9 . 1 1 32 32 ASN N N 32 118.007 118.007 120.953 -2.946 17897 2040 1 9 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.568 -0.222 17897 2041 1 9 . 1 1 32 32 ASN CA C 32 58.058 58.058 57.244 0.814 17897 2042 1 9 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.606 1.448 17897 2043 1 9 . 1 1 32 32 ASN H H 32 8.730 8.730 9.065 -0.335 17897 2044 1 9 . 1 1 33 33 GLY N N 33 124.914 124.914 108.696 16.218 17897 2045 1 9 . 1 1 33 33 GLY H H 33 8.713 8.713 8.418 0.295 17897 2046 1 9 . 1 1 34 34 ILE N N 34 122.110 122.110 123.062 -0.952 17897 2047 1 9 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.814 0.537 17897 2048 1 9 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.297 2.146 17897 2049 1 9 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.208 1.978 17897 2050 1 9 . 1 1 34 34 ILE H H 34 8.246 8.246 7.330 0.916 17897 2051 1 9 . 1 1 35 35 GLU N N 35 120.672 120.672 120.065 0.607 17897 2052 1 9 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.180 0.147 17897 2053 1 9 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.471 1.218 17897 2054 1 9 . 1 1 35 35 GLU H H 35 8.684 8.684 8.609 0.075 17897 2055 1 9 . 1 1 36 36 LYS N N 36 115.941 115.941 115.870 0.071 17897 2056 1 9 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.146 0.466 17897 2057 1 9 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.931 -2.630 17897 2058 1 9 . 1 1 36 36 LYS H H 36 8.152 8.152 8.340 -0.188 17897 2059 1 9 . 1 1 37 37 ASN N N 37 114.474 114.474 116.081 -1.607 17897 2060 1 9 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.658 0.240 17897 2061 1 9 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.478 0.582 17897 2062 1 9 . 1 1 37 37 ASN CB C 37 37.776 37.776 39.066 -1.290 17897 2063 1 9 . 1 1 37 37 ASN H H 37 8.263 8.263 8.485 -0.222 17897 2064 1 9 . 1 1 38 38 LYS N N 38 115.022 115.022 117.691 -2.669 17897 2065 1 9 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.073 0.407 17897 2066 1 9 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.818 -0.974 17897 2067 1 9 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.920 1.111 17897 2068 1 9 . 1 1 38 38 LYS H H 38 8.789 8.789 8.212 0.577 17897 2069 1 9 . 1 1 39 39 TYR N N 39 116.894 116.894 117.371 -0.477 17897 2070 1 9 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.615 0.080 17897 2071 1 9 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.331 -0.008 17897 2072 1 9 . 1 1 39 39 TYR H H 39 7.120 7.120 7.716 -0.596 17897 2073 1 9 . 1 1 40 40 ASN N N 40 123.571 123.571 117.588 5.983 17897 2074 1 9 . 1 1 40 40 ASN H H 40 8.925 8.925 8.584 0.341 17897 2075 1 9 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.461 -0.606 17897 2076 1 9 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.527 0.045 17897 2077 1 9 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.937 0.524 17897 2078 1 9 . 1 1 42 42 SER N N 42 125.757 125.757 119.127 6.630 17897 2079 1 9 . 1 1 42 42 SER HA H 42 4.596 4.596 4.639 -0.043 17897 2080 1 9 . 1 1 42 42 SER CA C 42 58.235 58.235 57.425 0.810 17897 2081 1 9 . 1 1 42 42 SER H H 42 8.113 8.113 8.543 -0.430 17897 2082 1 9 . 1 1 43 43 LEU N N 43 120.595 120.595 126.966 -6.371 17897 2083 1 9 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.869 0.158 17897 2084 1 9 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.803 0.278 17897 2085 1 9 . 1 1 43 43 LEU H H 43 9.354 9.354 8.956 0.398 17897 2086 1 9 . 1 1 44 44 GLN N N 44 116.009 116.009 118.940 -2.931 17897 2087 1 9 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.001 -0.244 17897 2088 1 9 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.935 1.805 17897 2089 1 9 . 1 1 44 44 GLN H H 44 8.964 8.964 8.443 0.521 17897 2090 1 9 . 1 1 45 45 LEU N N 45 119.443 119.443 119.482 -0.039 17897 2091 1 9 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.092 -0.447 17897 2092 1 9 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.216 -2.517 17897 2093 1 9 . 1 1 45 45 LEU H H 45 8.167 8.167 7.836 0.331 17897 2094 1 9 . 1 1 46 46 ALA N N 46 120.477 120.477 123.010 -2.533 17897 2095 1 9 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.002 0.027 17897 2096 1 9 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.349 1.136 17897 2097 1 9 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.177 2.476 17897 2098 1 9 . 1 1 46 46 ALA H H 46 8.559 8.559 8.654 -0.095 17897 2099 1 9 . 1 1 47 47 LEU N N 47 116.564 116.564 118.003 -1.439 17897 2100 1 9 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.967 0.215 17897 2101 1 9 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.382 0.019 17897 2102 1 9 . 1 1 47 47 LEU H H 47 8.787 8.787 8.954 -0.167 17897 2103 1 9 . 1 1 48 48 LYS N N 48 121.007 121.007 119.025 1.982 17897 2104 1 9 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.080 -0.360 17897 2105 1 9 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.411 1.328 17897 2106 1 9 . 1 1 48 48 LYS H H 48 8.106 8.106 7.268 0.838 17897 2107 1 9 . 1 1 49 49 ILE N N 49 120.417 120.417 121.258 -0.841 17897 2108 1 9 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.931 -0.257 17897 2109 1 9 . 1 1 49 49 ILE CA C 49 67.644 67.644 62.867 4.777 17897 2110 1 9 . 1 1 49 49 ILE H H 49 8.831 8.831 8.655 0.176 17897 2111 1 9 . 1 1 50 50 ALA N N 50 120.372 120.372 122.649 -2.277 17897 2112 1 9 . 1 1 50 50 ALA HA H 50 4.096 4.096 4.163 -0.067 17897 2113 1 9 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.787 1.425 17897 2114 1 9 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.877 0.953 17897 2115 1 9 . 1 1 50 50 ALA H H 50 8.235 8.235 8.908 -0.673 17897 2116 1 9 . 1 1 51 51 TYR N N 51 116.980 116.980 119.541 -2.561 17897 2117 1 9 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.135 0.220 17897 2118 1 9 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.333 0.999 17897 2119 1 9 . 1 1 51 51 TYR H H 51 8.209 8.209 7.626 0.583 17897 2120 1 9 . 1 1 52 52 TYR N N 52 118.569 118.569 118.903 -0.334 17897 2121 1 9 . 1 1 52 52 TYR HA H 52 4.323 4.323 3.948 0.375 17897 2122 1 9 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.425 3.551 17897 2123 1 9 . 1 1 52 52 TYR H H 52 9.129 9.129 8.151 0.978 17897 2124 1 9 . 1 1 53 53 LEU N N 53 115.377 115.377 120.827 -5.450 17897 2125 1 9 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.160 0.426 17897 2126 1 9 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.160 0.813 17897 2127 1 9 . 1 1 53 53 LEU H H 53 8.475 8.475 8.782 -0.307 17897 2128 1 9 . 1 1 54 54 ASN N N 54 122.061 122.061 124.437 -2.376 17897 2129 1 9 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.440 0.082 17897 2130 1 9 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.825 -0.257 17897 2131 1 9 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.993 0.492 17897 2132 1 9 . 1 1 54 54 ASN H H 54 8.121 8.121 8.669 -0.548 17897 2133 1 9 . 1 1 55 55 THR N N 55 114.942 114.942 117.702 -2.760 17897 2134 1 9 . 1 1 55 55 THR HA H 55 5.060 5.060 4.636 0.424 17897 2135 1 9 . 1 1 55 55 THR CA C 55 61.017 61.017 59.333 1.684 17897 2136 1 9 . 1 1 55 55 THR CB C 55 75.522 75.522 70.864 4.658 17897 2137 1 9 . 1 1 55 55 THR H H 55 8.315 8.315 8.282 0.033 17897 2138 1 9 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.506 0.102 17897 2139 1 9 . 1 1 56 56 PRO CA C 56 63.358 63.358 63.452 -0.094 17897 2140 1 9 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.969 0.240 17897 2141 1 9 . 1 1 57 57 LEU CA C 57 60.622 60.622 55.260 5.362 17897 2142 1 9 . 1 1 58 58 GLU N N 58 123.065 123.065 120.433 2.632 17897 2143 1 9 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.193 0.719 17897 2144 1 9 . 1 1 58 58 GLU CA C 58 59.525 59.525 58.682 0.843 17897 2145 1 9 . 1 1 58 58 GLU H H 58 9.418 9.418 8.635 0.783 17897 2146 1 9 . 1 1 59 59 ASP N N 59 117.640 117.640 120.140 -2.500 17897 2147 1 9 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.471 0.107 17897 2148 1 9 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.319 0.661 17897 2149 1 9 . 1 1 59 59 ASP H H 59 8.073 8.073 8.142 -0.069 17897 2150 1 9 . 1 1 60 60 ILE N N 60 119.506 119.506 117.286 2.220 17897 2151 1 9 . 1 1 60 60 ILE H H 60 8.276 8.276 7.639 0.637 17897 2152 1 9 . 1 1 61 61 PHE N N 61 115.913 115.913 118.054 -2.141 17897 2153 1 9 . 1 1 61 61 PHE H H 61 8.567 8.567 8.378 0.189 17897 2154 1 9 . 1 1 63 63 TRP N N 63 125.522 125.522 122.426 3.096 17897 2155 1 9 . 1 1 63 63 TRP H H 63 9.524 9.524 6.695 2.829 17897 2156 1 9 . 1 1 64 64 GLN N N 64 127.251 127.251 127.885 -0.634 17897 2157 1 9 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.545 3.028 17897 2158 1 9 . 1 1 64 64 GLN H H 64 8.048 8.048 7.944 0.104 17897 2159 1 9 . 1 1 65 65 PRO HA H 65 4.597 4.597 3.967 0.630 17897 2160 1 9 . 1 1 65 65 PRO CA C 65 62.029 62.029 62.736 -0.707 17897 2161 1 10 . 1 1 2 2 ILE N N 2 122.866 122.866 119.738 3.128 17897 2162 1 10 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.196 1.627 17897 2163 1 10 . 1 1 2 2 ILE H H 2 9.234 9.234 8.286 0.948 17897 2164 1 10 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.116 0.364 17897 2165 1 10 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.411 0.251 17897 2166 1 10 . 1 1 3 3 ILE CB C 3 39.555 39.555 39.868 -0.313 17897 2167 1 10 . 1 1 4 4 ASN N N 4 124.006 124.006 125.187 -1.181 17897 2168 1 10 . 1 1 4 4 ASN H H 4 9.158 9.158 8.382 0.776 17897 2169 1 10 . 1 1 6 6 LEU N N 6 120.561 120.561 128.104 -7.543 17897 2170 1 10 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.063 -0.284 17897 2171 1 10 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.233 2.366 17897 2172 1 10 . 1 1 6 6 LEU H H 6 8.637 8.637 8.956 -0.319 17897 2173 1 10 . 1 1 7 7 LYS N N 7 118.177 118.177 120.161 -1.984 17897 2174 1 10 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.012 -0.041 17897 2175 1 10 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.791 1.529 17897 2176 1 10 . 1 1 7 7 LYS CB C 7 32.434 32.434 32.094 0.340 17897 2177 1 10 . 1 1 7 7 LYS H H 7 9.010 9.010 8.995 0.015 17897 2178 1 10 . 1 1 8 8 LEU N N 8 116.280 116.280 119.147 -2.867 17897 2179 1 10 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.124 0.038 17897 2180 1 10 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.345 0.945 17897 2181 1 10 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.720 1.039 17897 2182 1 10 . 1 1 8 8 LEU H H 8 7.762 7.762 8.002 -0.240 17897 2183 1 10 . 1 1 9 9 ILE N N 9 119.178 119.178 120.374 -1.196 17897 2184 1 10 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.721 0.143 17897 2185 1 10 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.437 0.464 17897 2186 1 10 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.639 1.045 17897 2187 1 10 . 1 1 9 9 ILE H H 9 8.277 8.277 8.868 -0.591 17897 2188 1 10 . 1 1 10 10 ARG N N 10 120.083 120.083 118.987 1.096 17897 2189 1 10 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.854 0.024 17897 2190 1 10 . 1 1 10 10 ARG CA C 10 61.826 61.826 59.891 1.935 17897 2191 1 10 . 1 1 10 10 ARG H H 10 9.313 9.313 7.897 1.416 17897 2192 1 10 . 1 1 11 11 GLU N N 11 115.851 115.851 118.907 -3.056 17897 2193 1 10 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.121 0.118 17897 2194 1 10 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.633 1.653 17897 2195 1 10 . 1 1 11 11 GLU H H 11 8.760 8.760 7.931 0.829 17897 2196 1 10 . 1 1 12 12 LYS N N 12 122.969 122.969 119.435 3.534 17897 2197 1 10 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.145 0.116 17897 2198 1 10 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.523 1.694 17897 2199 1 10 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.779 0.119 17897 2200 1 10 . 1 1 12 12 LYS H H 12 8.300 8.300 8.428 -0.128 17897 2201 1 10 . 1 1 13 13 LYS N N 13 116.249 116.249 117.238 -0.989 17897 2202 1 10 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.333 -0.020 17897 2203 1 10 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.526 0.320 17897 2204 1 10 . 1 1 13 13 LYS CB C 13 31.753 31.753 33.219 -1.466 17897 2205 1 10 . 1 1 13 13 LYS H H 13 7.807 7.807 7.954 -0.147 17897 2206 1 10 . 1 1 14 14 LYS N N 14 115.342 115.342 117.179 -1.837 17897 2207 1 10 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.991 0.092 17897 2208 1 10 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.549 0.505 17897 2209 1 10 . 1 1 14 14 LYS H H 14 8.128 8.128 8.071 0.057 17897 2210 1 10 . 1 1 15 15 ILE N N 15 118.385 118.385 112.906 5.479 17897 2211 1 10 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.953 -0.347 17897 2212 1 10 . 1 1 15 15 ILE CA C 15 59.803 59.803 58.776 1.027 17897 2213 1 10 . 1 1 15 15 ILE H H 15 7.601 7.601 7.546 0.055 17897 2214 1 10 . 1 1 16 16 SER N N 16 125.109 125.109 122.500 2.609 17897 2215 1 10 . 1 1 16 16 SER HA H 16 4.582 4.582 4.549 0.033 17897 2216 1 10 . 1 1 16 16 SER CA C 16 57.628 57.628 57.597 0.031 17897 2217 1 10 . 1 1 16 16 SER H H 16 9.528 9.528 9.911 -0.383 17897 2218 1 10 . 1 1 17 17 GLN N N 17 120.159 120.159 121.291 -1.132 17897 2219 1 10 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.031 -0.148 17897 2220 1 10 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.573 3.038 17897 2221 1 10 . 1 1 17 17 GLN H H 17 9.587 9.587 9.022 0.565 17897 2222 1 10 . 1 1 18 18 SER N N 18 113.031 113.031 114.893 -1.862 17897 2223 1 10 . 1 1 18 18 SER H H 18 9.072 9.072 8.516 0.556 17897 2224 1 10 . 1 1 19 19 GLU N N 19 124.022 124.022 122.826 1.196 17897 2225 1 10 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.028 0.189 17897 2226 1 10 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.080 0.617 17897 2227 1 10 . 1 1 19 19 GLU H H 19 8.409 8.409 7.502 0.907 17897 2228 1 10 . 1 1 20 20 LEU N N 20 119.979 119.979 119.692 0.287 17897 2229 1 10 . 1 1 20 20 LEU HA H 20 4.116 4.116 4.022 0.094 17897 2230 1 10 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.808 0.587 17897 2231 1 10 . 1 1 20 20 LEU H H 20 8.381 8.381 7.647 0.734 17897 2232 1 10 . 1 1 21 21 ALA N N 21 119.822 119.822 121.024 -1.202 17897 2233 1 10 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.029 -0.414 17897 2234 1 10 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.877 -0.134 17897 2235 1 10 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.081 -0.407 17897 2236 1 10 . 1 1 21 21 ALA H H 21 8.670 8.670 7.879 0.791 17897 2237 1 10 . 1 1 22 22 ALA N N 22 117.186 117.186 121.766 -4.580 17897 2238 1 10 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.022 0.284 17897 2239 1 10 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.598 0.934 17897 2240 1 10 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.241 0.228 17897 2241 1 10 . 1 1 22 22 ALA H H 22 7.869 7.869 8.411 -0.542 17897 2242 1 10 . 1 1 23 23 LEU N N 23 118.476 118.476 118.028 0.448 17897 2243 1 10 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.799 0.290 17897 2244 1 10 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.278 0.849 17897 2245 1 10 . 1 1 23 23 LEU H H 23 7.581 7.581 7.762 -0.181 17897 2246 1 10 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.241 0.071 17897 2247 1 10 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.304 0.396 17897 2248 1 10 . 1 1 25 25 GLU N N 25 114.844 114.844 115.599 -0.755 17897 2249 1 10 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.986 0.098 17897 2250 1 10 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.640 0.593 17897 2251 1 10 . 1 1 25 25 GLU H H 25 8.076 8.076 7.978 0.098 17897 2252 1 10 . 1 1 26 26 VAL N N 26 109.651 109.651 112.057 -2.406 17897 2253 1 10 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.474 0.419 17897 2254 1 10 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.140 -0.020 17897 2255 1 10 . 1 1 26 26 VAL H H 26 8.037 8.037 7.263 0.774 17897 2256 1 10 . 1 1 27 27 SER N N 27 114.367 114.367 117.843 -3.476 17897 2257 1 10 . 1 1 27 27 SER CB C 27 63.110 63.110 62.855 0.255 17897 2258 1 10 . 1 1 27 27 SER H H 27 8.694 8.694 8.769 -0.075 17897 2259 1 10 . 1 1 28 28 ARG N N 28 115.247 115.247 122.327 -7.080 17897 2260 1 10 . 1 1 28 28 ARG HA H 28 3.779 3.779 4.045 -0.266 17897 2261 1 10 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.468 2.215 17897 2262 1 10 . 1 1 28 28 ARG CB C 28 29.889 29.889 28.979 0.910 17897 2263 1 10 . 1 1 28 28 ARG H H 28 8.301 8.301 8.197 0.104 17897 2264 1 10 . 1 1 29 29 GLN N N 29 117.269 117.269 117.205 0.064 17897 2265 1 10 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.094 0.143 17897 2266 1 10 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.891 1.122 17897 2267 1 10 . 1 1 29 29 GLN CB C 29 28.398 28.398 27.654 0.744 17897 2268 1 10 . 1 1 29 29 GLN H H 29 8.882 8.882 8.321 0.561 17897 2269 1 10 . 1 1 30 30 THR N N 30 119.977 119.977 116.639 3.338 17897 2270 1 10 . 1 1 30 30 THR HA H 30 4.601 4.601 4.061 0.540 17897 2271 1 10 . 1 1 30 30 THR CA C 30 68.731 68.731 66.046 2.685 17897 2272 1 10 . 1 1 30 30 THR CB C 30 67.567 67.567 68.803 -1.236 17897 2273 1 10 . 1 1 30 30 THR H H 30 8.203 8.203 7.816 0.387 17897 2274 1 10 . 1 1 31 31 ILE N N 31 118.714 118.714 117.716 0.998 17897 2275 1 10 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.067 -0.282 17897 2276 1 10 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.147 -0.992 17897 2277 1 10 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.962 -2.136 17897 2278 1 10 . 1 1 31 31 ILE H H 31 7.197 7.197 8.443 -1.246 17897 2279 1 10 . 1 1 32 32 ASN N N 32 118.007 118.007 120.767 -2.760 17897 2280 1 10 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.399 -0.053 17897 2281 1 10 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.890 1.168 17897 2282 1 10 . 1 1 32 32 ASN CB C 32 40.054 40.054 37.333 2.721 17897 2283 1 10 . 1 1 32 32 ASN H H 32 8.730 8.730 8.594 0.136 17897 2284 1 10 . 1 1 33 33 GLY N N 33 124.914 124.914 108.827 16.087 17897 2285 1 10 . 1 1 33 33 GLY H H 33 8.713 8.713 7.922 0.791 17897 2286 1 10 . 1 1 34 34 ILE N N 34 122.110 122.110 122.715 -0.605 17897 2287 1 10 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.962 0.389 17897 2288 1 10 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.838 1.605 17897 2289 1 10 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.676 1.510 17897 2290 1 10 . 1 1 34 34 ILE H H 34 8.246 8.246 7.409 0.837 17897 2291 1 10 . 1 1 35 35 GLU N N 35 120.672 120.672 120.700 -0.028 17897 2292 1 10 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.194 0.133 17897 2293 1 10 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.881 0.808 17897 2294 1 10 . 1 1 35 35 GLU H H 35 8.684 8.684 8.866 -0.182 17897 2295 1 10 . 1 1 36 36 LYS N N 36 115.941 115.941 119.924 -3.983 17897 2296 1 10 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.433 0.179 17897 2297 1 10 . 1 1 36 36 LYS CA C 36 56.301 56.301 59.069 -2.768 17897 2298 1 10 . 1 1 36 36 LYS H H 36 8.152 8.152 8.953 -0.801 17897 2299 1 10 . 1 1 37 37 ASN N N 37 114.474 114.474 118.739 -4.265 17897 2300 1 10 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.484 0.414 17897 2301 1 10 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.559 0.501 17897 2302 1 10 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.462 -0.686 17897 2303 1 10 . 1 1 37 37 ASN H H 37 8.263 8.263 8.054 0.209 17897 2304 1 10 . 1 1 38 38 LYS N N 38 115.022 115.022 118.175 -3.153 17897 2305 1 10 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.020 0.460 17897 2306 1 10 . 1 1 38 38 LYS CA C 38 56.844 56.844 58.492 -1.647 17897 2307 1 10 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.156 0.875 17897 2308 1 10 . 1 1 38 38 LYS H H 38 8.789 8.789 8.264 0.525 17897 2309 1 10 . 1 1 39 39 TYR N N 39 116.894 116.894 116.722 0.172 17897 2310 1 10 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.572 0.123 17897 2311 1 10 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.996 -0.673 17897 2312 1 10 . 1 1 39 39 TYR H H 39 7.120 7.120 8.453 -1.333 17897 2313 1 10 . 1 1 40 40 ASN N N 40 123.571 123.571 121.248 2.323 17897 2314 1 10 . 1 1 40 40 ASN H H 40 8.925 8.925 8.695 0.230 17897 2315 1 10 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.404 -0.549 17897 2316 1 10 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.640 -0.068 17897 2317 1 10 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.004 0.457 17897 2318 1 10 . 1 1 42 42 SER N N 42 125.757 125.757 117.902 7.855 17897 2319 1 10 . 1 1 42 42 SER HA H 42 4.596 4.596 4.494 0.102 17897 2320 1 10 . 1 1 42 42 SER CA C 42 58.235 58.235 58.331 -0.096 17897 2321 1 10 . 1 1 42 42 SER H H 42 8.113 8.113 8.384 -0.271 17897 2322 1 10 . 1 1 43 43 LEU N N 43 120.595 120.595 126.503 -5.908 17897 2323 1 10 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.896 0.131 17897 2324 1 10 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.434 0.647 17897 2325 1 10 . 1 1 43 43 LEU H H 43 9.354 9.354 8.834 0.520 17897 2326 1 10 . 1 1 44 44 GLN N N 44 116.009 116.009 118.425 -2.416 17897 2327 1 10 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.101 -0.344 17897 2328 1 10 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.852 1.888 17897 2329 1 10 . 1 1 44 44 GLN H H 44 8.964 8.964 8.448 0.516 17897 2330 1 10 . 1 1 45 45 LEU N N 45 119.443 119.443 120.275 -0.832 17897 2331 1 10 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.037 -0.392 17897 2332 1 10 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.159 -2.460 17897 2333 1 10 . 1 1 45 45 LEU H H 45 8.167 8.167 7.907 0.260 17897 2334 1 10 . 1 1 46 46 ALA N N 46 120.477 120.477 121.528 -1.051 17897 2335 1 10 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.050 -0.021 17897 2336 1 10 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.964 1.521 17897 2337 1 10 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.053 2.600 17897 2338 1 10 . 1 1 46 46 ALA H H 46 8.559 8.559 8.228 0.331 17897 2339 1 10 . 1 1 47 47 LEU N N 47 116.564 116.564 118.602 -2.038 17897 2340 1 10 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.881 0.301 17897 2341 1 10 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.240 0.161 17897 2342 1 10 . 1 1 47 47 LEU H H 47 8.787 8.787 7.790 0.997 17897 2343 1 10 . 1 1 48 48 LYS N N 48 121.007 121.007 118.540 2.467 17897 2344 1 10 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.349 -0.629 17897 2345 1 10 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.445 1.294 17897 2346 1 10 . 1 1 48 48 LYS H H 48 8.106 8.106 7.561 0.545 17897 2347 1 10 . 1 1 49 49 ILE N N 49 120.417 120.417 120.178 0.239 17897 2348 1 10 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.989 -0.315 17897 2349 1 10 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.130 4.514 17897 2350 1 10 . 1 1 49 49 ILE H H 49 8.831 8.831 7.469 1.362 17897 2351 1 10 . 1 1 50 50 ALA N N 50 120.372 120.372 121.648 -1.276 17897 2352 1 10 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.995 0.101 17897 2353 1 10 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.492 1.720 17897 2354 1 10 . 1 1 50 50 ALA CB C 50 18.830 18.830 18.230 0.600 17897 2355 1 10 . 1 1 50 50 ALA H H 50 8.235 8.235 8.663 -0.428 17897 2356 1 10 . 1 1 51 51 TYR N N 51 116.980 116.980 115.626 1.354 17897 2357 1 10 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.044 0.311 17897 2358 1 10 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.042 1.290 17897 2359 1 10 . 1 1 51 51 TYR H H 51 8.209 8.209 7.288 0.921 17897 2360 1 10 . 1 1 52 52 TYR N N 52 118.569 118.569 114.572 3.997 17897 2361 1 10 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.576 -0.253 17897 2362 1 10 . 1 1 52 52 TYR CA C 52 63.976 63.976 57.592 6.384 17897 2363 1 10 . 1 1 52 52 TYR H H 52 9.129 9.129 7.418 1.711 17897 2364 1 10 . 1 1 53 53 LEU N N 53 115.377 115.377 117.638 -2.261 17897 2365 1 10 . 1 1 53 53 LEU HA H 53 4.587 4.587 3.853 0.734 17897 2366 1 10 . 1 1 53 53 LEU CA C 53 54.973 54.973 56.855 -1.882 17897 2367 1 10 . 1 1 53 53 LEU H H 53 8.475 8.475 8.801 -0.326 17897 2368 1 10 . 1 1 54 54 ASN N N 54 122.061 122.061 115.080 6.981 17897 2369 1 10 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.445 0.077 17897 2370 1 10 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.707 -0.139 17897 2371 1 10 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.267 1.218 17897 2372 1 10 . 1 1 54 54 ASN H H 54 8.121 8.121 8.714 -0.593 17897 2373 1 10 . 1 1 55 55 THR N N 55 114.942 114.942 114.735 0.207 17897 2374 1 10 . 1 1 55 55 THR HA H 55 5.060 5.060 4.650 0.410 17897 2375 1 10 . 1 1 55 55 THR CA C 55 61.017 61.017 60.306 0.711 17897 2376 1 10 . 1 1 55 55 THR CB C 55 75.522 75.522 71.463 4.059 17897 2377 1 10 . 1 1 55 55 THR H H 55 8.315 8.315 7.554 0.761 17897 2378 1 10 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.555 0.053 17897 2379 1 10 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.572 0.786 17897 2380 1 10 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.978 0.231 17897 2381 1 10 . 1 1 57 57 LEU CA C 57 60.622 60.622 57.995 2.627 17897 2382 1 10 . 1 1 58 58 GLU N N 58 123.065 123.065 118.927 4.138 17897 2383 1 10 . 1 1 58 58 GLU HA H 58 4.912 4.912 3.892 1.020 17897 2384 1 10 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.251 0.274 17897 2385 1 10 . 1 1 58 58 GLU H H 58 9.418 9.418 8.767 0.651 17897 2386 1 10 . 1 1 59 59 ASP N N 59 117.640 117.640 120.095 -2.455 17897 2387 1 10 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.418 0.160 17897 2388 1 10 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.909 0.071 17897 2389 1 10 . 1 1 59 59 ASP H H 59 8.073 8.073 7.616 0.457 17897 2390 1 10 . 1 1 60 60 ILE N N 60 119.506 119.506 113.340 6.166 17897 2391 1 10 . 1 1 60 60 ILE H H 60 8.276 8.276 8.068 0.208 17897 2392 1 10 . 1 1 61 61 PHE N N 61 115.913 115.913 117.604 -1.691 17897 2393 1 10 . 1 1 61 61 PHE H H 61 8.567 8.567 7.902 0.665 17897 2394 1 10 . 1 1 63 63 TRP N N 63 125.522 125.522 119.441 6.081 17897 2395 1 10 . 1 1 63 63 TRP H H 63 9.524 9.524 8.278 1.246 17897 2396 1 10 . 1 1 64 64 GLN N N 64 127.251 127.251 123.918 3.333 17897 2397 1 10 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.964 2.609 17897 2398 1 10 . 1 1 64 64 GLN H H 64 8.048 8.048 7.989 0.059 17897 2399 1 10 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.207 0.390 17897 2400 1 10 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.370 -1.341 17897 2401 1 11 . 1 1 2 2 ILE N N 2 122.866 122.866 121.734 1.132 17897 2402 1 11 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.333 1.490 17897 2403 1 11 . 1 1 2 2 ILE H H 2 9.234 9.234 8.174 1.060 17897 2404 1 11 . 1 1 3 3 ILE HA H 3 4.480 4.480 3.868 0.612 17897 2405 1 11 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.369 0.294 17897 2406 1 11 . 1 1 3 3 ILE CB C 3 39.555 39.555 34.718 4.837 17897 2407 1 11 . 1 1 4 4 ASN N N 4 124.006 124.006 119.357 4.649 17897 2408 1 11 . 1 1 4 4 ASN H H 4 9.158 9.158 8.587 0.571 17897 2409 1 11 . 1 1 6 6 LEU N N 6 120.561 120.561 127.051 -6.490 17897 2410 1 11 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.050 -0.271 17897 2411 1 11 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.088 2.511 17897 2412 1 11 . 1 1 6 6 LEU H H 6 8.637 8.637 9.989 -1.352 17897 2413 1 11 . 1 1 7 7 LYS N N 7 118.177 118.177 117.986 0.191 17897 2414 1 11 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.013 -0.042 17897 2415 1 11 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.280 2.040 17897 2416 1 11 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.602 0.832 17897 2417 1 11 . 1 1 7 7 LYS H H 7 9.010 9.010 7.794 1.216 17897 2418 1 11 . 1 1 8 8 LEU N N 8 116.280 116.280 120.078 -3.798 17897 2419 1 11 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.006 0.156 17897 2420 1 11 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.179 1.111 17897 2421 1 11 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.739 1.020 17897 2422 1 11 . 1 1 8 8 LEU H H 8 7.762 7.762 7.426 0.336 17897 2423 1 11 . 1 1 9 9 ILE N N 9 119.178 119.178 116.614 2.564 17897 2424 1 11 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.811 0.053 17897 2425 1 11 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.609 0.292 17897 2426 1 11 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.651 1.032 17897 2427 1 11 . 1 1 9 9 ILE H H 9 8.277 8.277 7.655 0.622 17897 2428 1 11 . 1 1 10 10 ARG N N 10 120.083 120.083 119.051 1.032 17897 2429 1 11 . 1 1 10 10 ARG HA H 10 3.878 3.878 4.071 -0.193 17897 2430 1 11 . 1 1 10 10 ARG CA C 10 61.826 61.826 57.517 4.309 17897 2431 1 11 . 1 1 10 10 ARG H H 10 9.313 9.313 7.795 1.518 17897 2432 1 11 . 1 1 11 11 GLU N N 11 115.851 115.851 118.820 -2.969 17897 2433 1 11 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.055 0.184 17897 2434 1 11 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.050 1.236 17897 2435 1 11 . 1 1 11 11 GLU H H 11 8.760 8.760 7.914 0.846 17897 2436 1 11 . 1 1 12 12 LYS N N 12 122.969 122.969 120.230 2.739 17897 2437 1 11 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.121 0.140 17897 2438 1 11 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.639 1.579 17897 2439 1 11 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.359 0.539 17897 2440 1 11 . 1 1 12 12 LYS H H 12 8.300 8.300 7.559 0.741 17897 2441 1 11 . 1 1 13 13 LYS N N 13 116.249 116.249 118.244 -1.995 17897 2442 1 11 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.305 0.008 17897 2443 1 11 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.377 0.469 17897 2444 1 11 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.554 -0.801 17897 2445 1 11 . 1 1 13 13 LYS H H 13 7.807 7.807 7.693 0.114 17897 2446 1 11 . 1 1 14 14 LYS N N 14 115.342 115.342 115.879 -0.537 17897 2447 1 11 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.001 0.082 17897 2448 1 11 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.350 0.704 17897 2449 1 11 . 1 1 14 14 LYS H H 14 8.128 8.128 7.865 0.263 17897 2450 1 11 . 1 1 15 15 ILE N N 15 118.385 118.385 114.306 4.079 17897 2451 1 11 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.550 0.056 17897 2452 1 11 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.635 0.168 17897 2453 1 11 . 1 1 15 15 ILE H H 15 7.601 7.601 7.393 0.208 17897 2454 1 11 . 1 1 16 16 SER N N 16 125.109 125.109 122.408 2.701 17897 2455 1 11 . 1 1 16 16 SER HA H 16 4.582 4.582 4.601 -0.019 17897 2456 1 11 . 1 1 16 16 SER CA C 16 57.628 57.628 57.078 0.550 17897 2457 1 11 . 1 1 16 16 SER H H 16 9.528 9.528 8.591 0.937 17897 2458 1 11 . 1 1 17 17 GLN N N 17 120.159 120.159 121.811 -1.652 17897 2459 1 11 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.987 -0.104 17897 2460 1 11 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.271 3.340 17897 2461 1 11 . 1 1 17 17 GLN H H 17 9.587 9.587 8.941 0.646 17897 2462 1 11 . 1 1 18 18 SER N N 18 113.031 113.031 114.435 -1.404 17897 2463 1 11 . 1 1 18 18 SER H H 18 9.072 9.072 8.547 0.525 17897 2464 1 11 . 1 1 19 19 GLU N N 19 124.022 124.022 122.420 1.602 17897 2465 1 11 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.046 0.171 17897 2466 1 11 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.309 0.388 17897 2467 1 11 . 1 1 19 19 GLU H H 19 8.409 8.409 7.684 0.725 17897 2468 1 11 . 1 1 20 20 LEU N N 20 119.979 119.979 119.862 0.117 17897 2469 1 11 . 1 1 20 20 LEU HA H 20 4.116 4.116 4.035 0.081 17897 2470 1 11 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.472 -0.077 17897 2471 1 11 . 1 1 20 20 LEU H H 20 8.381 8.381 7.379 1.002 17897 2472 1 11 . 1 1 21 21 ALA N N 21 119.822 119.822 120.915 -1.093 17897 2473 1 11 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.045 -0.430 17897 2474 1 11 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.850 -0.107 17897 2475 1 11 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.145 -0.471 17897 2476 1 11 . 1 1 21 21 ALA H H 21 8.670 8.670 7.567 1.103 17897 2477 1 11 . 1 1 22 22 ALA N N 22 117.186 117.186 121.470 -4.284 17897 2478 1 11 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.045 0.261 17897 2479 1 11 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.630 0.902 17897 2480 1 11 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.238 0.231 17897 2481 1 11 . 1 1 22 22 ALA H H 22 7.869 7.869 8.298 -0.429 17897 2482 1 11 . 1 1 23 23 LEU N N 23 118.476 118.476 117.357 1.119 17897 2483 1 11 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.878 0.211 17897 2484 1 11 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.130 0.997 17897 2485 1 11 . 1 1 23 23 LEU H H 23 7.581 7.581 7.792 -0.211 17897 2486 1 11 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.124 0.188 17897 2487 1 11 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.754 -0.054 17897 2488 1 11 . 1 1 25 25 GLU N N 25 114.844 114.844 114.805 0.039 17897 2489 1 11 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.994 0.090 17897 2490 1 11 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.518 0.715 17897 2491 1 11 . 1 1 25 25 GLU H H 25 8.076 8.076 7.798 0.278 17897 2492 1 11 . 1 1 26 26 VAL N N 26 109.651 109.651 111.097 -1.446 17897 2493 1 11 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.501 0.392 17897 2494 1 11 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.206 -0.086 17897 2495 1 11 . 1 1 26 26 VAL H H 26 8.037 8.037 7.265 0.772 17897 2496 1 11 . 1 1 27 27 SER N N 27 114.367 114.367 116.497 -2.130 17897 2497 1 11 . 1 1 27 27 SER CB C 27 63.110 63.110 62.812 0.298 17897 2498 1 11 . 1 1 27 27 SER H H 27 8.694 8.694 8.680 0.014 17897 2499 1 11 . 1 1 28 28 ARG N N 28 115.247 115.247 121.435 -6.188 17897 2500 1 11 . 1 1 28 28 ARG HA H 28 3.779 3.779 4.005 -0.226 17897 2501 1 11 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.253 2.430 17897 2502 1 11 . 1 1 28 28 ARG CB C 28 29.889 29.889 28.775 1.114 17897 2503 1 11 . 1 1 28 28 ARG H H 28 8.301 8.301 8.462 -0.161 17897 2504 1 11 . 1 1 29 29 GLN N N 29 117.269 117.269 118.329 -1.060 17897 2505 1 11 . 1 1 29 29 GLN HA H 29 4.237 4.237 3.955 0.282 17897 2506 1 11 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.550 0.463 17897 2507 1 11 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.331 0.067 17897 2508 1 11 . 1 1 29 29 GLN H H 29 8.882 8.882 8.596 0.286 17897 2509 1 11 . 1 1 30 30 THR N N 30 119.977 119.977 113.602 6.375 17897 2510 1 11 . 1 1 30 30 THR HA H 30 4.601 4.601 4.096 0.505 17897 2511 1 11 . 1 1 30 30 THR CA C 30 68.731 68.731 65.342 3.389 17897 2512 1 11 . 1 1 30 30 THR CB C 30 67.567 67.567 68.270 -0.703 17897 2513 1 11 . 1 1 30 30 THR H H 30 8.203 8.203 7.894 0.309 17897 2514 1 11 . 1 1 31 31 ILE N N 31 118.714 118.714 123.018 -4.304 17897 2515 1 11 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.658 0.127 17897 2516 1 11 . 1 1 31 31 ILE CA C 31 62.155 62.155 65.397 -3.242 17897 2517 1 11 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.597 -1.771 17897 2518 1 11 . 1 1 31 31 ILE H H 31 7.197 7.197 7.331 -0.134 17897 2519 1 11 . 1 1 32 32 ASN N N 32 118.007 118.007 118.572 -0.565 17897 2520 1 11 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.410 -0.064 17897 2521 1 11 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.874 1.184 17897 2522 1 11 . 1 1 32 32 ASN CB C 32 40.054 40.054 37.818 2.236 17897 2523 1 11 . 1 1 32 32 ASN H H 32 8.730 8.730 9.185 -0.455 17897 2524 1 11 . 1 1 33 33 GLY N N 33 124.914 124.914 108.046 16.868 17897 2525 1 11 . 1 1 33 33 GLY H H 33 8.713 8.713 7.689 1.024 17897 2526 1 11 . 1 1 34 34 ILE N N 34 122.110 122.110 123.108 -0.998 17897 2527 1 11 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.852 0.499 17897 2528 1 11 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.276 2.167 17897 2529 1 11 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.104 2.082 17897 2530 1 11 . 1 1 34 34 ILE H H 34 8.246 8.246 7.721 0.525 17897 2531 1 11 . 1 1 35 35 GLU N N 35 120.672 120.672 118.792 1.880 17897 2532 1 11 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.167 0.160 17897 2533 1 11 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.366 1.323 17897 2534 1 11 . 1 1 35 35 GLU H H 35 8.684 8.684 8.632 0.052 17897 2535 1 11 . 1 1 36 36 LYS N N 36 115.941 115.941 116.684 -0.743 17897 2536 1 11 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.284 0.328 17897 2537 1 11 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.660 -2.359 17897 2538 1 11 . 1 1 36 36 LYS H H 36 8.152 8.152 8.532 -0.380 17897 2539 1 11 . 1 1 37 37 ASN N N 37 114.474 114.474 118.577 -4.103 17897 2540 1 11 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.566 0.332 17897 2541 1 11 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.930 0.130 17897 2542 1 11 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.750 -0.974 17897 2543 1 11 . 1 1 37 37 ASN H H 37 8.263 8.263 8.760 -0.497 17897 2544 1 11 . 1 1 38 38 LYS N N 38 115.022 115.022 118.554 -3.532 17897 2545 1 11 . 1 1 38 38 LYS HA H 38 4.480 4.480 3.975 0.505 17897 2546 1 11 . 1 1 38 38 LYS CA C 38 56.844 56.844 58.502 -1.658 17897 2547 1 11 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.011 1.020 17897 2548 1 11 . 1 1 38 38 LYS H H 38 8.789 8.789 7.568 1.221 17897 2549 1 11 . 1 1 39 39 TYR N N 39 116.894 116.894 117.251 -0.357 17897 2550 1 11 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.735 -0.040 17897 2551 1 11 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.035 0.288 17897 2552 1 11 . 1 1 39 39 TYR H H 39 7.120 7.120 7.729 -0.609 17897 2553 1 11 . 1 1 40 40 ASN N N 40 123.571 123.571 117.413 6.158 17897 2554 1 11 . 1 1 40 40 ASN H H 40 8.925 8.925 8.684 0.241 17897 2555 1 11 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.355 -0.500 17897 2556 1 11 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.632 -0.060 17897 2557 1 11 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.098 0.363 17897 2558 1 11 . 1 1 42 42 SER N N 42 125.757 125.757 119.099 6.658 17897 2559 1 11 . 1 1 42 42 SER HA H 42 4.596 4.596 4.287 0.309 17897 2560 1 11 . 1 1 42 42 SER CA C 42 58.235 58.235 59.358 -1.123 17897 2561 1 11 . 1 1 42 42 SER H H 42 8.113 8.113 8.451 -0.338 17897 2562 1 11 . 1 1 43 43 LEU N N 43 120.595 120.595 126.598 -6.003 17897 2563 1 11 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.944 0.083 17897 2564 1 11 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.598 0.483 17897 2565 1 11 . 1 1 43 43 LEU H H 43 9.354 9.354 8.860 0.494 17897 2566 1 11 . 1 1 44 44 GLN N N 44 116.009 116.009 117.600 -1.591 17897 2567 1 11 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.037 -0.280 17897 2568 1 11 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.090 1.650 17897 2569 1 11 . 1 1 44 44 GLN H H 44 8.964 8.964 8.636 0.328 17897 2570 1 11 . 1 1 45 45 LEU N N 45 119.443 119.443 119.847 -0.404 17897 2571 1 11 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.104 -0.459 17897 2572 1 11 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.472 -2.773 17897 2573 1 11 . 1 1 45 45 LEU H H 45 8.167 8.167 7.717 0.450 17897 2574 1 11 . 1 1 46 46 ALA N N 46 120.477 120.477 123.569 -3.092 17897 2575 1 11 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.007 0.022 17897 2576 1 11 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.396 1.089 17897 2577 1 11 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.176 2.477 17897 2578 1 11 . 1 1 46 46 ALA H H 46 8.559 8.559 8.898 -0.339 17897 2579 1 11 . 1 1 47 47 LEU N N 47 116.564 116.564 118.836 -2.272 17897 2580 1 11 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.919 0.263 17897 2581 1 11 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.013 0.388 17897 2582 1 11 . 1 1 47 47 LEU H H 47 8.787 8.787 9.013 -0.226 17897 2583 1 11 . 1 1 48 48 LYS N N 48 121.007 121.007 118.364 2.643 17897 2584 1 11 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.043 -0.323 17897 2585 1 11 . 1 1 48 48 LYS CA C 48 60.739 60.739 58.221 2.518 17897 2586 1 11 . 1 1 48 48 LYS H H 48 8.106 8.106 7.252 0.854 17897 2587 1 11 . 1 1 49 49 ILE N N 49 120.417 120.417 118.599 1.818 17897 2588 1 11 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.944 -0.270 17897 2589 1 11 . 1 1 49 49 ILE CA C 49 67.644 67.644 64.458 3.186 17897 2590 1 11 . 1 1 49 49 ILE H H 49 8.831 8.831 8.361 0.470 17897 2591 1 11 . 1 1 50 50 ALA N N 50 120.372 120.372 122.099 -1.727 17897 2592 1 11 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.883 0.213 17897 2593 1 11 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.696 1.516 17897 2594 1 11 . 1 1 50 50 ALA CB C 50 18.830 18.830 18.583 0.247 17897 2595 1 11 . 1 1 50 50 ALA H H 50 8.235 8.235 8.611 -0.376 17897 2596 1 11 . 1 1 51 51 TYR N N 51 116.980 116.980 113.822 3.158 17897 2597 1 11 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.020 0.335 17897 2598 1 11 . 1 1 51 51 TYR CA C 51 62.332 62.332 59.239 3.093 17897 2599 1 11 . 1 1 51 51 TYR H H 51 8.209 8.209 7.722 0.487 17897 2600 1 11 . 1 1 52 52 TYR N N 52 118.569 118.569 112.489 6.080 17897 2601 1 11 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.234 0.089 17897 2602 1 11 . 1 1 52 52 TYR CA C 52 63.976 63.976 58.139 5.837 17897 2603 1 11 . 1 1 52 52 TYR H H 52 9.129 9.129 7.542 1.587 17897 2604 1 11 . 1 1 53 53 LEU N N 53 115.377 115.377 123.411 -8.034 17897 2605 1 11 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.125 0.462 17897 2606 1 11 . 1 1 53 53 LEU CA C 53 54.973 54.973 55.779 -0.805 17897 2607 1 11 . 1 1 53 53 LEU H H 53 8.475 8.475 8.514 -0.039 17897 2608 1 11 . 1 1 54 54 ASN N N 54 122.061 122.061 114.559 7.502 17897 2609 1 11 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.394 0.128 17897 2610 1 11 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.710 -0.142 17897 2611 1 11 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.533 0.952 17897 2612 1 11 . 1 1 54 54 ASN H H 54 8.121 8.121 9.166 -1.045 17897 2613 1 11 . 1 1 55 55 THR N N 55 114.942 114.942 111.943 2.999 17897 2614 1 11 . 1 1 55 55 THR HA H 55 5.060 5.060 4.737 0.323 17897 2615 1 11 . 1 1 55 55 THR CA C 55 61.017 61.017 60.919 0.098 17897 2616 1 11 . 1 1 55 55 THR CB C 55 75.522 75.522 72.066 3.456 17897 2617 1 11 . 1 1 55 55 THR H H 55 8.315 8.315 8.116 0.199 17897 2618 1 11 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.772 -0.164 17897 2619 1 11 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.376 0.982 17897 2620 1 11 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.063 0.146 17897 2621 1 11 . 1 1 57 57 LEU CA C 57 60.622 60.622 59.041 1.581 17897 2622 1 11 . 1 1 58 58 GLU N N 58 123.065 123.065 118.845 4.220 17897 2623 1 11 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.316 0.596 17897 2624 1 11 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.564 -0.039 17897 2625 1 11 . 1 1 58 58 GLU H H 58 9.418 9.418 8.630 0.788 17897 2626 1 11 . 1 1 59 59 ASP N N 59 117.640 117.640 119.200 -1.560 17897 2627 1 11 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.534 0.044 17897 2628 1 11 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.891 0.089 17897 2629 1 11 . 1 1 59 59 ASP H H 59 8.073 8.073 8.445 -0.372 17897 2630 1 11 . 1 1 60 60 ILE N N 60 119.506 119.506 118.542 0.964 17897 2631 1 11 . 1 1 60 60 ILE H H 60 8.276 8.276 7.488 0.788 17897 2632 1 11 . 1 1 61 61 PHE N N 61 115.913 115.913 115.044 0.869 17897 2633 1 11 . 1 1 61 61 PHE H H 61 8.567 8.567 7.353 1.214 17897 2634 1 11 . 1 1 63 63 TRP N N 63 125.522 125.522 123.003 2.519 17897 2635 1 11 . 1 1 63 63 TRP H H 63 9.524 9.524 8.696 0.828 17897 2636 1 11 . 1 1 64 64 GLN N N 64 127.251 127.251 122.021 5.230 17897 2637 1 11 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.050 3.522 17897 2638 1 11 . 1 1 64 64 GLN H H 64 8.048 8.048 7.632 0.416 17897 2639 1 11 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.150 0.447 17897 2640 1 11 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.099 -1.070 17897 2641 1 12 . 1 1 2 2 ILE N N 2 122.866 122.866 120.659 2.207 17897 2642 1 12 . 1 1 2 2 ILE CB C 2 39.823 39.823 35.437 4.386 17897 2643 1 12 . 1 1 2 2 ILE H H 2 9.234 9.234 8.535 0.699 17897 2644 1 12 . 1 1 3 3 ILE HA H 3 4.480 4.480 3.933 0.547 17897 2645 1 12 . 1 1 3 3 ILE CA C 3 60.663 60.663 63.534 -2.871 17897 2646 1 12 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.890 1.665 17897 2647 1 12 . 1 1 4 4 ASN N N 4 124.006 124.006 119.825 4.181 17897 2648 1 12 . 1 1 4 4 ASN H H 4 9.158 9.158 8.433 0.725 17897 2649 1 12 . 1 1 6 6 LEU N N 6 120.561 120.561 126.384 -5.823 17897 2650 1 12 . 1 1 6 6 LEU HA H 6 3.779 3.779 3.921 -0.142 17897 2651 1 12 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.193 2.406 17897 2652 1 12 . 1 1 6 6 LEU H H 6 8.637 8.637 8.816 -0.179 17897 2653 1 12 . 1 1 7 7 LYS N N 7 118.177 118.177 119.678 -1.501 17897 2654 1 12 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.989 -0.018 17897 2655 1 12 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.526 1.794 17897 2656 1 12 . 1 1 7 7 LYS CB C 7 32.434 32.434 32.066 0.367 17897 2657 1 12 . 1 1 7 7 LYS H H 7 9.010 9.010 9.004 0.006 17897 2658 1 12 . 1 1 8 8 LEU N N 8 116.280 116.280 120.127 -3.847 17897 2659 1 12 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.096 0.066 17897 2660 1 12 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.514 0.776 17897 2661 1 12 . 1 1 8 8 LEU CB C 8 42.759 42.759 42.024 0.735 17897 2662 1 12 . 1 1 8 8 LEU H H 8 7.762 7.762 7.923 -0.161 17897 2663 1 12 . 1 1 9 9 ILE N N 9 119.178 119.178 119.244 -0.066 17897 2664 1 12 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.703 0.161 17897 2665 1 12 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.115 0.786 17897 2666 1 12 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.106 1.578 17897 2667 1 12 . 1 1 9 9 ILE H H 9 8.277 8.277 8.703 -0.426 17897 2668 1 12 . 1 1 10 10 ARG N N 10 120.083 120.083 120.026 0.057 17897 2669 1 12 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.877 0.001 17897 2670 1 12 . 1 1 10 10 ARG CA C 10 61.826 61.826 59.958 1.868 17897 2671 1 12 . 1 1 10 10 ARG H H 10 9.313 9.313 7.845 1.468 17897 2672 1 12 . 1 1 11 11 GLU N N 11 115.851 115.851 119.121 -3.270 17897 2673 1 12 . 1 1 11 11 GLU HA H 11 4.239 4.239 3.955 0.284 17897 2674 1 12 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.549 0.737 17897 2675 1 12 . 1 1 11 11 GLU H H 11 8.760 8.760 8.297 0.463 17897 2676 1 12 . 1 1 12 12 LYS N N 12 122.969 122.969 119.273 3.696 17897 2677 1 12 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.046 0.215 17897 2678 1 12 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.980 1.237 17897 2679 1 12 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.409 0.489 17897 2680 1 12 . 1 1 12 12 LYS H H 12 8.300 8.300 7.892 0.408 17897 2681 1 12 . 1 1 13 13 LYS N N 13 116.249 116.249 116.735 -0.486 17897 2682 1 12 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.252 0.061 17897 2683 1 12 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.581 0.265 17897 2684 1 12 . 1 1 13 13 LYS CB C 13 31.753 31.753 33.108 -1.355 17897 2685 1 12 . 1 1 13 13 LYS H H 13 7.807 7.807 7.834 -0.027 17897 2686 1 12 . 1 1 14 14 LYS N N 14 115.342 115.342 118.027 -2.685 17897 2687 1 12 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.978 0.105 17897 2688 1 12 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.243 0.811 17897 2689 1 12 . 1 1 14 14 LYS H H 14 8.128 8.128 8.200 -0.072 17897 2690 1 12 . 1 1 15 15 ILE N N 15 118.385 118.385 112.643 5.742 17897 2691 1 12 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.639 -0.033 17897 2692 1 12 . 1 1 15 15 ILE CA C 15 59.803 59.803 58.944 0.859 17897 2693 1 12 . 1 1 15 15 ILE H H 15 7.601 7.601 7.438 0.163 17897 2694 1 12 . 1 1 16 16 SER N N 16 125.109 125.109 120.138 4.971 17897 2695 1 12 . 1 1 16 16 SER HA H 16 4.582 4.582 4.674 -0.092 17897 2696 1 12 . 1 1 16 16 SER CA C 16 57.628 57.628 56.900 0.728 17897 2697 1 12 . 1 1 16 16 SER H H 16 9.528 9.528 8.726 0.802 17897 2698 1 12 . 1 1 17 17 GLN N N 17 120.159 120.159 122.161 -2.002 17897 2699 1 12 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.962 -0.079 17897 2700 1 12 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.882 2.729 17897 2701 1 12 . 1 1 17 17 GLN H H 17 9.587 9.587 9.002 0.585 17897 2702 1 12 . 1 1 18 18 SER N N 18 113.031 113.031 115.115 -2.084 17897 2703 1 12 . 1 1 18 18 SER H H 18 9.072 9.072 8.440 0.632 17897 2704 1 12 . 1 1 19 19 GLU N N 19 124.022 124.022 122.779 1.243 17897 2705 1 12 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.048 0.169 17897 2706 1 12 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.528 0.169 17897 2707 1 12 . 1 1 19 19 GLU H H 19 8.409 8.409 7.590 0.819 17897 2708 1 12 . 1 1 20 20 LEU N N 20 119.979 119.979 120.189 -0.210 17897 2709 1 12 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.918 0.198 17897 2710 1 12 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.931 0.464 17897 2711 1 12 . 1 1 20 20 LEU H H 20 8.381 8.381 8.222 0.159 17897 2712 1 12 . 1 1 21 21 ALA N N 21 119.822 119.822 120.947 -1.125 17897 2713 1 12 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.024 -0.409 17897 2714 1 12 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.845 -0.102 17897 2715 1 12 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.140 -0.466 17897 2716 1 12 . 1 1 21 21 ALA H H 21 8.670 8.670 8.725 -0.055 17897 2717 1 12 . 1 1 22 22 ALA N N 22 117.186 117.186 121.337 -4.151 17897 2718 1 12 . 1 1 22 22 ALA HA H 22 4.306 4.306 3.980 0.326 17897 2719 1 12 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.508 1.024 17897 2720 1 12 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.525 -0.056 17897 2721 1 12 . 1 1 22 22 ALA H H 22 7.869 7.869 8.174 -0.305 17897 2722 1 12 . 1 1 23 23 LEU N N 23 118.476 118.476 117.720 0.756 17897 2723 1 12 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.822 0.267 17897 2724 1 12 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.961 1.166 17897 2725 1 12 . 1 1 23 23 LEU H H 23 7.581 7.581 7.966 -0.385 17897 2726 1 12 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.155 0.157 17897 2727 1 12 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.392 0.308 17897 2728 1 12 . 1 1 25 25 GLU N N 25 114.844 114.844 115.323 -0.479 17897 2729 1 12 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.959 0.125 17897 2730 1 12 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.297 0.936 17897 2731 1 12 . 1 1 25 25 GLU H H 25 8.076 8.076 7.838 0.238 17897 2732 1 12 . 1 1 26 26 VAL N N 26 109.651 109.651 111.119 -1.468 17897 2733 1 12 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.462 0.431 17897 2734 1 12 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.206 -0.086 17897 2735 1 12 . 1 1 26 26 VAL H H 26 8.037 8.037 7.104 0.933 17897 2736 1 12 . 1 1 27 27 SER N N 27 114.367 114.367 117.666 -3.299 17897 2737 1 12 . 1 1 27 27 SER CB C 27 63.110 63.110 62.894 0.216 17897 2738 1 12 . 1 1 27 27 SER H H 27 8.694 8.694 8.756 -0.062 17897 2739 1 12 . 1 1 28 28 ARG N N 28 115.247 115.247 123.503 -8.256 17897 2740 1 12 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.994 -0.215 17897 2741 1 12 . 1 1 28 28 ARG CA C 28 60.683 60.683 59.305 1.378 17897 2742 1 12 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.307 0.582 17897 2743 1 12 . 1 1 28 28 ARG H H 28 8.301 8.301 8.286 0.015 17897 2744 1 12 . 1 1 29 29 GLN N N 29 117.269 117.269 116.776 0.493 17897 2745 1 12 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.009 0.228 17897 2746 1 12 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.908 1.105 17897 2747 1 12 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.426 -0.028 17897 2748 1 12 . 1 1 29 29 GLN H H 29 8.882 8.882 7.844 1.038 17897 2749 1 12 . 1 1 30 30 THR N N 30 119.977 119.977 113.660 6.317 17897 2750 1 12 . 1 1 30 30 THR HA H 30 4.601 4.601 4.146 0.455 17897 2751 1 12 . 1 1 30 30 THR CA C 30 68.731 68.731 65.192 3.539 17897 2752 1 12 . 1 1 30 30 THR CB C 30 67.567 67.567 68.760 -1.193 17897 2753 1 12 . 1 1 30 30 THR H H 30 8.203 8.203 7.889 0.314 17897 2754 1 12 . 1 1 31 31 ILE N N 31 118.714 118.714 118.658 0.056 17897 2755 1 12 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.065 -0.280 17897 2756 1 12 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.411 -1.256 17897 2757 1 12 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.319 -1.493 17897 2758 1 12 . 1 1 31 31 ILE H H 31 7.197 7.197 7.910 -0.713 17897 2759 1 12 . 1 1 32 32 ASN N N 32 118.007 118.007 120.197 -2.190 17897 2760 1 12 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.423 -0.077 17897 2761 1 12 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.742 1.316 17897 2762 1 12 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.377 1.677 17897 2763 1 12 . 1 1 32 32 ASN H H 32 8.730 8.730 8.875 -0.145 17897 2764 1 12 . 1 1 33 33 GLY N N 33 124.914 124.914 108.723 16.191 17897 2765 1 12 . 1 1 33 33 GLY H H 33 8.713 8.713 7.669 1.044 17897 2766 1 12 . 1 1 34 34 ILE N N 34 122.110 122.110 121.953 0.157 17897 2767 1 12 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.836 0.515 17897 2768 1 12 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.646 1.797 17897 2769 1 12 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.098 1.088 17897 2770 1 12 . 1 1 34 34 ILE H H 34 8.246 8.246 7.701 0.545 17897 2771 1 12 . 1 1 35 35 GLU N N 35 120.672 120.672 120.003 0.669 17897 2772 1 12 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.145 0.182 17897 2773 1 12 . 1 1 35 35 GLU CA C 35 60.689 60.689 60.031 0.658 17897 2774 1 12 . 1 1 35 35 GLU H H 35 8.684 8.684 8.527 0.157 17897 2775 1 12 . 1 1 36 36 LYS N N 36 115.941 115.941 115.157 0.784 17897 2776 1 12 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.494 0.118 17897 2777 1 12 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.266 -1.965 17897 2778 1 12 . 1 1 36 36 LYS H H 36 8.152 8.152 7.526 0.626 17897 2779 1 12 . 1 1 37 37 ASN N N 37 114.474 114.474 117.610 -3.136 17897 2780 1 12 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.507 0.391 17897 2781 1 12 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.624 0.436 17897 2782 1 12 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.879 -1.103 17897 2783 1 12 . 1 1 37 37 ASN H H 37 8.263 8.263 7.744 0.519 17897 2784 1 12 . 1 1 38 38 LYS N N 38 115.022 115.022 117.731 -2.709 17897 2785 1 12 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.071 0.409 17897 2786 1 12 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.513 -0.669 17897 2787 1 12 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.527 0.504 17897 2788 1 12 . 1 1 38 38 LYS H H 38 8.789 8.789 7.667 1.122 17897 2789 1 12 . 1 1 39 39 TYR N N 39 116.894 116.894 117.220 -0.326 17897 2790 1 12 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.649 0.046 17897 2791 1 12 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.214 0.110 17897 2792 1 12 . 1 1 39 39 TYR H H 39 7.120 7.120 8.285 -1.165 17897 2793 1 12 . 1 1 40 40 ASN N N 40 123.571 123.571 120.456 3.115 17897 2794 1 12 . 1 1 40 40 ASN H H 40 8.925 8.925 8.696 0.229 17897 2795 1 12 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.406 -0.551 17897 2796 1 12 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.714 -0.142 17897 2797 1 12 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.797 0.664 17897 2798 1 12 . 1 1 42 42 SER N N 42 125.757 125.757 118.537 7.220 17897 2799 1 12 . 1 1 42 42 SER HA H 42 4.596 4.596 4.482 0.114 17897 2800 1 12 . 1 1 42 42 SER CA C 42 58.235 58.235 58.644 -0.409 17897 2801 1 12 . 1 1 42 42 SER H H 42 8.113 8.113 8.559 -0.446 17897 2802 1 12 . 1 1 43 43 LEU N N 43 120.595 120.595 125.698 -5.103 17897 2803 1 12 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.929 0.098 17897 2804 1 12 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.823 0.258 17897 2805 1 12 . 1 1 43 43 LEU H H 43 9.354 9.354 8.860 0.494 17897 2806 1 12 . 1 1 44 44 GLN N N 44 116.009 116.009 118.615 -2.606 17897 2807 1 12 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.119 -0.362 17897 2808 1 12 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.573 2.167 17897 2809 1 12 . 1 1 44 44 GLN H H 44 8.964 8.964 8.719 0.245 17897 2810 1 12 . 1 1 45 45 LEU N N 45 119.443 119.443 120.950 -1.507 17897 2811 1 12 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.083 -0.438 17897 2812 1 12 . 1 1 45 45 LEU CA C 45 54.699 54.699 56.770 -2.071 17897 2813 1 12 . 1 1 45 45 LEU H H 45 8.167 8.167 7.903 0.264 17897 2814 1 12 . 1 1 46 46 ALA N N 46 120.477 120.477 122.448 -1.971 17897 2815 1 12 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.053 -0.024 17897 2816 1 12 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.936 1.549 17897 2817 1 12 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.095 2.558 17897 2818 1 12 . 1 1 46 46 ALA H H 46 8.559 8.559 8.184 0.375 17897 2819 1 12 . 1 1 47 47 LEU N N 47 116.564 116.564 118.950 -2.386 17897 2820 1 12 . 1 1 47 47 LEU HA H 47 4.182 4.182 4.005 0.177 17897 2821 1 12 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.305 0.096 17897 2822 1 12 . 1 1 47 47 LEU H H 47 8.787 8.787 8.117 0.670 17897 2823 1 12 . 1 1 48 48 LYS N N 48 121.007 121.007 118.693 2.314 17897 2824 1 12 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.233 -0.513 17897 2825 1 12 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.351 1.388 17897 2826 1 12 . 1 1 48 48 LYS H H 48 8.106 8.106 7.522 0.584 17897 2827 1 12 . 1 1 49 49 ILE N N 49 120.417 120.417 121.284 -0.867 17897 2828 1 12 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.795 -0.121 17897 2829 1 12 . 1 1 49 49 ILE CA C 49 67.644 67.644 64.988 2.656 17897 2830 1 12 . 1 1 49 49 ILE H H 49 8.831 8.831 7.381 1.450 17897 2831 1 12 . 1 1 50 50 ALA N N 50 120.372 120.372 122.298 -1.926 17897 2832 1 12 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.950 0.146 17897 2833 1 12 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.039 1.173 17897 2834 1 12 . 1 1 50 50 ALA CB C 50 18.830 18.830 18.000 0.830 17897 2835 1 12 . 1 1 50 50 ALA H H 50 8.235 8.235 8.860 -0.625 17897 2836 1 12 . 1 1 51 51 TYR N N 51 116.980 116.980 116.862 0.118 17897 2837 1 12 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.126 0.229 17897 2838 1 12 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.804 0.528 17897 2839 1 12 . 1 1 51 51 TYR H H 51 8.209 8.209 7.669 0.540 17897 2840 1 12 . 1 1 52 52 TYR N N 52 118.569 118.569 115.224 3.345 17897 2841 1 12 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.393 -0.070 17897 2842 1 12 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.485 3.491 17897 2843 1 12 . 1 1 52 52 TYR H H 52 9.129 9.129 8.248 0.881 17897 2844 1 12 . 1 1 53 53 LEU N N 53 115.377 115.377 121.383 -6.006 17897 2845 1 12 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.285 0.302 17897 2846 1 12 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.539 0.434 17897 2847 1 12 . 1 1 53 53 LEU H H 53 8.475 8.475 8.918 -0.443 17897 2848 1 12 . 1 1 54 54 ASN N N 54 122.061 122.061 123.475 -1.414 17897 2849 1 12 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.589 -0.067 17897 2850 1 12 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.407 0.161 17897 2851 1 12 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.257 1.228 17897 2852 1 12 . 1 1 54 54 ASN H H 54 8.121 8.121 8.946 -0.825 17897 2853 1 12 . 1 1 55 55 THR N N 55 114.942 114.942 116.657 -1.715 17897 2854 1 12 . 1 1 55 55 THR HA H 55 5.060 5.060 4.563 0.497 17897 2855 1 12 . 1 1 55 55 THR CA C 55 61.017 61.017 60.295 0.722 17897 2856 1 12 . 1 1 55 55 THR CB C 55 75.522 75.522 71.195 4.327 17897 2857 1 12 . 1 1 55 55 THR H H 55 8.315 8.315 8.141 0.174 17897 2858 1 12 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.420 0.188 17897 2859 1 12 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.969 0.389 17897 2860 1 12 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.826 0.383 17897 2861 1 12 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.163 2.459 17897 2862 1 12 . 1 1 58 58 GLU N N 58 123.065 123.065 118.522 4.543 17897 2863 1 12 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.139 0.773 17897 2864 1 12 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.216 0.309 17897 2865 1 12 . 1 1 58 58 GLU H H 58 9.418 9.418 8.671 0.747 17897 2866 1 12 . 1 1 59 59 ASP N N 59 117.640 117.640 118.735 -1.095 17897 2867 1 12 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.249 0.329 17897 2868 1 12 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.570 0.410 17897 2869 1 12 . 1 1 59 59 ASP H H 59 8.073 8.073 7.477 0.596 17897 2870 1 12 . 1 1 60 60 ILE N N 60 119.506 119.506 119.730 -0.224 17897 2871 1 12 . 1 1 60 60 ILE H H 60 8.276 8.276 7.877 0.399 17897 2872 1 12 . 1 1 61 61 PHE N N 61 115.913 115.913 113.404 2.509 17897 2873 1 12 . 1 1 61 61 PHE H H 61 8.567 8.567 6.870 1.697 17897 2874 1 12 . 1 1 63 63 TRP N N 63 125.522 125.522 120.067 5.455 17897 2875 1 12 . 1 1 63 63 TRP H H 63 9.524 9.524 6.941 2.583 17897 2876 1 12 . 1 1 64 64 GLN N N 64 127.251 127.251 123.431 3.820 17897 2877 1 12 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.570 4.003 17897 2878 1 12 . 1 1 64 64 GLN H H 64 8.048 8.048 8.645 -0.597 17897 2879 1 12 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.402 0.195 17897 2880 1 12 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.964 -1.935 17897 2881 1 13 . 1 1 2 2 ILE N N 2 122.866 122.866 121.683 1.183 17897 2882 1 13 . 1 1 2 2 ILE CB C 2 39.823 39.823 41.184 -1.361 17897 2883 1 13 . 1 1 2 2 ILE H H 2 9.234 9.234 8.032 1.202 17897 2884 1 13 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.004 0.476 17897 2885 1 13 . 1 1 3 3 ILE CA C 3 60.663 60.663 61.893 -1.230 17897 2886 1 13 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.046 3.509 17897 2887 1 13 . 1 1 4 4 ASN N N 4 124.006 124.006 125.331 -1.325 17897 2888 1 13 . 1 1 4 4 ASN H H 4 9.158 9.158 8.739 0.419 17897 2889 1 13 . 1 1 6 6 LEU N N 6 120.561 120.561 121.530 -0.969 17897 2890 1 13 . 1 1 6 6 LEU HA H 6 3.779 3.779 3.982 -0.203 17897 2891 1 13 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.811 2.788 17897 2892 1 13 . 1 1 6 6 LEU H H 6 8.637 8.637 7.686 0.951 17897 2893 1 13 . 1 1 7 7 LYS N N 7 118.177 118.177 118.996 -0.819 17897 2894 1 13 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.980 -0.009 17897 2895 1 13 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.163 2.157 17897 2896 1 13 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.681 0.753 17897 2897 1 13 . 1 1 7 7 LYS H H 7 9.010 9.010 8.014 0.996 17897 2898 1 13 . 1 1 8 8 LEU N N 8 116.280 116.280 121.409 -5.129 17897 2899 1 13 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.090 0.072 17897 2900 1 13 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.456 0.834 17897 2901 1 13 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.763 1.996 17897 2902 1 13 . 1 1 8 8 LEU H H 8 7.762 7.762 7.741 0.021 17897 2903 1 13 . 1 1 9 9 ILE N N 9 119.178 119.178 117.645 1.533 17897 2904 1 13 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.627 0.237 17897 2905 1 13 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.144 0.757 17897 2906 1 13 . 1 1 9 9 ILE CB C 9 37.684 37.684 35.797 1.887 17897 2907 1 13 . 1 1 9 9 ILE H H 9 8.277 8.277 7.999 0.278 17897 2908 1 13 . 1 1 10 10 ARG N N 10 120.083 120.083 119.770 0.313 17897 2909 1 13 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.878 0.000 17897 2910 1 13 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.263 1.563 17897 2911 1 13 . 1 1 10 10 ARG H H 10 9.313 9.313 7.521 1.792 17897 2912 1 13 . 1 1 11 11 GLU N N 11 115.851 115.851 118.147 -2.296 17897 2913 1 13 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.135 0.104 17897 2914 1 13 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.694 1.592 17897 2915 1 13 . 1 1 11 11 GLU H H 11 8.760 8.760 8.801 -0.041 17897 2916 1 13 . 1 1 12 12 LYS N N 12 122.969 122.969 119.871 3.098 17897 2917 1 13 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.109 0.152 17897 2918 1 13 . 1 1 12 12 LYS CA C 12 60.217 60.217 57.959 2.258 17897 2919 1 13 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.506 0.392 17897 2920 1 13 . 1 1 12 12 LYS H H 12 8.300 8.300 7.362 0.938 17897 2921 1 13 . 1 1 13 13 LYS N N 13 116.249 116.249 117.520 -1.271 17897 2922 1 13 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.177 0.136 17897 2923 1 13 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.981 -0.135 17897 2924 1 13 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.894 -1.141 17897 2925 1 13 . 1 1 13 13 LYS H H 13 7.807 7.807 8.297 -0.490 17897 2926 1 13 . 1 1 14 14 LYS N N 14 115.342 115.342 116.602 -1.260 17897 2927 1 13 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.075 0.008 17897 2928 1 13 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.608 0.446 17897 2929 1 13 . 1 1 14 14 LYS H H 14 8.128 8.128 7.619 0.509 17897 2930 1 13 . 1 1 15 15 ILE N N 15 118.385 118.385 112.982 5.403 17897 2931 1 13 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.589 0.017 17897 2932 1 13 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.345 0.458 17897 2933 1 13 . 1 1 15 15 ILE H H 15 7.601 7.601 7.882 -0.281 17897 2934 1 13 . 1 1 16 16 SER N N 16 125.109 125.109 117.150 7.959 17897 2935 1 13 . 1 1 16 16 SER HA H 16 4.582 4.582 4.587 -0.005 17897 2936 1 13 . 1 1 16 16 SER CA C 16 57.628 57.628 57.096 0.532 17897 2937 1 13 . 1 1 16 16 SER H H 16 9.528 9.528 9.085 0.443 17897 2938 1 13 . 1 1 17 17 GLN N N 17 120.159 120.159 121.369 -1.210 17897 2939 1 13 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.001 -0.118 17897 2940 1 13 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.666 2.945 17897 2941 1 13 . 1 1 17 17 GLN H H 17 9.587 9.587 8.893 0.694 17897 2942 1 13 . 1 1 18 18 SER N N 18 113.031 113.031 113.748 -0.717 17897 2943 1 13 . 1 1 18 18 SER H H 18 9.072 9.072 8.411 0.661 17897 2944 1 13 . 1 1 19 19 GLU N N 19 124.022 124.022 122.063 1.959 17897 2945 1 13 . 1 1 19 19 GLU HA H 19 4.217 4.217 3.985 0.232 17897 2946 1 13 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.443 0.254 17897 2947 1 13 . 1 1 19 19 GLU H H 19 8.409 8.409 7.653 0.756 17897 2948 1 13 . 1 1 20 20 LEU N N 20 119.979 119.979 119.193 0.786 17897 2949 1 13 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.983 0.133 17897 2950 1 13 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.509 -0.114 17897 2951 1 13 . 1 1 20 20 LEU H H 20 8.381 8.381 7.553 0.828 17897 2952 1 13 . 1 1 21 21 ALA N N 21 119.822 119.822 120.822 -1.000 17897 2953 1 13 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.186 -0.571 17897 2954 1 13 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.498 0.245 17897 2955 1 13 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.226 -0.552 17897 2956 1 13 . 1 1 21 21 ALA H H 21 8.670 8.670 7.507 1.163 17897 2957 1 13 . 1 1 22 22 ALA N N 22 117.186 117.186 121.807 -4.621 17897 2958 1 13 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.008 0.298 17897 2959 1 13 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.598 0.934 17897 2960 1 13 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.610 -0.141 17897 2961 1 13 . 1 1 22 22 ALA H H 22 7.869 7.869 8.410 -0.541 17897 2962 1 13 . 1 1 23 23 LEU N N 23 118.476 118.476 117.985 0.491 17897 2963 1 13 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.941 0.148 17897 2964 1 13 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.486 1.641 17897 2965 1 13 . 1 1 23 23 LEU H H 23 7.581 7.581 7.884 -0.303 17897 2966 1 13 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.136 0.176 17897 2967 1 13 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.425 0.275 17897 2968 1 13 . 1 1 25 25 GLU N N 25 114.844 114.844 115.471 -0.627 17897 2969 1 13 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.993 0.091 17897 2970 1 13 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.518 0.715 17897 2971 1 13 . 1 1 25 25 GLU H H 25 8.076 8.076 7.830 0.246 17897 2972 1 13 . 1 1 26 26 VAL N N 26 109.651 109.651 111.914 -2.263 17897 2973 1 13 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.449 0.444 17897 2974 1 13 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.358 -0.238 17897 2975 1 13 . 1 1 26 26 VAL H H 26 8.037 8.037 7.364 0.673 17897 2976 1 13 . 1 1 27 27 SER N N 27 114.367 114.367 117.197 -2.830 17897 2977 1 13 . 1 1 27 27 SER CB C 27 63.110 63.110 62.967 0.143 17897 2978 1 13 . 1 1 27 27 SER H H 27 8.694 8.694 8.754 -0.060 17897 2979 1 13 . 1 1 28 28 ARG N N 28 115.247 115.247 122.555 -7.308 17897 2980 1 13 . 1 1 28 28 ARG HA H 28 3.779 3.779 4.061 -0.282 17897 2981 1 13 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.235 2.448 17897 2982 1 13 . 1 1 28 28 ARG CB C 28 29.889 29.889 28.888 1.001 17897 2983 1 13 . 1 1 28 28 ARG H H 28 8.301 8.301 8.243 0.058 17897 2984 1 13 . 1 1 29 29 GLN N N 29 117.269 117.269 118.503 -1.234 17897 2985 1 13 . 1 1 29 29 GLN HA H 29 4.237 4.237 3.948 0.289 17897 2986 1 13 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.240 0.773 17897 2987 1 13 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.331 0.067 17897 2988 1 13 . 1 1 29 29 GLN H H 29 8.882 8.882 8.526 0.356 17897 2989 1 13 . 1 1 30 30 THR N N 30 119.977 119.977 115.361 4.616 17897 2990 1 13 . 1 1 30 30 THR HA H 30 4.601 4.601 4.087 0.514 17897 2991 1 13 . 1 1 30 30 THR CA C 30 68.731 68.731 66.094 2.637 17897 2992 1 13 . 1 1 30 30 THR CB C 30 67.567 67.567 68.644 -1.077 17897 2993 1 13 . 1 1 30 30 THR H H 30 8.203 8.203 8.536 -0.333 17897 2994 1 13 . 1 1 31 31 ILE N N 31 118.714 118.714 116.618 2.096 17897 2995 1 13 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.025 -0.240 17897 2996 1 13 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.018 -0.863 17897 2997 1 13 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.267 -1.441 17897 2998 1 13 . 1 1 31 31 ILE H H 31 7.197 7.197 7.204 -0.007 17897 2999 1 13 . 1 1 32 32 ASN N N 32 118.007 118.007 120.208 -2.201 17897 3000 1 13 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.454 -0.108 17897 3001 1 13 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.725 1.333 17897 3002 1 13 . 1 1 32 32 ASN CB C 32 40.054 40.054 37.892 2.162 17897 3003 1 13 . 1 1 32 32 ASN H H 32 8.730 8.730 8.993 -0.263 17897 3004 1 13 . 1 1 33 33 GLY N N 33 124.914 124.914 107.880 17.034 17897 3005 1 13 . 1 1 33 33 GLY H H 33 8.713 8.713 7.736 0.977 17897 3006 1 13 . 1 1 34 34 ILE N N 34 122.110 122.110 122.141 -0.031 17897 3007 1 13 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.822 0.529 17897 3008 1 13 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.322 2.121 17897 3009 1 13 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.802 1.384 17897 3010 1 13 . 1 1 34 34 ILE H H 34 8.246 8.246 7.931 0.315 17897 3011 1 13 . 1 1 35 35 GLU N N 35 120.672 120.672 119.086 1.586 17897 3012 1 13 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.203 0.124 17897 3013 1 13 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.974 0.715 17897 3014 1 13 . 1 1 35 35 GLU H H 35 8.684 8.684 8.743 -0.059 17897 3015 1 13 . 1 1 36 36 LYS N N 36 115.941 115.941 116.447 -0.506 17897 3016 1 13 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.527 0.085 17897 3017 1 13 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.461 -2.159 17897 3018 1 13 . 1 1 36 36 LYS H H 36 8.152 8.152 7.546 0.606 17897 3019 1 13 . 1 1 37 37 ASN N N 37 114.474 114.474 117.721 -3.247 17897 3020 1 13 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.460 0.438 17897 3021 1 13 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.891 0.169 17897 3022 1 13 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.556 -0.780 17897 3023 1 13 . 1 1 37 37 ASN H H 37 8.263 8.263 7.551 0.712 17897 3024 1 13 . 1 1 38 38 LYS N N 38 115.022 115.022 118.100 -3.078 17897 3025 1 13 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.093 0.387 17897 3026 1 13 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.653 -0.809 17897 3027 1 13 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.220 0.811 17897 3028 1 13 . 1 1 38 38 LYS H H 38 8.789 8.789 7.752 1.037 17897 3029 1 13 . 1 1 39 39 TYR N N 39 116.894 116.894 117.388 -0.494 17897 3030 1 13 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.620 0.075 17897 3031 1 13 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.236 0.087 17897 3032 1 13 . 1 1 39 39 TYR H H 39 7.120 7.120 8.306 -1.186 17897 3033 1 13 . 1 1 40 40 ASN N N 40 123.571 123.571 119.963 3.608 17897 3034 1 13 . 1 1 40 40 ASN H H 40 8.925 8.925 8.777 0.148 17897 3035 1 13 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.437 -0.582 17897 3036 1 13 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.512 0.060 17897 3037 1 13 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.908 0.553 17897 3038 1 13 . 1 1 42 42 SER N N 42 125.757 125.757 117.477 8.280 17897 3039 1 13 . 1 1 42 42 SER HA H 42 4.596 4.596 4.482 0.114 17897 3040 1 13 . 1 1 42 42 SER CA C 42 58.235 58.235 58.357 -0.122 17897 3041 1 13 . 1 1 42 42 SER H H 42 8.113 8.113 8.437 -0.324 17897 3042 1 13 . 1 1 43 43 LEU N N 43 120.595 120.595 126.993 -6.398 17897 3043 1 13 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.944 0.083 17897 3044 1 13 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.378 -0.297 17897 3045 1 13 . 1 1 43 43 LEU H H 43 9.354 9.354 8.922 0.432 17897 3046 1 13 . 1 1 44 44 GLN N N 44 116.009 116.009 119.087 -3.078 17897 3047 1 13 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.114 -0.357 17897 3048 1 13 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.293 1.447 17897 3049 1 13 . 1 1 44 44 GLN H H 44 8.964 8.964 8.491 0.473 17897 3050 1 13 . 1 1 45 45 LEU N N 45 119.443 119.443 119.405 0.038 17897 3051 1 13 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.054 -0.409 17897 3052 1 13 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.651 -2.952 17897 3053 1 13 . 1 1 45 45 LEU H H 45 8.167 8.167 7.974 0.193 17897 3054 1 13 . 1 1 46 46 ALA N N 46 120.477 120.477 122.607 -2.130 17897 3055 1 13 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.013 0.016 17897 3056 1 13 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.207 1.278 17897 3057 1 13 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.121 2.532 17897 3058 1 13 . 1 1 46 46 ALA H H 46 8.559 8.559 8.687 -0.128 17897 3059 1 13 . 1 1 47 47 LEU N N 47 116.564 116.564 117.644 -1.080 17897 3060 1 13 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.884 0.298 17897 3061 1 13 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.106 0.295 17897 3062 1 13 . 1 1 47 47 LEU H H 47 8.787 8.787 8.812 -0.025 17897 3063 1 13 . 1 1 48 48 LYS N N 48 121.007 121.007 118.887 2.120 17897 3064 1 13 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.088 -0.368 17897 3065 1 13 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.536 1.203 17897 3066 1 13 . 1 1 48 48 LYS H H 48 8.106 8.106 7.428 0.678 17897 3067 1 13 . 1 1 49 49 ILE N N 49 120.417 120.417 115.378 5.039 17897 3068 1 13 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.150 -0.476 17897 3069 1 13 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.922 3.723 17897 3070 1 13 . 1 1 49 49 ILE H H 49 8.831 8.831 8.061 0.770 17897 3071 1 13 . 1 1 50 50 ALA N N 50 120.372 120.372 125.141 -4.769 17897 3072 1 13 . 1 1 50 50 ALA HA H 50 4.096 4.096 4.143 -0.047 17897 3073 1 13 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.943 1.269 17897 3074 1 13 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.973 0.857 17897 3075 1 13 . 1 1 50 50 ALA H H 50 8.235 8.235 8.846 -0.611 17897 3076 1 13 . 1 1 51 51 TYR N N 51 116.980 116.980 119.464 -2.484 17897 3077 1 13 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.097 0.258 17897 3078 1 13 . 1 1 51 51 TYR CA C 51 62.332 62.332 62.039 0.292 17897 3079 1 13 . 1 1 51 51 TYR H H 51 8.209 8.209 7.845 0.364 17897 3080 1 13 . 1 1 52 52 TYR N N 52 118.569 118.569 119.177 -0.608 17897 3081 1 13 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.123 0.200 17897 3082 1 13 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.674 3.302 17897 3083 1 13 . 1 1 52 52 TYR H H 52 9.129 9.129 7.726 1.403 17897 3084 1 13 . 1 1 53 53 LEU N N 53 115.377 115.377 120.979 -5.602 17897 3085 1 13 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.304 0.283 17897 3086 1 13 . 1 1 53 53 LEU CA C 53 54.973 54.973 53.615 1.358 17897 3087 1 13 . 1 1 53 53 LEU H H 53 8.475 8.475 9.293 -0.818 17897 3088 1 13 . 1 1 54 54 ASN N N 54 122.061 122.061 122.355 -0.294 17897 3089 1 13 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.652 -0.130 17897 3090 1 13 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.766 -0.198 17897 3091 1 13 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.684 0.800 17897 3092 1 13 . 1 1 54 54 ASN H H 54 8.121 8.121 8.147 -0.026 17897 3093 1 13 . 1 1 55 55 THR N N 55 114.942 114.942 120.721 -5.779 17897 3094 1 13 . 1 1 55 55 THR HA H 55 5.060 5.060 4.660 0.400 17897 3095 1 13 . 1 1 55 55 THR CA C 55 61.017 61.017 59.308 1.709 17897 3096 1 13 . 1 1 55 55 THR CB C 55 75.522 75.522 71.119 4.403 17897 3097 1 13 . 1 1 55 55 THR H H 55 8.315 8.315 7.937 0.378 17897 3098 1 13 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.500 0.108 17897 3099 1 13 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.941 0.417 17897 3100 1 13 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.011 0.198 17897 3101 1 13 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.605 2.017 17897 3102 1 13 . 1 1 58 58 GLU N N 58 123.065 123.065 119.020 4.045 17897 3103 1 13 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.186 0.726 17897 3104 1 13 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.577 -0.051 17897 3105 1 13 . 1 1 58 58 GLU H H 58 9.418 9.418 8.913 0.505 17897 3106 1 13 . 1 1 59 59 ASP N N 59 117.640 117.640 120.109 -2.469 17897 3107 1 13 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.545 0.033 17897 3108 1 13 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.785 0.195 17897 3109 1 13 . 1 1 59 59 ASP H H 59 8.073 8.073 8.470 -0.397 17897 3110 1 13 . 1 1 60 60 ILE N N 60 119.506 119.506 119.818 -0.312 17897 3111 1 13 . 1 1 60 60 ILE H H 60 8.276 8.276 7.671 0.605 17897 3112 1 13 . 1 1 61 61 PHE N N 61 115.913 115.913 118.824 -2.911 17897 3113 1 13 . 1 1 61 61 PHE H H 61 8.567 8.567 8.593 -0.026 17897 3114 1 13 . 1 1 63 63 TRP N N 63 125.522 125.522 121.371 4.151 17897 3115 1 13 . 1 1 63 63 TRP H H 63 9.524 9.524 8.138 1.386 17897 3116 1 13 . 1 1 64 64 GLN N N 64 127.251 127.251 120.719 6.532 17897 3117 1 13 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.510 2.063 17897 3118 1 13 . 1 1 64 64 GLN H H 64 8.048 8.048 8.132 -0.084 17897 3119 1 13 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.472 0.125 17897 3120 1 13 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.505 -1.476 17897 3121 1 14 . 1 1 2 2 ILE N N 2 122.866 122.866 119.955 2.911 17897 3122 1 14 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.167 1.656 17897 3123 1 14 . 1 1 2 2 ILE H H 2 9.234 9.234 8.228 1.006 17897 3124 1 14 . 1 1 3 3 ILE HA H 3 4.480 4.480 3.917 0.563 17897 3125 1 14 . 1 1 3 3 ILE CA C 3 60.663 60.663 62.066 -1.403 17897 3126 1 14 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.353 2.202 17897 3127 1 14 . 1 1 4 4 ASN N N 4 124.006 124.006 118.745 5.261 17897 3128 1 14 . 1 1 4 4 ASN H H 4 9.158 9.158 8.397 0.761 17897 3129 1 14 . 1 1 6 6 LEU N N 6 120.561 120.561 120.426 0.135 17897 3130 1 14 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.040 -0.261 17897 3131 1 14 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.251 2.348 17897 3132 1 14 . 1 1 6 6 LEU H H 6 8.637 8.637 8.460 0.177 17897 3133 1 14 . 1 1 7 7 LYS N N 7 118.177 118.177 118.261 -0.084 17897 3134 1 14 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.056 -0.085 17897 3135 1 14 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.394 1.926 17897 3136 1 14 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.814 0.619 17897 3137 1 14 . 1 1 7 7 LYS H H 7 9.010 9.010 9.026 -0.016 17897 3138 1 14 . 1 1 8 8 LEU N N 8 116.280 116.280 120.491 -4.211 17897 3139 1 14 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.234 -0.072 17897 3140 1 14 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.432 0.858 17897 3141 1 14 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.785 0.974 17897 3142 1 14 . 1 1 8 8 LEU H H 8 7.762 7.762 7.636 0.126 17897 3143 1 14 . 1 1 9 9 ILE N N 9 119.178 119.178 119.022 0.156 17897 3144 1 14 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.674 0.190 17897 3145 1 14 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.263 0.638 17897 3146 1 14 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.436 1.248 17897 3147 1 14 . 1 1 9 9 ILE H H 9 8.277 8.277 8.428 -0.151 17897 3148 1 14 . 1 1 10 10 ARG N N 10 120.083 120.083 119.303 0.780 17897 3149 1 14 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.822 0.056 17897 3150 1 14 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.419 1.407 17897 3151 1 14 . 1 1 10 10 ARG H H 10 9.313 9.313 8.263 1.050 17897 3152 1 14 . 1 1 11 11 GLU N N 11 115.851 115.851 117.740 -1.889 17897 3153 1 14 . 1 1 11 11 GLU HA H 11 4.239 4.239 3.972 0.267 17897 3154 1 14 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.018 1.268 17897 3155 1 14 . 1 1 11 11 GLU H H 11 8.760 8.760 7.594 1.166 17897 3156 1 14 . 1 1 12 12 LYS N N 12 122.969 122.969 116.876 6.093 17897 3157 1 14 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.277 -0.016 17897 3158 1 14 . 1 1 12 12 LYS CA C 12 60.217 60.217 57.471 2.746 17897 3159 1 14 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.605 0.293 17897 3160 1 14 . 1 1 12 12 LYS H H 12 8.300 8.300 7.467 0.833 17897 3161 1 14 . 1 1 13 13 LYS N N 13 116.249 116.249 120.685 -4.436 17897 3162 1 14 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.292 0.021 17897 3163 1 14 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.626 0.220 17897 3164 1 14 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.027 -0.274 17897 3165 1 14 . 1 1 13 13 LYS H H 13 7.807 7.807 7.947 -0.140 17897 3166 1 14 . 1 1 14 14 LYS N N 14 115.342 115.342 114.645 0.697 17897 3167 1 14 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.958 0.125 17897 3168 1 14 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.200 0.854 17897 3169 1 14 . 1 1 14 14 LYS H H 14 8.128 8.128 7.985 0.143 17897 3170 1 14 . 1 1 15 15 ILE N N 15 118.385 118.385 113.735 4.650 17897 3171 1 14 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.484 0.122 17897 3172 1 14 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.216 0.587 17897 3173 1 14 . 1 1 15 15 ILE H H 15 7.601 7.601 7.355 0.246 17897 3174 1 14 . 1 1 16 16 SER N N 16 125.109 125.109 122.193 2.916 17897 3175 1 14 . 1 1 16 16 SER HA H 16 4.582 4.582 4.345 0.237 17897 3176 1 14 . 1 1 16 16 SER CA C 16 57.628 57.628 58.583 -0.955 17897 3177 1 14 . 1 1 16 16 SER H H 16 9.528 9.528 8.552 0.976 17897 3178 1 14 . 1 1 17 17 GLN N N 17 120.159 120.159 124.633 -4.474 17897 3179 1 14 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.073 -0.190 17897 3180 1 14 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.094 3.517 17897 3181 1 14 . 1 1 17 17 GLN H H 17 9.587 9.587 8.923 0.664 17897 3182 1 14 . 1 1 18 18 SER N N 18 113.031 113.031 115.185 -2.154 17897 3183 1 14 . 1 1 18 18 SER H H 18 9.072 9.072 8.512 0.560 17897 3184 1 14 . 1 1 19 19 GLU N N 19 124.022 124.022 121.986 2.036 17897 3185 1 14 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.071 0.146 17897 3186 1 14 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.356 0.341 17897 3187 1 14 . 1 1 19 19 GLU H H 19 8.409 8.409 8.716 -0.307 17897 3188 1 14 . 1 1 20 20 LEU N N 20 119.979 119.979 119.228 0.751 17897 3189 1 14 . 1 1 20 20 LEU HA H 20 4.116 4.116 4.018 0.098 17897 3190 1 14 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.819 0.576 17897 3191 1 14 . 1 1 20 20 LEU H H 20 8.381 8.381 7.553 0.828 17897 3192 1 14 . 1 1 21 21 ALA N N 21 119.822 119.822 120.665 -0.843 17897 3193 1 14 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.086 -0.471 17897 3194 1 14 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.609 0.134 17897 3195 1 14 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.268 -0.594 17897 3196 1 14 . 1 1 21 21 ALA H H 21 8.670 8.670 7.384 1.286 17897 3197 1 14 . 1 1 22 22 ALA N N 22 117.186 117.186 121.956 -4.770 17897 3198 1 14 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.054 0.252 17897 3199 1 14 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.621 0.911 17897 3200 1 14 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.343 0.126 17897 3201 1 14 . 1 1 22 22 ALA H H 22 7.869 7.869 8.618 -0.749 17897 3202 1 14 . 1 1 23 23 LEU N N 23 118.476 118.476 118.209 0.267 17897 3203 1 14 . 1 1 23 23 LEU HA H 23 4.089 4.089 4.023 0.066 17897 3204 1 14 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.421 0.706 17897 3205 1 14 . 1 1 23 23 LEU H H 23 7.581 7.581 7.958 -0.377 17897 3206 1 14 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.215 0.097 17897 3207 1 14 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.192 0.508 17897 3208 1 14 . 1 1 25 25 GLU N N 25 114.844 114.844 116.074 -1.230 17897 3209 1 14 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.979 0.105 17897 3210 1 14 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.356 0.877 17897 3211 1 14 . 1 1 25 25 GLU H H 25 8.076 8.076 7.991 0.085 17897 3212 1 14 . 1 1 26 26 VAL N N 26 109.651 109.651 111.385 -1.734 17897 3213 1 14 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.481 0.412 17897 3214 1 14 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.145 -0.025 17897 3215 1 14 . 1 1 26 26 VAL H H 26 8.037 8.037 7.166 0.871 17897 3216 1 14 . 1 1 27 27 SER N N 27 114.367 114.367 117.399 -3.032 17897 3217 1 14 . 1 1 27 27 SER CB C 27 63.110 63.110 62.793 0.317 17897 3218 1 14 . 1 1 27 27 SER H H 27 8.694 8.694 8.728 -0.034 17897 3219 1 14 . 1 1 28 28 ARG N N 28 115.247 115.247 121.361 -6.114 17897 3220 1 14 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.953 -0.174 17897 3221 1 14 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.441 2.242 17897 3222 1 14 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.087 0.802 17897 3223 1 14 . 1 1 28 28 ARG H H 28 8.301 8.301 8.350 -0.049 17897 3224 1 14 . 1 1 29 29 GLN N N 29 117.269 117.269 116.980 0.289 17897 3225 1 14 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.050 0.187 17897 3226 1 14 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.093 0.920 17897 3227 1 14 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.449 -0.051 17897 3228 1 14 . 1 1 29 29 GLN H H 29 8.882 8.882 8.687 0.195 17897 3229 1 14 . 1 1 30 30 THR N N 30 119.977 119.977 114.044 5.933 17897 3230 1 14 . 1 1 30 30 THR HA H 30 4.601 4.601 4.166 0.435 17897 3231 1 14 . 1 1 30 30 THR CA C 30 68.731 68.731 64.955 3.776 17897 3232 1 14 . 1 1 30 30 THR CB C 30 67.567 67.567 68.527 -0.960 17897 3233 1 14 . 1 1 30 30 THR H H 30 8.203 8.203 7.763 0.440 17897 3234 1 14 . 1 1 31 31 ILE N N 31 118.714 118.714 118.786 -0.072 17897 3235 1 14 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.930 -0.145 17897 3236 1 14 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.787 -1.632 17897 3237 1 14 . 1 1 31 31 ILE CB C 31 35.826 35.826 36.986 -1.159 17897 3238 1 14 . 1 1 31 31 ILE H H 31 7.197 7.197 8.039 -0.842 17897 3239 1 14 . 1 1 32 32 ASN N N 32 118.007 118.007 120.851 -2.844 17897 3240 1 14 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.598 -0.252 17897 3241 1 14 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.424 1.634 17897 3242 1 14 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.556 1.498 17897 3243 1 14 . 1 1 32 32 ASN H H 32 8.730 8.730 8.512 0.218 17897 3244 1 14 . 1 1 33 33 GLY N N 33 124.914 124.914 109.069 15.845 17897 3245 1 14 . 1 1 33 33 GLY H H 33 8.713 8.713 7.842 0.871 17897 3246 1 14 . 1 1 34 34 ILE N N 34 122.110 122.110 123.242 -1.132 17897 3247 1 14 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.840 0.511 17897 3248 1 14 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.306 2.138 17897 3249 1 14 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.186 2.000 17897 3250 1 14 . 1 1 34 34 ILE H H 34 8.246 8.246 7.202 1.044 17897 3251 1 14 . 1 1 35 35 GLU N N 35 120.672 120.672 120.047 0.625 17897 3252 1 14 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.044 0.283 17897 3253 1 14 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.732 0.957 17897 3254 1 14 . 1 1 35 35 GLU H H 35 8.684 8.684 8.803 -0.119 17897 3255 1 14 . 1 1 36 36 LYS N N 36 115.941 115.941 119.927 -3.986 17897 3256 1 14 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.034 0.578 17897 3257 1 14 . 1 1 36 36 LYS CA C 36 56.301 56.301 60.014 -3.713 17897 3258 1 14 . 1 1 36 36 LYS H H 36 8.152 8.152 8.489 -0.337 17897 3259 1 14 . 1 1 37 37 ASN N N 37 114.474 114.474 116.606 -2.132 17897 3260 1 14 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.614 0.284 17897 3261 1 14 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.680 0.380 17897 3262 1 14 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.943 -1.167 17897 3263 1 14 . 1 1 37 37 ASN H H 37 8.263 8.263 8.859 -0.596 17897 3264 1 14 . 1 1 38 38 LYS N N 38 115.022 115.022 119.647 -4.625 17897 3265 1 14 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.262 0.218 17897 3266 1 14 . 1 1 38 38 LYS CA C 38 56.844 56.844 56.642 0.202 17897 3267 1 14 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.845 1.186 17897 3268 1 14 . 1 1 38 38 LYS H H 38 8.789 8.789 7.844 0.945 17897 3269 1 14 . 1 1 39 39 TYR N N 39 116.894 116.894 119.579 -2.685 17897 3270 1 14 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.443 0.252 17897 3271 1 14 . 1 1 39 39 TYR CA C 39 56.323 56.323 58.541 -2.218 17897 3272 1 14 . 1 1 39 39 TYR H H 39 7.120 7.120 8.695 -1.575 17897 3273 1 14 . 1 1 40 40 ASN N N 40 123.571 123.571 116.474 7.097 17897 3274 1 14 . 1 1 40 40 ASN H H 40 8.925 8.925 8.556 0.369 17897 3275 1 14 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.501 -0.646 17897 3276 1 14 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.532 0.040 17897 3277 1 14 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.008 0.453 17897 3278 1 14 . 1 1 42 42 SER N N 42 125.757 125.757 119.793 5.964 17897 3279 1 14 . 1 1 42 42 SER HA H 42 4.596 4.596 4.456 0.140 17897 3280 1 14 . 1 1 42 42 SER CA C 42 58.235 58.235 58.614 -0.379 17897 3281 1 14 . 1 1 42 42 SER H H 42 8.113 8.113 9.369 -1.256 17897 3282 1 14 . 1 1 43 43 LEU N N 43 120.595 120.595 127.226 -6.631 17897 3283 1 14 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.974 0.053 17897 3284 1 14 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.202 -0.121 17897 3285 1 14 . 1 1 43 43 LEU H H 43 9.354 9.354 9.003 0.351 17897 3286 1 14 . 1 1 44 44 GLN N N 44 116.009 116.009 118.597 -2.588 17897 3287 1 14 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.093 -0.336 17897 3288 1 14 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.871 1.869 17897 3289 1 14 . 1 1 44 44 GLN H H 44 8.964 8.964 8.638 0.326 17897 3290 1 14 . 1 1 45 45 LEU N N 45 119.443 119.443 120.684 -1.241 17897 3291 1 14 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.100 -0.455 17897 3292 1 14 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.595 -2.896 17897 3293 1 14 . 1 1 45 45 LEU H H 45 8.167 8.167 7.685 0.482 17897 3294 1 14 . 1 1 46 46 ALA N N 46 120.477 120.477 121.704 -1.227 17897 3295 1 14 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.050 -0.021 17897 3296 1 14 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.994 1.491 17897 3297 1 14 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.572 2.081 17897 3298 1 14 . 1 1 46 46 ALA H H 46 8.559 8.559 8.775 -0.216 17897 3299 1 14 . 1 1 47 47 LEU N N 47 116.564 116.564 120.153 -3.589 17897 3300 1 14 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.970 0.212 17897 3301 1 14 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.153 0.248 17897 3302 1 14 . 1 1 47 47 LEU H H 47 8.787 8.787 8.831 -0.044 17897 3303 1 14 . 1 1 48 48 LYS N N 48 121.007 121.007 117.793 3.214 17897 3304 1 14 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.057 -0.337 17897 3305 1 14 . 1 1 48 48 LYS CA C 48 60.739 60.739 58.824 1.915 17897 3306 1 14 . 1 1 48 48 LYS H H 48 8.106 8.106 8.237 -0.131 17897 3307 1 14 . 1 1 49 49 ILE N N 49 120.417 120.417 117.948 2.469 17897 3308 1 14 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.025 -0.351 17897 3309 1 14 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.873 3.771 17897 3310 1 14 . 1 1 49 49 ILE H H 49 8.831 8.831 7.402 1.429 17897 3311 1 14 . 1 1 50 50 ALA N N 50 120.372 120.372 120.555 -0.183 17897 3312 1 14 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.958 0.138 17897 3313 1 14 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.503 1.709 17897 3314 1 14 . 1 1 50 50 ALA CB C 50 18.830 18.830 19.095 -0.265 17897 3315 1 14 . 1 1 50 50 ALA H H 50 8.235 8.235 8.338 -0.103 17897 3316 1 14 . 1 1 51 51 TYR N N 51 116.980 116.980 115.664 1.316 17897 3317 1 14 . 1 1 51 51 TYR HA H 51 4.355 4.355 3.890 0.465 17897 3318 1 14 . 1 1 51 51 TYR CA C 51 62.332 62.332 60.786 1.546 17897 3319 1 14 . 1 1 51 51 TYR H H 51 8.209 8.209 8.740 -0.531 17897 3320 1 14 . 1 1 52 52 TYR N N 52 118.569 118.569 120.229 -1.660 17897 3321 1 14 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.223 0.100 17897 3322 1 14 . 1 1 52 52 TYR CA C 52 63.976 63.976 59.131 4.845 17897 3323 1 14 . 1 1 52 52 TYR H H 52 9.129 9.129 6.177 2.952 17897 3324 1 14 . 1 1 53 53 LEU N N 53 115.377 115.377 118.000 -2.623 17897 3325 1 14 . 1 1 53 53 LEU HA H 53 4.587 4.587 3.623 0.964 17897 3326 1 14 . 1 1 53 53 LEU CA C 53 54.973 54.973 55.353 -0.380 17897 3327 1 14 . 1 1 53 53 LEU H H 53 8.475 8.475 8.088 0.387 17897 3328 1 14 . 1 1 54 54 ASN N N 54 122.061 122.061 113.348 8.713 17897 3329 1 14 . 1 1 54 54 ASN HA H 54 4.522 4.522 3.898 0.624 17897 3330 1 14 . 1 1 54 54 ASN CA C 54 54.568 54.568 53.794 0.774 17897 3331 1 14 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.794 0.691 17897 3332 1 14 . 1 1 54 54 ASN H H 54 8.121 8.121 7.149 0.972 17897 3333 1 14 . 1 1 55 55 THR N N 55 114.942 114.942 113.523 1.419 17897 3334 1 14 . 1 1 55 55 THR HA H 55 5.060 5.060 4.467 0.593 17897 3335 1 14 . 1 1 55 55 THR CA C 55 61.017 61.017 60.098 0.919 17897 3336 1 14 . 1 1 55 55 THR CB C 55 75.522 75.522 70.831 4.691 17897 3337 1 14 . 1 1 55 55 THR H H 55 8.315 8.315 7.325 0.990 17897 3338 1 14 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.485 0.123 17897 3339 1 14 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.343 1.015 17897 3340 1 14 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.005 0.204 17897 3341 1 14 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.216 2.406 17897 3342 1 14 . 1 1 58 58 GLU N N 58 123.065 123.065 118.722 4.343 17897 3343 1 14 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.032 0.880 17897 3344 1 14 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.201 0.324 17897 3345 1 14 . 1 1 58 58 GLU H H 58 9.418 9.418 8.702 0.716 17897 3346 1 14 . 1 1 59 59 ASP N N 59 117.640 117.640 118.796 -1.156 17897 3347 1 14 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.818 -0.240 17897 3348 1 14 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.710 0.270 17897 3349 1 14 . 1 1 59 59 ASP H H 59 8.073 8.073 8.309 -0.236 17897 3350 1 14 . 1 1 60 60 ILE N N 60 119.506 119.506 118.842 0.664 17897 3351 1 14 . 1 1 60 60 ILE H H 60 8.276 8.276 7.288 0.988 17897 3352 1 14 . 1 1 61 61 PHE N N 61 115.913 115.913 119.790 -3.877 17897 3353 1 14 . 1 1 61 61 PHE H H 61 8.567 8.567 8.505 0.062 17897 3354 1 14 . 1 1 63 63 TRP N N 63 125.522 125.522 120.088 5.434 17897 3355 1 14 . 1 1 63 63 TRP H H 63 9.524 9.524 7.550 1.974 17897 3356 1 14 . 1 1 64 64 GLN N N 64 127.251 127.251 116.701 10.550 17897 3357 1 14 . 1 1 64 64 GLN CB C 64 31.573 31.573 31.078 0.495 17897 3358 1 14 . 1 1 64 64 GLN H H 64 8.048 8.048 8.404 -0.356 17897 3359 1 14 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.442 0.155 17897 3360 1 14 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.280 -1.251 17897 3361 1 15 . 1 1 2 2 ILE N N 2 122.866 122.866 120.868 1.998 17897 3362 1 15 . 1 1 2 2 ILE CB C 2 39.823 39.823 35.135 4.688 17897 3363 1 15 . 1 1 2 2 ILE H H 2 9.234 9.234 8.276 0.958 17897 3364 1 15 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.194 0.286 17897 3365 1 15 . 1 1 3 3 ILE CA C 3 60.663 60.663 59.394 1.269 17897 3366 1 15 . 1 1 3 3 ILE CB C 3 39.555 39.555 40.018 -0.463 17897 3367 1 15 . 1 1 4 4 ASN N N 4 124.006 124.006 118.832 5.174 17897 3368 1 15 . 1 1 4 4 ASN H H 4 9.158 9.158 8.500 0.658 17897 3369 1 15 . 1 1 6 6 LEU N N 6 120.561 120.561 124.635 -4.074 17897 3370 1 15 . 1 1 6 6 LEU HA H 6 3.779 3.779 3.963 -0.184 17897 3371 1 15 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.587 2.012 17897 3372 1 15 . 1 1 6 6 LEU H H 6 8.637 8.637 8.470 0.167 17897 3373 1 15 . 1 1 7 7 LYS N N 7 118.177 118.177 117.081 1.096 17897 3374 1 15 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.981 -0.010 17897 3375 1 15 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.096 2.224 17897 3376 1 15 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.511 0.923 17897 3377 1 15 . 1 1 7 7 LYS H H 7 9.010 9.010 8.306 0.704 17897 3378 1 15 . 1 1 8 8 LEU N N 8 116.280 116.280 120.376 -4.096 17897 3379 1 15 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.098 0.064 17897 3380 1 15 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.252 1.038 17897 3381 1 15 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.774 0.985 17897 3382 1 15 . 1 1 8 8 LEU H H 8 7.762 7.762 7.244 0.518 17897 3383 1 15 . 1 1 9 9 ILE N N 9 119.178 119.178 117.651 1.527 17897 3384 1 15 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.679 0.185 17897 3385 1 15 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.422 0.479 17897 3386 1 15 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.136 1.548 17897 3387 1 15 . 1 1 9 9 ILE H H 9 8.277 8.277 8.528 -0.251 17897 3388 1 15 . 1 1 10 10 ARG N N 10 120.083 120.083 118.983 1.100 17897 3389 1 15 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.953 -0.075 17897 3390 1 15 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.428 1.397 17897 3391 1 15 . 1 1 10 10 ARG H H 10 9.313 9.313 7.581 1.732 17897 3392 1 15 . 1 1 11 11 GLU N N 11 115.851 115.851 119.514 -3.663 17897 3393 1 15 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.156 0.083 17897 3394 1 15 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.947 1.339 17897 3395 1 15 . 1 1 11 11 GLU H H 11 8.760 8.760 8.103 0.657 17897 3396 1 15 . 1 1 12 12 LYS N N 12 122.969 122.969 120.810 2.159 17897 3397 1 15 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.001 0.260 17897 3398 1 15 . 1 1 12 12 LYS CA C 12 60.217 60.217 59.145 1.072 17897 3399 1 15 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.584 0.313 17897 3400 1 15 . 1 1 12 12 LYS H H 12 8.300 8.300 8.131 0.169 17897 3401 1 15 . 1 1 13 13 LYS N N 13 116.249 116.249 116.946 -0.697 17897 3402 1 15 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.275 0.038 17897 3403 1 15 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.744 0.102 17897 3404 1 15 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.529 -0.776 17897 3405 1 15 . 1 1 13 13 LYS H H 13 7.807 7.807 8.088 -0.281 17897 3406 1 15 . 1 1 14 14 LYS N N 14 115.342 115.342 115.333 0.009 17897 3407 1 15 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.980 0.103 17897 3408 1 15 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.841 0.213 17897 3409 1 15 . 1 1 14 14 LYS H H 14 8.128 8.128 8.108 0.020 17897 3410 1 15 . 1 1 15 15 ILE N N 15 118.385 118.385 114.380 4.005 17897 3411 1 15 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.561 0.045 17897 3412 1 15 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.051 0.752 17897 3413 1 15 . 1 1 15 15 ILE H H 15 7.601 7.601 8.227 -0.626 17897 3414 1 15 . 1 1 16 16 SER N N 16 125.109 125.109 120.971 4.138 17897 3415 1 15 . 1 1 16 16 SER HA H 16 4.582 4.582 4.536 0.046 17897 3416 1 15 . 1 1 16 16 SER CA C 16 57.628 57.628 57.016 0.612 17897 3417 1 15 . 1 1 16 16 SER H H 16 9.528 9.528 8.200 1.328 17897 3418 1 15 . 1 1 17 17 GLN N N 17 120.159 120.159 122.863 -2.704 17897 3419 1 15 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.024 -0.141 17897 3420 1 15 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.928 2.683 17897 3421 1 15 . 1 1 17 17 GLN H H 17 9.587 9.587 8.979 0.608 17897 3422 1 15 . 1 1 18 18 SER N N 18 113.031 113.031 114.216 -1.185 17897 3423 1 15 . 1 1 18 18 SER H H 18 9.072 9.072 8.553 0.519 17897 3424 1 15 . 1 1 19 19 GLU N N 19 124.022 124.022 119.878 4.144 17897 3425 1 15 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.139 0.078 17897 3426 1 15 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.563 1.134 17897 3427 1 15 . 1 1 19 19 GLU H H 19 8.409 8.409 8.498 -0.089 17897 3428 1 15 . 1 1 20 20 LEU N N 20 119.979 119.979 122.984 -3.005 17897 3429 1 15 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.889 0.227 17897 3430 1 15 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.286 1.109 17897 3431 1 15 . 1 1 20 20 LEU H H 20 8.381 8.381 7.883 0.498 17897 3432 1 15 . 1 1 21 21 ALA N N 21 119.822 119.822 120.710 -0.888 17897 3433 1 15 . 1 1 21 21 ALA HA H 21 3.615 3.615 3.961 -0.346 17897 3434 1 15 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.598 0.145 17897 3435 1 15 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.033 -0.359 17897 3436 1 15 . 1 1 21 21 ALA H H 21 8.670 8.670 8.903 -0.233 17897 3437 1 15 . 1 1 22 22 ALA N N 22 117.186 117.186 120.716 -3.530 17897 3438 1 15 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.047 0.259 17897 3439 1 15 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.258 1.274 17897 3440 1 15 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.318 0.151 17897 3441 1 15 . 1 1 22 22 ALA H H 22 7.869 7.869 7.349 0.520 17897 3442 1 15 . 1 1 23 23 LEU N N 23 118.476 118.476 117.247 1.229 17897 3443 1 15 . 1 1 23 23 LEU HA H 23 4.089 4.089 4.046 0.043 17897 3444 1 15 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.723 1.404 17897 3445 1 15 . 1 1 23 23 LEU H H 23 7.581 7.581 7.704 -0.123 17897 3446 1 15 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.249 0.063 17897 3447 1 15 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.407 0.293 17897 3448 1 15 . 1 1 25 25 GLU N N 25 114.844 114.844 115.691 -0.847 17897 3449 1 15 . 1 1 25 25 GLU HA H 25 4.084 4.084 4.052 0.032 17897 3450 1 15 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.587 0.647 17897 3451 1 15 . 1 1 25 25 GLU H H 25 8.076 8.076 7.928 0.148 17897 3452 1 15 . 1 1 26 26 VAL N N 26 109.651 109.651 112.298 -2.647 17897 3453 1 15 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.550 0.343 17897 3454 1 15 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.509 -0.389 17897 3455 1 15 . 1 1 26 26 VAL H H 26 8.037 8.037 7.108 0.929 17897 3456 1 15 . 1 1 27 27 SER N N 27 114.367 114.367 117.420 -3.053 17897 3457 1 15 . 1 1 27 27 SER CB C 27 63.110 63.110 62.988 0.122 17897 3458 1 15 . 1 1 27 27 SER H H 27 8.694 8.694 8.783 -0.089 17897 3459 1 15 . 1 1 28 28 ARG N N 28 115.247 115.247 122.400 -7.153 17897 3460 1 15 . 1 1 28 28 ARG HA H 28 3.779 3.779 4.062 -0.283 17897 3461 1 15 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.647 2.037 17897 3462 1 15 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.189 0.699 17897 3463 1 15 . 1 1 28 28 ARG H H 28 8.301 8.301 8.193 0.108 17897 3464 1 15 . 1 1 29 29 GLN N N 29 117.269 117.269 118.375 -1.106 17897 3465 1 15 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.044 0.193 17897 3466 1 15 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.078 0.935 17897 3467 1 15 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.664 -0.266 17897 3468 1 15 . 1 1 29 29 GLN H H 29 8.882 8.882 8.086 0.796 17897 3469 1 15 . 1 1 30 30 THR N N 30 119.977 119.977 113.517 6.460 17897 3470 1 15 . 1 1 30 30 THR HA H 30 4.601 4.601 4.237 0.364 17897 3471 1 15 . 1 1 30 30 THR CA C 30 68.731 68.731 65.295 3.436 17897 3472 1 15 . 1 1 30 30 THR CB C 30 67.567 67.567 68.998 -1.431 17897 3473 1 15 . 1 1 30 30 THR H H 30 8.203 8.203 7.893 0.310 17897 3474 1 15 . 1 1 31 31 ILE N N 31 118.714 118.714 118.283 0.431 17897 3475 1 15 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.970 -0.185 17897 3476 1 15 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.883 -1.728 17897 3477 1 15 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.645 -1.819 17897 3478 1 15 . 1 1 31 31 ILE H H 31 7.197 7.197 8.340 -1.143 17897 3479 1 15 . 1 1 32 32 ASN N N 32 118.007 118.007 120.609 -2.602 17897 3480 1 15 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.652 -0.306 17897 3481 1 15 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.893 1.165 17897 3482 1 15 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.519 1.535 17897 3483 1 15 . 1 1 32 32 ASN H H 32 8.730 8.730 8.226 0.504 17897 3484 1 15 . 1 1 33 33 GLY N N 33 124.914 124.914 108.621 16.293 17897 3485 1 15 . 1 1 33 33 GLY H H 33 8.713 8.713 8.127 0.586 17897 3486 1 15 . 1 1 34 34 ILE N N 34 122.110 122.110 122.861 -0.751 17897 3487 1 15 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.817 0.534 17897 3488 1 15 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.627 1.816 17897 3489 1 15 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.712 1.474 17897 3490 1 15 . 1 1 34 34 ILE H H 34 8.246 8.246 7.196 1.050 17897 3491 1 15 . 1 1 35 35 GLU N N 35 120.672 120.672 120.297 0.375 17897 3492 1 15 . 1 1 35 35 GLU HA H 35 4.327 4.327 3.437 0.890 17897 3493 1 15 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.889 0.800 17897 3494 1 15 . 1 1 35 35 GLU H H 35 8.684 8.684 8.619 0.065 17897 3495 1 15 . 1 1 36 36 LYS N N 36 115.941 115.941 118.736 -2.795 17897 3496 1 15 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.312 0.300 17897 3497 1 15 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.718 -2.417 17897 3498 1 15 . 1 1 36 36 LYS H H 36 8.152 8.152 8.715 -0.563 17897 3499 1 15 . 1 1 37 37 ASN N N 37 114.474 114.474 117.936 -3.462 17897 3500 1 15 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.426 0.472 17897 3501 1 15 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.862 0.198 17897 3502 1 15 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.589 -0.813 17897 3503 1 15 . 1 1 37 37 ASN H H 37 8.263 8.263 7.803 0.460 17897 3504 1 15 . 1 1 38 38 LYS N N 38 115.022 115.022 117.730 -2.708 17897 3505 1 15 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.201 0.279 17897 3506 1 15 . 1 1 38 38 LYS CA C 38 56.844 56.844 58.004 -1.160 17897 3507 1 15 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.971 0.060 17897 3508 1 15 . 1 1 38 38 LYS H H 38 8.789 8.789 7.555 1.234 17897 3509 1 15 . 1 1 39 39 TYR N N 39 116.894 116.894 116.078 0.816 17897 3510 1 15 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.731 -0.036 17897 3511 1 15 . 1 1 39 39 TYR CA C 39 56.323 56.323 54.823 1.500 17897 3512 1 15 . 1 1 39 39 TYR H H 39 7.120 7.120 7.350 -0.230 17897 3513 1 15 . 1 1 40 40 ASN N N 40 123.571 123.571 118.423 5.148 17897 3514 1 15 . 1 1 40 40 ASN H H 40 8.925 8.925 8.634 0.291 17897 3515 1 15 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.557 -0.702 17897 3516 1 15 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.182 0.390 17897 3517 1 15 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.173 0.288 17897 3518 1 15 . 1 1 42 42 SER N N 42 125.757 125.757 118.389 7.368 17897 3519 1 15 . 1 1 42 42 SER HA H 42 4.596 4.596 4.277 0.319 17897 3520 1 15 . 1 1 42 42 SER CA C 42 58.235 58.235 58.552 -0.317 17897 3521 1 15 . 1 1 42 42 SER H H 42 8.113 8.113 8.543 -0.430 17897 3522 1 15 . 1 1 43 43 LEU N N 43 120.595 120.595 126.201 -5.606 17897 3523 1 15 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.977 0.050 17897 3524 1 15 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.892 0.189 17897 3525 1 15 . 1 1 43 43 LEU H H 43 9.354 9.354 8.834 0.520 17897 3526 1 15 . 1 1 44 44 GLN N N 44 116.009 116.009 118.724 -2.715 17897 3527 1 15 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.210 -0.453 17897 3528 1 15 . 1 1 44 44 GLN CA C 44 60.740 60.740 58.476 2.264 17897 3529 1 15 . 1 1 44 44 GLN H H 44 8.964 8.964 8.690 0.274 17897 3530 1 15 . 1 1 45 45 LEU N N 45 119.443 119.443 120.421 -0.978 17897 3531 1 15 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.113 -0.468 17897 3532 1 15 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.524 -2.825 17897 3533 1 15 . 1 1 45 45 LEU H H 45 8.167 8.167 7.878 0.289 17897 3534 1 15 . 1 1 46 46 ALA N N 46 120.477 120.477 121.699 -1.222 17897 3535 1 15 . 1 1 46 46 ALA HA H 46 4.029 4.029 3.979 0.050 17897 3536 1 15 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.976 1.509 17897 3537 1 15 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.529 2.124 17897 3538 1 15 . 1 1 46 46 ALA H H 46 8.559 8.559 8.672 -0.113 17897 3539 1 15 . 1 1 47 47 LEU N N 47 116.564 116.564 119.832 -3.268 17897 3540 1 15 . 1 1 47 47 LEU HA H 47 4.182 4.182 4.021 0.161 17897 3541 1 15 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.937 0.464 17897 3542 1 15 . 1 1 47 47 LEU H H 47 8.787 8.787 8.800 -0.013 17897 3543 1 15 . 1 1 48 48 LYS N N 48 121.007 121.007 118.399 2.608 17897 3544 1 15 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.125 -0.405 17897 3545 1 15 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.969 0.770 17897 3546 1 15 . 1 1 48 48 LYS H H 48 8.106 8.106 7.860 0.246 17897 3547 1 15 . 1 1 49 49 ILE N N 49 120.417 120.417 114.535 5.882 17897 3548 1 15 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.233 -0.559 17897 3549 1 15 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.376 4.268 17897 3550 1 15 . 1 1 49 49 ILE H H 49 8.831 8.831 7.403 1.428 17897 3551 1 15 . 1 1 50 50 ALA N N 50 120.372 120.372 125.296 -4.924 17897 3552 1 15 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.968 0.128 17897 3553 1 15 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.991 1.221 17897 3554 1 15 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.936 0.894 17897 3555 1 15 . 1 1 50 50 ALA H H 50 8.235 8.235 8.572 -0.337 17897 3556 1 15 . 1 1 51 51 TYR N N 51 116.980 116.980 116.249 0.731 17897 3557 1 15 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.158 0.197 17897 3558 1 15 . 1 1 51 51 TYR CA C 51 62.332 62.332 62.022 0.310 17897 3559 1 15 . 1 1 51 51 TYR H H 51 8.209 8.209 7.685 0.524 17897 3560 1 15 . 1 1 52 52 TYR N N 52 118.569 118.569 118.263 0.306 17897 3561 1 15 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.317 0.006 17897 3562 1 15 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.389 3.587 17897 3563 1 15 . 1 1 52 52 TYR H H 52 9.129 9.129 7.835 1.294 17897 3564 1 15 . 1 1 53 53 LEU N N 53 115.377 115.377 120.121 -4.744 17897 3565 1 15 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.305 0.282 17897 3566 1 15 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.633 0.340 17897 3567 1 15 . 1 1 53 53 LEU H H 53 8.475 8.475 8.979 -0.504 17897 3568 1 15 . 1 1 54 54 ASN N N 54 122.061 122.061 124.094 -2.033 17897 3569 1 15 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.574 -0.052 17897 3570 1 15 . 1 1 54 54 ASN CA C 54 54.568 54.568 53.828 0.740 17897 3571 1 15 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.713 0.772 17897 3572 1 15 . 1 1 54 54 ASN H H 54 8.121 8.121 8.040 0.081 17897 3573 1 15 . 1 1 55 55 THR N N 55 114.942 114.942 119.493 -4.551 17897 3574 1 15 . 1 1 55 55 THR HA H 55 5.060 5.060 4.484 0.576 17897 3575 1 15 . 1 1 55 55 THR CA C 55 61.017 61.017 60.233 0.784 17897 3576 1 15 . 1 1 55 55 THR CB C 55 75.522 75.522 71.022 4.500 17897 3577 1 15 . 1 1 55 55 THR H H 55 8.315 8.315 8.022 0.293 17897 3578 1 15 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.528 0.080 17897 3579 1 15 . 1 1 56 56 PRO CA C 56 63.358 63.358 63.006 0.352 17897 3580 1 15 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.413 -0.204 17897 3581 1 15 . 1 1 57 57 LEU CA C 57 60.622 60.622 55.296 5.326 17897 3582 1 15 . 1 1 58 58 GLU N N 58 123.065 123.065 120.801 2.264 17897 3583 1 15 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.118 0.794 17897 3584 1 15 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.803 -0.279 17897 3585 1 15 . 1 1 58 58 GLU H H 58 9.418 9.418 8.818 0.600 17897 3586 1 15 . 1 1 59 59 ASP N N 59 117.640 117.640 116.970 0.670 17897 3587 1 15 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.502 0.076 17897 3588 1 15 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.234 0.746 17897 3589 1 15 . 1 1 59 59 ASP H H 59 8.073 8.073 8.560 -0.487 17897 3590 1 15 . 1 1 60 60 ILE N N 60 119.506 119.506 118.031 1.475 17897 3591 1 15 . 1 1 60 60 ILE H H 60 8.276 8.276 7.354 0.922 17897 3592 1 15 . 1 1 61 61 PHE N N 61 115.913 115.913 119.414 -3.501 17897 3593 1 15 . 1 1 61 61 PHE H H 61 8.567 8.567 8.673 -0.106 17897 3594 1 15 . 1 1 63 63 TRP N N 63 125.522 125.522 120.090 5.432 17897 3595 1 15 . 1 1 63 63 TRP H H 63 9.524 9.524 8.136 1.388 17897 3596 1 15 . 1 1 64 64 GLN N N 64 127.251 127.251 119.935 7.316 17897 3597 1 15 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.499 4.074 17897 3598 1 15 . 1 1 64 64 GLN H H 64 8.048 8.048 6.770 1.278 17897 3599 1 15 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.238 0.359 17897 3600 1 15 . 1 1 65 65 PRO CA C 65 62.029 62.029 64.820 -2.791 17897 3601 1 16 . 1 1 2 2 ILE N N 2 122.866 122.866 119.480 3.386 17897 3602 1 16 . 1 1 2 2 ILE CB C 2 39.823 39.823 37.535 2.288 17897 3603 1 16 . 1 1 2 2 ILE H H 2 9.234 9.234 8.124 1.110 17897 3604 1 16 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.177 0.303 17897 3605 1 16 . 1 1 3 3 ILE CA C 3 60.663 60.663 61.611 -0.948 17897 3606 1 16 . 1 1 3 3 ILE CB C 3 39.555 39.555 35.531 4.024 17897 3607 1 16 . 1 1 4 4 ASN N N 4 124.006 124.006 118.991 5.015 17897 3608 1 16 . 1 1 4 4 ASN H H 4 9.158 9.158 9.189 -0.031 17897 3609 1 16 . 1 1 6 6 LEU N N 6 120.561 120.561 121.314 -0.753 17897 3610 1 16 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.071 -0.292 17897 3611 1 16 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.748 2.852 17897 3612 1 16 . 1 1 6 6 LEU H H 6 8.637 8.637 8.788 -0.151 17897 3613 1 16 . 1 1 7 7 LYS N N 7 118.177 118.177 119.167 -0.990 17897 3614 1 16 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.994 -0.023 17897 3615 1 16 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.633 1.687 17897 3616 1 16 . 1 1 7 7 LYS CB C 7 32.434 32.434 32.030 0.404 17897 3617 1 16 . 1 1 7 7 LYS H H 7 9.010 9.010 9.299 -0.289 17897 3618 1 16 . 1 1 8 8 LEU N N 8 116.280 116.280 119.456 -3.176 17897 3619 1 16 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.126 0.036 17897 3620 1 16 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.290 1.000 17897 3621 1 16 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.869 0.890 17897 3622 1 16 . 1 1 8 8 LEU H H 8 7.762 7.762 7.609 0.153 17897 3623 1 16 . 1 1 9 9 ILE N N 9 119.178 119.178 118.939 0.239 17897 3624 1 16 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.694 0.170 17897 3625 1 16 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.333 0.568 17897 3626 1 16 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.696 0.988 17897 3627 1 16 . 1 1 9 9 ILE H H 9 8.277 8.277 7.545 0.732 17897 3628 1 16 . 1 1 10 10 ARG N N 10 120.083 120.083 119.187 0.896 17897 3629 1 16 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.894 -0.016 17897 3630 1 16 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.126 1.700 17897 3631 1 16 . 1 1 10 10 ARG H H 10 9.313 9.313 7.750 1.563 17897 3632 1 16 . 1 1 11 11 GLU N N 11 115.851 115.851 118.253 -2.402 17897 3633 1 16 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.051 0.188 17897 3634 1 16 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.271 1.015 17897 3635 1 16 . 1 1 11 11 GLU H H 11 8.760 8.760 8.273 0.487 17897 3636 1 16 . 1 1 12 12 LYS N N 12 122.969 122.969 120.963 2.006 17897 3637 1 16 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.101 0.160 17897 3638 1 16 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.772 1.445 17897 3639 1 16 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.288 0.610 17897 3640 1 16 . 1 1 12 12 LYS H H 12 8.300 8.300 7.356 0.944 17897 3641 1 16 . 1 1 13 13 LYS N N 13 116.249 116.249 117.691 -1.442 17897 3642 1 16 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.249 0.064 17897 3643 1 16 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.633 0.213 17897 3644 1 16 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.711 -0.958 17897 3645 1 16 . 1 1 13 13 LYS H H 13 7.807 7.807 7.680 0.127 17897 3646 1 16 . 1 1 14 14 LYS N N 14 115.342 115.342 116.328 -0.986 17897 3647 1 16 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.000 0.083 17897 3648 1 16 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.544 0.510 17897 3649 1 16 . 1 1 14 14 LYS H H 14 8.128 8.128 7.958 0.170 17897 3650 1 16 . 1 1 15 15 ILE N N 15 118.385 118.385 112.996 5.389 17897 3651 1 16 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.892 -0.286 17897 3652 1 16 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.363 0.440 17897 3653 1 16 . 1 1 15 15 ILE H H 15 7.601 7.601 8.243 -0.642 17897 3654 1 16 . 1 1 16 16 SER N N 16 125.109 125.109 119.975 5.134 17897 3655 1 16 . 1 1 16 16 SER HA H 16 4.582 4.582 4.455 0.127 17897 3656 1 16 . 1 1 16 16 SER CA C 16 57.628 57.628 57.908 -0.280 17897 3657 1 16 . 1 1 16 16 SER H H 16 9.528 9.528 9.783 -0.255 17897 3658 1 16 . 1 1 17 17 GLN N N 17 120.159 120.159 125.564 -5.405 17897 3659 1 16 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.043 -0.160 17897 3660 1 16 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.902 2.709 17897 3661 1 16 . 1 1 17 17 GLN H H 17 9.587 9.587 9.016 0.571 17897 3662 1 16 . 1 1 18 18 SER N N 18 113.031 113.031 114.530 -1.499 17897 3663 1 16 . 1 1 18 18 SER H H 18 9.072 9.072 7.761 1.311 17897 3664 1 16 . 1 1 19 19 GLU N N 19 124.022 124.022 123.589 0.433 17897 3665 1 16 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.073 0.144 17897 3666 1 16 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.999 0.698 17897 3667 1 16 . 1 1 19 19 GLU H H 19 8.409 8.409 8.069 0.340 17897 3668 1 16 . 1 1 20 20 LEU N N 20 119.979 119.979 120.044 -0.065 17897 3669 1 16 . 1 1 20 20 LEU HA H 20 4.116 4.116 4.019 0.097 17897 3670 1 16 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.702 0.693 17897 3671 1 16 . 1 1 20 20 LEU H H 20 8.381 8.381 8.586 -0.205 17897 3672 1 16 . 1 1 21 21 ALA N N 21 119.822 119.822 122.494 -2.672 17897 3673 1 16 . 1 1 21 21 ALA HA H 21 3.615 3.615 3.998 -0.383 17897 3674 1 16 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.882 -0.139 17897 3675 1 16 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.122 -0.448 17897 3676 1 16 . 1 1 21 21 ALA H H 21 8.670 8.670 8.556 0.114 17897 3677 1 16 . 1 1 22 22 ALA N N 22 117.186 117.186 121.005 -3.819 17897 3678 1 16 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.020 0.286 17897 3679 1 16 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.335 1.197 17897 3680 1 16 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.503 -0.034 17897 3681 1 16 . 1 1 22 22 ALA H H 22 7.869 7.869 8.531 -0.662 17897 3682 1 16 . 1 1 23 23 LEU N N 23 118.476 118.476 118.255 0.221 17897 3683 1 16 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.963 0.126 17897 3684 1 16 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.416 0.711 17897 3685 1 16 . 1 1 23 23 LEU H H 23 7.581 7.581 8.150 -0.569 17897 3686 1 16 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.216 0.096 17897 3687 1 16 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.252 0.448 17897 3688 1 16 . 1 1 25 25 GLU N N 25 114.844 114.844 116.016 -1.172 17897 3689 1 16 . 1 1 25 25 GLU HA H 25 4.084 4.084 4.020 0.064 17897 3690 1 16 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.394 0.839 17897 3691 1 16 . 1 1 25 25 GLU H H 25 8.076 8.076 7.806 0.270 17897 3692 1 16 . 1 1 26 26 VAL N N 26 109.651 109.651 112.183 -2.532 17897 3693 1 16 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.485 0.408 17897 3694 1 16 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.630 -0.510 17897 3695 1 16 . 1 1 26 26 VAL H H 26 8.037 8.037 7.163 0.874 17897 3696 1 16 . 1 1 27 27 SER N N 27 114.367 114.367 117.569 -3.202 17897 3697 1 16 . 1 1 27 27 SER CB C 27 63.110 63.110 62.861 0.249 17897 3698 1 16 . 1 1 27 27 SER H H 27 8.694 8.694 8.597 0.097 17897 3699 1 16 . 1 1 28 28 ARG N N 28 115.247 115.247 122.915 -7.668 17897 3700 1 16 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.977 -0.198 17897 3701 1 16 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.892 1.792 17897 3702 1 16 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.533 0.356 17897 3703 1 16 . 1 1 28 28 ARG H H 28 8.301 8.301 8.352 -0.051 17897 3704 1 16 . 1 1 29 29 GLN N N 29 117.269 117.269 117.644 -0.375 17897 3705 1 16 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.035 0.202 17897 3706 1 16 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.693 1.320 17897 3707 1 16 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.356 0.042 17897 3708 1 16 . 1 1 29 29 GLN H H 29 8.882 8.882 7.702 1.180 17897 3709 1 16 . 1 1 30 30 THR N N 30 119.977 119.977 112.416 7.561 17897 3710 1 16 . 1 1 30 30 THR HA H 30 4.601 4.601 4.143 0.458 17897 3711 1 16 . 1 1 30 30 THR CA C 30 68.731 68.731 65.328 3.403 17897 3712 1 16 . 1 1 30 30 THR CB C 30 67.567 67.567 68.784 -1.217 17897 3713 1 16 . 1 1 30 30 THR H H 30 8.203 8.203 8.446 -0.243 17897 3714 1 16 . 1 1 31 31 ILE N N 31 118.714 118.714 118.491 0.223 17897 3715 1 16 . 1 1 31 31 ILE HA H 31 3.785 3.785 4.018 -0.233 17897 3716 1 16 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.177 -1.022 17897 3717 1 16 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.447 -1.621 17897 3718 1 16 . 1 1 31 31 ILE H H 31 7.197 7.197 7.504 -0.307 17897 3719 1 16 . 1 1 32 32 ASN N N 32 118.007 118.007 121.152 -3.145 17897 3720 1 16 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.547 -0.201 17897 3721 1 16 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.808 1.250 17897 3722 1 16 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.578 1.476 17897 3723 1 16 . 1 1 32 32 ASN H H 32 8.730 8.730 8.799 -0.069 17897 3724 1 16 . 1 1 33 33 GLY N N 33 124.914 124.914 108.037 16.877 17897 3725 1 16 . 1 1 33 33 GLY H H 33 8.713 8.713 7.630 1.083 17897 3726 1 16 . 1 1 34 34 ILE N N 34 122.110 122.110 123.145 -1.035 17897 3727 1 16 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.491 0.860 17897 3728 1 16 . 1 1 34 34 ILE CA C 34 65.443 65.443 64.770 0.673 17897 3729 1 16 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.667 1.519 17897 3730 1 16 . 1 1 34 34 ILE H H 34 8.246 8.246 7.268 0.978 17897 3731 1 16 . 1 1 35 35 GLU N N 35 120.672 120.672 117.893 2.779 17897 3732 1 16 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.062 0.265 17897 3733 1 16 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.511 1.178 17897 3734 1 16 . 1 1 35 35 GLU H H 35 8.684 8.684 8.771 -0.087 17897 3735 1 16 . 1 1 36 36 LYS N N 36 115.941 115.941 116.469 -0.528 17897 3736 1 16 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.445 0.167 17897 3737 1 16 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.070 -1.769 17897 3738 1 16 . 1 1 36 36 LYS H H 36 8.152 8.152 7.666 0.486 17897 3739 1 16 . 1 1 37 37 ASN N N 37 114.474 114.474 119.246 -4.772 17897 3740 1 16 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.501 0.397 17897 3741 1 16 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.885 0.175 17897 3742 1 16 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.582 -0.806 17897 3743 1 16 . 1 1 37 37 ASN H H 37 8.263 8.263 8.890 -0.627 17897 3744 1 16 . 1 1 38 38 LYS N N 38 115.022 115.022 117.831 -2.809 17897 3745 1 16 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.197 0.283 17897 3746 1 16 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.587 -0.743 17897 3747 1 16 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.841 0.190 17897 3748 1 16 . 1 1 38 38 LYS H H 38 8.789 8.789 7.672 1.117 17897 3749 1 16 . 1 1 39 39 TYR N N 39 116.894 116.894 116.634 0.260 17897 3750 1 16 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.741 -0.046 17897 3751 1 16 . 1 1 39 39 TYR CA C 39 56.323 56.323 55.239 1.085 17897 3752 1 16 . 1 1 39 39 TYR H H 39 7.120 7.120 7.990 -0.870 17897 3753 1 16 . 1 1 40 40 ASN N N 40 123.571 123.571 117.428 6.143 17897 3754 1 16 . 1 1 40 40 ASN H H 40 8.925 8.925 8.589 0.336 17897 3755 1 16 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.453 -0.598 17897 3756 1 16 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.602 -0.030 17897 3757 1 16 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.943 0.518 17897 3758 1 16 . 1 1 42 42 SER N N 42 125.757 125.757 120.329 5.428 17897 3759 1 16 . 1 1 42 42 SER HA H 42 4.596 4.596 4.369 0.227 17897 3760 1 16 . 1 1 42 42 SER CA C 42 58.235 58.235 59.139 -0.904 17897 3761 1 16 . 1 1 42 42 SER H H 42 8.113 8.113 9.442 -1.329 17897 3762 1 16 . 1 1 43 43 LEU N N 43 120.595 120.595 127.916 -7.321 17897 3763 1 16 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.972 0.055 17897 3764 1 16 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.430 -0.349 17897 3765 1 16 . 1 1 43 43 LEU H H 43 9.354 9.354 8.954 0.400 17897 3766 1 16 . 1 1 44 44 GLN N N 44 116.009 116.009 118.195 -2.186 17897 3767 1 16 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.072 -0.315 17897 3768 1 16 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.356 1.384 17897 3769 1 16 . 1 1 44 44 GLN H H 44 8.964 8.964 8.486 0.478 17897 3770 1 16 . 1 1 45 45 LEU N N 45 119.443 119.443 119.211 0.232 17897 3771 1 16 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.111 -0.466 17897 3772 1 16 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.459 -2.760 17897 3773 1 16 . 1 1 45 45 LEU H H 45 8.167 8.167 7.775 0.392 17897 3774 1 16 . 1 1 46 46 ALA N N 46 120.477 120.477 121.245 -0.768 17897 3775 1 16 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.017 0.012 17897 3776 1 16 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.763 1.722 17897 3777 1 16 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.743 1.910 17897 3778 1 16 . 1 1 46 46 ALA H H 46 8.559 8.559 8.448 0.111 17897 3779 1 16 . 1 1 47 47 LEU N N 47 116.564 116.564 119.715 -3.151 17897 3780 1 16 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.964 0.218 17897 3781 1 16 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.162 0.239 17897 3782 1 16 . 1 1 47 47 LEU H H 47 8.787 8.787 8.979 -0.193 17897 3783 1 16 . 1 1 48 48 LYS N N 48 121.007 121.007 116.833 4.174 17897 3784 1 16 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.141 -0.421 17897 3785 1 16 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.126 1.613 17897 3786 1 16 . 1 1 48 48 LYS H H 48 8.106 8.106 7.825 0.281 17897 3787 1 16 . 1 1 49 49 ILE N N 49 120.417 120.417 120.591 -0.174 17897 3788 1 16 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.029 -0.355 17897 3789 1 16 . 1 1 49 49 ILE CA C 49 67.644 67.644 61.675 5.968 17897 3790 1 16 . 1 1 49 49 ILE H H 49 8.831 8.831 7.715 1.116 17897 3791 1 16 . 1 1 50 50 ALA N N 50 120.372 120.372 122.398 -2.026 17897 3792 1 16 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.887 0.209 17897 3793 1 16 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.902 1.310 17897 3794 1 16 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.580 1.250 17897 3795 1 16 . 1 1 50 50 ALA H H 50 8.235 8.235 8.525 -0.290 17897 3796 1 16 . 1 1 51 51 TYR N N 51 116.980 116.980 115.963 1.017 17897 3797 1 16 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.156 0.199 17897 3798 1 16 . 1 1 51 51 TYR CA C 51 62.332 62.332 60.169 2.163 17897 3799 1 16 . 1 1 51 51 TYR H H 51 8.209 8.209 7.315 0.894 17897 3800 1 16 . 1 1 52 52 TYR N N 52 118.569 118.569 119.483 -0.914 17897 3801 1 16 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.061 0.262 17897 3802 1 16 . 1 1 52 52 TYR CA C 52 63.976 63.976 59.537 4.439 17897 3803 1 16 . 1 1 52 52 TYR H H 52 9.129 9.129 7.170 1.959 17897 3804 1 16 . 1 1 53 53 LEU N N 53 115.377 115.377 120.082 -4.705 17897 3805 1 16 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.073 0.514 17897 3806 1 16 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.124 0.848 17897 3807 1 16 . 1 1 53 53 LEU H H 53 8.475 8.475 7.584 0.891 17897 3808 1 16 . 1 1 54 54 ASN N N 54 122.061 122.061 125.589 -3.528 17897 3809 1 16 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.604 -0.082 17897 3810 1 16 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.056 0.512 17897 3811 1 16 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.700 0.785 17897 3812 1 16 . 1 1 54 54 ASN H H 54 8.121 8.121 8.216 -0.095 17897 3813 1 16 . 1 1 55 55 THR N N 55 114.942 114.942 119.038 -4.096 17897 3814 1 16 . 1 1 55 55 THR HA H 55 5.060 5.060 4.536 0.524 17897 3815 1 16 . 1 1 55 55 THR CA C 55 61.017 61.017 60.765 0.252 17897 3816 1 16 . 1 1 55 55 THR CB C 55 75.522 75.522 71.289 4.233 17897 3817 1 16 . 1 1 55 55 THR H H 55 8.315 8.315 7.776 0.539 17897 3818 1 16 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.561 0.047 17897 3819 1 16 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.920 0.438 17897 3820 1 16 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.539 -0.330 17897 3821 1 16 . 1 1 57 57 LEU CA C 57 60.622 60.622 55.365 5.257 17897 3822 1 16 . 1 1 58 58 GLU N N 58 123.065 123.065 120.106 2.959 17897 3823 1 16 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.053 0.859 17897 3824 1 16 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.931 -0.406 17897 3825 1 16 . 1 1 58 58 GLU H H 58 9.418 9.418 8.461 0.957 17897 3826 1 16 . 1 1 59 59 ASP N N 59 117.640 117.640 115.439 2.201 17897 3827 1 16 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.487 0.091 17897 3828 1 16 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.362 0.618 17897 3829 1 16 . 1 1 59 59 ASP H H 59 8.073 8.073 8.680 -0.607 17897 3830 1 16 . 1 1 60 60 ILE N N 60 119.506 119.506 112.944 6.562 17897 3831 1 16 . 1 1 60 60 ILE H H 60 8.276 8.276 7.557 0.719 17897 3832 1 16 . 1 1 61 61 PHE N N 61 115.913 115.913 123.332 -7.419 17897 3833 1 16 . 1 1 61 61 PHE H H 61 8.567 8.567 8.177 0.390 17897 3834 1 16 . 1 1 63 63 TRP N N 63 125.522 125.522 118.906 6.616 17897 3835 1 16 . 1 1 63 63 TRP H H 63 9.524 9.524 7.944 1.580 17897 3836 1 16 . 1 1 64 64 GLN N N 64 127.251 127.251 120.006 7.245 17897 3837 1 16 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.917 3.656 17897 3838 1 16 . 1 1 64 64 GLN H H 64 8.048 8.048 7.923 0.125 17897 3839 1 16 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.299 0.298 17897 3840 1 16 . 1 1 65 65 PRO CA C 65 62.029 62.029 64.501 -2.472 17897 3841 1 17 . 1 1 2 2 ILE N N 2 122.866 122.866 120.212 2.654 17897 3842 1 17 . 1 1 2 2 ILE CB C 2 39.823 39.823 40.083 -0.260 17897 3843 1 17 . 1 1 2 2 ILE H H 2 9.234 9.234 8.017 1.217 17897 3844 1 17 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.261 0.219 17897 3845 1 17 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.431 0.232 17897 3846 1 17 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.113 3.442 17897 3847 1 17 . 1 1 4 4 ASN N N 4 124.006 124.006 124.821 -0.815 17897 3848 1 17 . 1 1 4 4 ASN H H 4 9.158 9.158 8.291 0.867 17897 3849 1 17 . 1 1 6 6 LEU N N 6 120.561 120.561 126.348 -5.787 17897 3850 1 17 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.006 -0.227 17897 3851 1 17 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.831 2.768 17897 3852 1 17 . 1 1 6 6 LEU H H 6 8.637 8.637 8.688 -0.051 17897 3853 1 17 . 1 1 7 7 LYS N N 7 118.177 118.177 118.598 -0.421 17897 3854 1 17 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.044 -0.073 17897 3855 1 17 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.338 1.982 17897 3856 1 17 . 1 1 7 7 LYS CB C 7 32.434 32.434 32.206 0.228 17897 3857 1 17 . 1 1 7 7 LYS H H 7 9.010 9.010 8.944 0.066 17897 3858 1 17 . 1 1 8 8 LEU N N 8 116.280 116.280 117.602 -1.322 17897 3859 1 17 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.143 0.019 17897 3860 1 17 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.808 1.482 17897 3861 1 17 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.907 0.852 17897 3862 1 17 . 1 1 8 8 LEU H H 8 7.762 7.762 7.616 0.146 17897 3863 1 17 . 1 1 9 9 ILE N N 9 119.178 119.178 119.185 -0.007 17897 3864 1 17 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.787 0.077 17897 3865 1 17 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.861 0.040 17897 3866 1 17 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.567 1.117 17897 3867 1 17 . 1 1 9 9 ILE H H 9 8.277 8.277 7.858 0.419 17897 3868 1 17 . 1 1 10 10 ARG N N 10 120.083 120.083 118.940 1.143 17897 3869 1 17 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.961 -0.083 17897 3870 1 17 . 1 1 10 10 ARG CA C 10 61.826 61.826 59.940 1.887 17897 3871 1 17 . 1 1 10 10 ARG H H 10 9.313 9.313 7.846 1.467 17897 3872 1 17 . 1 1 11 11 GLU N N 11 115.851 115.851 118.808 -2.957 17897 3873 1 17 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.021 0.218 17897 3874 1 17 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.991 1.295 17897 3875 1 17 . 1 1 11 11 GLU H H 11 8.760 8.760 7.928 0.832 17897 3876 1 17 . 1 1 12 12 LYS N N 12 122.969 122.969 120.394 2.575 17897 3877 1 17 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.087 0.174 17897 3878 1 17 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.742 1.474 17897 3879 1 17 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.551 0.347 17897 3880 1 17 . 1 1 12 12 LYS H H 12 8.300 8.300 7.780 0.520 17897 3881 1 17 . 1 1 13 13 LYS N N 13 116.249 116.249 118.005 -1.756 17897 3882 1 17 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.265 0.048 17897 3883 1 17 . 1 1 13 13 LYS CA C 13 55.846 55.846 56.619 -0.773 17897 3884 1 17 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.683 -0.930 17897 3885 1 17 . 1 1 13 13 LYS H H 13 7.807 7.807 8.394 -0.587 17897 3886 1 17 . 1 1 14 14 LYS N N 14 115.342 115.342 115.143 0.199 17897 3887 1 17 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.991 0.092 17897 3888 1 17 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.870 0.184 17897 3889 1 17 . 1 1 14 14 LYS H H 14 8.128 8.128 7.518 0.610 17897 3890 1 17 . 1 1 15 15 ILE N N 15 118.385 118.385 112.483 5.902 17897 3891 1 17 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.812 -0.206 17897 3892 1 17 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.230 0.573 17897 3893 1 17 . 1 1 15 15 ILE H H 15 7.601 7.601 7.957 -0.356 17897 3894 1 17 . 1 1 16 16 SER N N 16 125.109 125.109 120.943 4.166 17897 3895 1 17 . 1 1 16 16 SER HA H 16 4.582 4.582 4.500 0.082 17897 3896 1 17 . 1 1 16 16 SER CA C 16 57.628 57.628 57.149 0.479 17897 3897 1 17 . 1 1 16 16 SER H H 16 9.528 9.528 9.129 0.399 17897 3898 1 17 . 1 1 17 17 GLN N N 17 120.159 120.159 122.707 -2.548 17897 3899 1 17 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.954 -0.071 17897 3900 1 17 . 1 1 17 17 GLN CA C 17 62.611 62.611 60.353 2.258 17897 3901 1 17 . 1 1 17 17 GLN H H 17 9.587 9.587 8.911 0.676 17897 3902 1 17 . 1 1 18 18 SER N N 18 113.031 113.031 114.262 -1.231 17897 3903 1 17 . 1 1 18 18 SER H H 18 9.072 9.072 8.505 0.567 17897 3904 1 17 . 1 1 19 19 GLU N N 19 124.022 124.022 122.890 1.132 17897 3905 1 17 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.012 0.205 17897 3906 1 17 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.030 0.667 17897 3907 1 17 . 1 1 19 19 GLU H H 19 8.409 8.409 8.230 0.179 17897 3908 1 17 . 1 1 20 20 LEU N N 20 119.979 119.979 119.747 0.232 17897 3909 1 17 . 1 1 20 20 LEU HA H 20 4.116 4.116 4.006 0.110 17897 3910 1 17 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.471 0.924 17897 3911 1 17 . 1 1 20 20 LEU H H 20 8.381 8.381 8.376 0.005 17897 3912 1 17 . 1 1 21 21 ALA N N 21 119.822 119.822 122.411 -2.589 17897 3913 1 17 . 1 1 21 21 ALA HA H 21 3.615 3.615 3.950 -0.336 17897 3914 1 17 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.855 -0.112 17897 3915 1 17 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.135 -0.461 17897 3916 1 17 . 1 1 21 21 ALA H H 21 8.670 8.670 8.716 -0.046 17897 3917 1 17 . 1 1 22 22 ALA N N 22 117.186 117.186 120.570 -3.384 17897 3918 1 17 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.035 0.271 17897 3919 1 17 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.519 1.013 17897 3920 1 17 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.262 0.207 17897 3921 1 17 . 1 1 22 22 ALA H H 22 7.869 7.869 7.996 -0.127 17897 3922 1 17 . 1 1 23 23 LEU N N 23 118.476 118.476 118.159 0.317 17897 3923 1 17 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.910 0.179 17897 3924 1 17 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.193 0.934 17897 3925 1 17 . 1 1 23 23 LEU H H 23 7.581 7.581 7.530 0.051 17897 3926 1 17 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.195 0.117 17897 3927 1 17 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.188 0.512 17897 3928 1 17 . 1 1 25 25 GLU N N 25 114.844 114.844 116.878 -2.034 17897 3929 1 17 . 1 1 25 25 GLU HA H 25 4.084 4.084 4.041 0.043 17897 3930 1 17 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.480 0.753 17897 3931 1 17 . 1 1 25 25 GLU H H 25 8.076 8.076 7.847 0.229 17897 3932 1 17 . 1 1 26 26 VAL N N 26 109.651 109.651 111.813 -2.162 17897 3933 1 17 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.475 0.418 17897 3934 1 17 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.214 -0.094 17897 3935 1 17 . 1 1 26 26 VAL H H 26 8.037 8.037 8.818 -0.781 17897 3936 1 17 . 1 1 27 27 SER N N 27 114.367 114.367 116.117 -1.750 17897 3937 1 17 . 1 1 27 27 SER CB C 27 63.110 63.110 62.699 0.411 17897 3938 1 17 . 1 1 27 27 SER H H 27 8.694 8.694 8.688 0.006 17897 3939 1 17 . 1 1 28 28 ARG N N 28 115.247 115.247 122.612 -7.365 17897 3940 1 17 . 1 1 28 28 ARG HA H 28 3.779 3.779 4.093 -0.314 17897 3941 1 17 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.519 2.164 17897 3942 1 17 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.288 0.601 17897 3943 1 17 . 1 1 28 28 ARG H H 28 8.301 8.301 8.411 -0.110 17897 3944 1 17 . 1 1 29 29 GLN N N 29 117.269 117.269 117.204 0.065 17897 3945 1 17 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.097 0.140 17897 3946 1 17 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.575 1.438 17897 3947 1 17 . 1 1 29 29 GLN CB C 29 28.398 28.398 27.441 0.957 17897 3948 1 17 . 1 1 29 29 GLN H H 29 8.882 8.882 8.810 0.072 17897 3949 1 17 . 1 1 30 30 THR N N 30 119.977 119.977 117.317 2.660 17897 3950 1 17 . 1 1 30 30 THR HA H 30 4.601 4.601 4.084 0.517 17897 3951 1 17 . 1 1 30 30 THR CA C 30 68.731 68.731 65.825 2.906 17897 3952 1 17 . 1 1 30 30 THR CB C 30 67.567 67.567 68.532 -0.966 17897 3953 1 17 . 1 1 30 30 THR H H 30 8.203 8.203 7.265 0.938 17897 3954 1 17 . 1 1 31 31 ILE N N 31 118.714 118.714 122.843 -4.129 17897 3955 1 17 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.616 0.169 17897 3956 1 17 . 1 1 31 31 ILE CA C 31 62.155 62.155 65.377 -3.222 17897 3957 1 17 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.584 -1.758 17897 3958 1 17 . 1 1 31 31 ILE H H 31 7.197 7.197 8.603 -1.406 17897 3959 1 17 . 1 1 32 32 ASN N N 32 118.007 118.007 118.698 -0.691 17897 3960 1 17 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.297 0.049 17897 3961 1 17 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.951 1.107 17897 3962 1 17 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.424 1.630 17897 3963 1 17 . 1 1 32 32 ASN H H 32 8.730 8.730 9.137 -0.407 17897 3964 1 17 . 1 1 33 33 GLY N N 33 124.914 124.914 108.628 16.286 17897 3965 1 17 . 1 1 33 33 GLY H H 33 8.713 8.713 7.874 0.839 17897 3966 1 17 . 1 1 34 34 ILE N N 34 122.110 122.110 123.799 -1.689 17897 3967 1 17 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.813 0.538 17897 3968 1 17 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.005 2.438 17897 3969 1 17 . 1 1 34 34 ILE CB C 34 39.186 39.186 36.943 2.243 17897 3970 1 17 . 1 1 34 34 ILE H H 34 8.246 8.246 8.152 0.094 17897 3971 1 17 . 1 1 35 35 GLU N N 35 120.672 120.672 119.693 0.979 17897 3972 1 17 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.115 0.212 17897 3973 1 17 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.348 1.341 17897 3974 1 17 . 1 1 35 35 GLU H H 35 8.684 8.684 8.597 0.087 17897 3975 1 17 . 1 1 36 36 LYS N N 36 115.941 115.941 116.364 -0.423 17897 3976 1 17 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.103 0.509 17897 3977 1 17 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.880 -2.579 17897 3978 1 17 . 1 1 36 36 LYS H H 36 8.152 8.152 7.715 0.437 17897 3979 1 17 . 1 1 37 37 ASN N N 37 114.474 114.474 116.970 -2.496 17897 3980 1 17 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.522 0.376 17897 3981 1 17 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.618 0.442 17897 3982 1 17 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.995 -1.219 17897 3983 1 17 . 1 1 37 37 ASN H H 37 8.263 8.263 8.312 -0.049 17897 3984 1 17 . 1 1 38 38 LYS N N 38 115.022 115.022 116.717 -1.695 17897 3985 1 17 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.197 0.283 17897 3986 1 17 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.601 -0.757 17897 3987 1 17 . 1 1 38 38 LYS CB C 38 34.031 34.031 34.514 -0.483 17897 3988 1 17 . 1 1 38 38 LYS H H 38 8.789 8.789 7.933 0.856 17897 3989 1 17 . 1 1 39 39 TYR N N 39 116.894 116.894 118.666 -1.772 17897 3990 1 17 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.693 0.002 17897 3991 1 17 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.667 -0.344 17897 3992 1 17 . 1 1 39 39 TYR H H 39 7.120 7.120 7.691 -0.571 17897 3993 1 17 . 1 1 40 40 ASN N N 40 123.571 123.571 118.744 4.827 17897 3994 1 17 . 1 1 40 40 ASN H H 40 8.925 8.925 8.455 0.470 17897 3995 1 17 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.508 -0.653 17897 3996 1 17 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.130 0.442 17897 3997 1 17 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.777 0.684 17897 3998 1 17 . 1 1 42 42 SER N N 42 125.757 125.757 120.813 4.944 17897 3999 1 17 . 1 1 42 42 SER HA H 42 4.596 4.596 4.349 0.247 17897 4000 1 17 . 1 1 42 42 SER CA C 42 58.235 58.235 58.688 -0.453 17897 4001 1 17 . 1 1 42 42 SER H H 42 8.113 8.113 9.476 -1.363 17897 4002 1 17 . 1 1 43 43 LEU N N 43 120.595 120.595 125.900 -5.305 17897 4003 1 17 . 1 1 43 43 LEU HA H 43 4.027 4.027 4.015 0.012 17897 4004 1 17 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.647 0.434 17897 4005 1 17 . 1 1 43 43 LEU H H 43 9.354 9.354 8.694 0.660 17897 4006 1 17 . 1 1 44 44 GLN N N 44 116.009 116.009 117.852 -1.843 17897 4007 1 17 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.042 -0.285 17897 4008 1 17 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.151 1.589 17897 4009 1 17 . 1 1 44 44 GLN H H 44 8.964 8.964 8.404 0.560 17897 4010 1 17 . 1 1 45 45 LEU N N 45 119.443 119.443 119.177 0.266 17897 4011 1 17 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.101 -0.456 17897 4012 1 17 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.453 -2.754 17897 4013 1 17 . 1 1 45 45 LEU H H 45 8.167 8.167 7.847 0.320 17897 4014 1 17 . 1 1 46 46 ALA N N 46 120.477 120.477 122.527 -2.050 17897 4015 1 17 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.005 0.024 17897 4016 1 17 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.131 1.354 17897 4017 1 17 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.158 2.495 17897 4018 1 17 . 1 1 46 46 ALA H H 46 8.559 8.559 8.008 0.551 17897 4019 1 17 . 1 1 47 47 LEU N N 47 116.564 116.564 117.825 -1.261 17897 4020 1 17 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.926 0.256 17897 4021 1 17 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.699 0.702 17897 4022 1 17 . 1 1 47 47 LEU H H 47 8.787 8.787 8.539 0.248 17897 4023 1 17 . 1 1 48 48 LYS N N 48 121.007 121.007 118.641 2.366 17897 4024 1 17 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.146 -0.426 17897 4025 1 17 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.328 1.411 17897 4026 1 17 . 1 1 48 48 LYS H H 48 8.106 8.106 7.470 0.636 17897 4027 1 17 . 1 1 49 49 ILE N N 49 120.417 120.417 115.531 4.886 17897 4028 1 17 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.351 -0.677 17897 4029 1 17 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.496 4.148 17897 4030 1 17 . 1 1 49 49 ILE H H 49 8.831 8.831 7.994 0.837 17897 4031 1 17 . 1 1 50 50 ALA N N 50 120.372 120.372 124.704 -4.332 17897 4032 1 17 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.941 0.155 17897 4033 1 17 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.209 1.003 17897 4034 1 17 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.821 1.009 17897 4035 1 17 . 1 1 50 50 ALA H H 50 8.235 8.235 8.448 -0.213 17897 4036 1 17 . 1 1 51 51 TYR N N 51 116.980 116.980 118.405 -1.425 17897 4037 1 17 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.048 0.307 17897 4038 1 17 . 1 1 51 51 TYR CA C 51 62.332 62.332 60.993 1.339 17897 4039 1 17 . 1 1 51 51 TYR H H 51 8.209 8.209 7.646 0.563 17897 4040 1 17 . 1 1 52 52 TYR N N 52 118.569 118.569 115.407 3.162 17897 4041 1 17 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.349 -0.026 17897 4042 1 17 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.154 3.822 17897 4043 1 17 . 1 1 52 52 TYR H H 52 9.129 9.129 7.315 1.814 17897 4044 1 17 . 1 1 53 53 LEU N N 53 115.377 115.377 120.660 -5.283 17897 4045 1 17 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.285 0.302 17897 4046 1 17 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.781 0.192 17897 4047 1 17 . 1 1 53 53 LEU H H 53 8.475 8.475 8.929 -0.454 17897 4048 1 17 . 1 1 54 54 ASN N N 54 122.061 122.061 126.576 -4.515 17897 4049 1 17 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.667 -0.145 17897 4050 1 17 . 1 1 54 54 ASN CA C 54 54.568 54.568 53.065 1.503 17897 4051 1 17 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.425 1.060 17897 4052 1 17 . 1 1 54 54 ASN H H 54 8.121 8.121 8.759 -0.638 17897 4053 1 17 . 1 1 55 55 THR N N 55 114.942 114.942 117.033 -2.091 17897 4054 1 17 . 1 1 55 55 THR HA H 55 5.060 5.060 4.536 0.524 17897 4055 1 17 . 1 1 55 55 THR CA C 55 61.017 61.017 60.339 0.678 17897 4056 1 17 . 1 1 55 55 THR CB C 55 75.522 75.522 70.707 4.815 17897 4057 1 17 . 1 1 55 55 THR H H 55 8.315 8.315 8.335 -0.020 17897 4058 1 17 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.460 0.148 17897 4059 1 17 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.538 0.820 17897 4060 1 17 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.537 0.672 17897 4061 1 17 . 1 1 57 57 LEU CA C 57 60.622 60.622 57.567 3.055 17897 4062 1 17 . 1 1 58 58 GLU N N 58 123.065 123.065 118.321 4.744 17897 4063 1 17 . 1 1 58 58 GLU HA H 58 4.912 4.912 3.806 1.106 17897 4064 1 17 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.763 -0.238 17897 4065 1 17 . 1 1 58 58 GLU H H 58 9.418 9.418 8.455 0.963 17897 4066 1 17 . 1 1 59 59 ASP N N 59 117.640 117.640 119.253 -1.613 17897 4067 1 17 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.391 0.187 17897 4068 1 17 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.504 0.476 17897 4069 1 17 . 1 1 59 59 ASP H H 59 8.073 8.073 7.361 0.712 17897 4070 1 17 . 1 1 60 60 ILE N N 60 119.506 119.506 114.064 5.442 17897 4071 1 17 . 1 1 60 60 ILE H H 60 8.276 8.276 7.357 0.919 17897 4072 1 17 . 1 1 61 61 PHE N N 61 115.913 115.913 118.566 -2.653 17897 4073 1 17 . 1 1 61 61 PHE H H 61 8.567 8.567 7.688 0.879 17897 4074 1 17 . 1 1 63 63 TRP N N 63 125.522 125.522 125.095 0.427 17897 4075 1 17 . 1 1 63 63 TRP H H 63 9.524 9.524 8.936 0.588 17897 4076 1 17 . 1 1 64 64 GLN N N 64 127.251 127.251 118.876 8.375 17897 4077 1 17 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.544 4.029 17897 4078 1 17 . 1 1 64 64 GLN H H 64 8.048 8.048 8.621 -0.573 17897 4079 1 17 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.506 0.091 17897 4080 1 17 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.426 -1.397 17897 4081 1 18 . 1 1 2 2 ILE N N 2 122.866 122.866 119.727 3.139 17897 4082 1 18 . 1 1 2 2 ILE CB C 2 39.823 39.823 40.190 -0.367 17897 4083 1 18 . 1 1 2 2 ILE H H 2 9.234 9.234 8.255 0.979 17897 4084 1 18 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.273 0.207 17897 4085 1 18 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.874 -0.211 17897 4086 1 18 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.419 3.136 17897 4087 1 18 . 1 1 4 4 ASN N N 4 124.006 124.006 126.680 -2.674 17897 4088 1 18 . 1 1 4 4 ASN H H 4 9.158 9.158 8.403 0.755 17897 4089 1 18 . 1 1 6 6 LEU N N 6 120.561 120.561 120.788 -0.227 17897 4090 1 18 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.013 -0.234 17897 4091 1 18 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.375 2.224 17897 4092 1 18 . 1 1 6 6 LEU H H 6 8.637 8.637 9.120 -0.483 17897 4093 1 18 . 1 1 7 7 LYS N N 7 118.177 118.177 118.093 0.084 17897 4094 1 18 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.085 -0.114 17897 4095 1 18 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.064 2.256 17897 4096 1 18 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.660 0.774 17897 4097 1 18 . 1 1 7 7 LYS H H 7 9.010 9.010 7.563 1.447 17897 4098 1 18 . 1 1 8 8 LEU N N 8 116.280 116.280 121.041 -4.761 17897 4099 1 18 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.083 0.079 17897 4100 1 18 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.414 0.876 17897 4101 1 18 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.723 1.036 17897 4102 1 18 . 1 1 8 8 LEU H H 8 7.762 7.762 7.507 0.255 17897 4103 1 18 . 1 1 9 9 ILE N N 9 119.178 119.178 118.179 0.999 17897 4104 1 18 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.677 0.187 17897 4105 1 18 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.892 0.009 17897 4106 1 18 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.668 1.016 17897 4107 1 18 . 1 1 9 9 ILE H H 9 8.277 8.277 7.673 0.604 17897 4108 1 18 . 1 1 10 10 ARG N N 10 120.083 120.083 118.608 1.475 17897 4109 1 18 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.897 -0.019 17897 4110 1 18 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.316 1.510 17897 4111 1 18 . 1 1 10 10 ARG H H 10 9.313 9.313 7.847 1.466 17897 4112 1 18 . 1 1 11 11 GLU N N 11 115.851 115.851 119.147 -3.296 17897 4113 1 18 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.083 0.156 17897 4114 1 18 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.310 0.976 17897 4115 1 18 . 1 1 11 11 GLU H H 11 8.760 8.760 7.892 0.868 17897 4116 1 18 . 1 1 12 12 LYS N N 12 122.969 122.969 119.602 3.367 17897 4117 1 18 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.141 0.120 17897 4118 1 18 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.731 1.486 17897 4119 1 18 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.273 0.625 17897 4120 1 18 . 1 1 12 12 LYS H H 12 8.300 8.300 7.665 0.635 17897 4121 1 18 . 1 1 13 13 LYS N N 13 116.249 116.249 119.392 -3.143 17897 4122 1 18 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.258 0.055 17897 4123 1 18 . 1 1 13 13 LYS CA C 13 55.846 55.846 56.174 -0.328 17897 4124 1 18 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.706 -0.953 17897 4125 1 18 . 1 1 13 13 LYS H H 13 7.807 7.807 8.320 -0.513 17897 4126 1 18 . 1 1 14 14 LYS N N 14 115.342 115.342 115.696 -0.354 17897 4127 1 18 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.976 0.107 17897 4128 1 18 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.904 0.151 17897 4129 1 18 . 1 1 14 14 LYS H H 14 8.128 8.128 8.131 -0.003 17897 4130 1 18 . 1 1 15 15 ILE N N 15 118.385 118.385 115.219 3.166 17897 4131 1 18 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.525 0.081 17897 4132 1 18 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.414 0.389 17897 4133 1 18 . 1 1 15 15 ILE H H 15 7.601 7.601 8.078 -0.477 17897 4134 1 18 . 1 1 16 16 SER N N 16 125.109 125.109 121.735 3.374 17897 4135 1 18 . 1 1 16 16 SER HA H 16 4.582 4.582 4.607 -0.025 17897 4136 1 18 . 1 1 16 16 SER CA C 16 57.628 57.628 56.933 0.695 17897 4137 1 18 . 1 1 16 16 SER H H 16 9.528 9.528 8.492 1.036 17897 4138 1 18 . 1 1 17 17 GLN N N 17 120.159 120.159 123.530 -3.371 17897 4139 1 18 . 1 1 17 17 GLN HA H 17 3.883 3.883 3.991 -0.108 17897 4140 1 18 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.743 2.868 17897 4141 1 18 . 1 1 17 17 GLN H H 17 9.587 9.587 9.049 0.538 17897 4142 1 18 . 1 1 18 18 SER N N 18 113.031 113.031 114.745 -1.714 17897 4143 1 18 . 1 1 18 18 SER H H 18 9.072 9.072 8.629 0.443 17897 4144 1 18 . 1 1 19 19 GLU N N 19 124.022 124.022 122.042 1.980 17897 4145 1 18 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.091 0.126 17897 4146 1 18 . 1 1 19 19 GLU CA C 19 59.697 59.697 58.525 1.172 17897 4147 1 18 . 1 1 19 19 GLU H H 19 8.409 8.409 7.599 0.810 17897 4148 1 18 . 1 1 20 20 LEU N N 20 119.979 119.979 120.471 -0.492 17897 4149 1 18 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.956 0.160 17897 4150 1 18 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.725 0.670 17897 4151 1 18 . 1 1 20 20 LEU H H 20 8.381 8.381 8.190 0.191 17897 4152 1 18 . 1 1 21 21 ALA N N 21 119.822 119.822 120.986 -1.164 17897 4153 1 18 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.010 -0.395 17897 4154 1 18 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.952 -0.209 17897 4155 1 18 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.071 -0.397 17897 4156 1 18 . 1 1 21 21 ALA H H 21 8.670 8.670 8.950 -0.280 17897 4157 1 18 . 1 1 22 22 ALA N N 22 117.186 117.186 119.741 -2.555 17897 4158 1 18 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.027 0.279 17897 4159 1 18 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.292 1.240 17897 4160 1 18 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.430 0.039 17897 4161 1 18 . 1 1 22 22 ALA H H 22 7.869 7.869 7.802 0.067 17897 4162 1 18 . 1 1 23 23 LEU N N 23 118.476 118.476 117.547 0.929 17897 4163 1 18 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.980 0.109 17897 4164 1 18 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.975 1.152 17897 4165 1 18 . 1 1 23 23 LEU H H 23 7.581 7.581 7.389 0.192 17897 4166 1 18 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.162 0.150 17897 4167 1 18 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.242 0.459 17897 4168 1 18 . 1 1 25 25 GLU N N 25 114.844 114.844 114.657 0.187 17897 4169 1 18 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.964 0.120 17897 4170 1 18 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.409 0.824 17897 4171 1 18 . 1 1 25 25 GLU H H 25 8.076 8.076 7.868 0.208 17897 4172 1 18 . 1 1 26 26 VAL N N 26 109.651 109.651 110.687 -1.036 17897 4173 1 18 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.457 0.436 17897 4174 1 18 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.103 0.017 17897 4175 1 18 . 1 1 26 26 VAL H H 26 8.037 8.037 7.173 0.864 17897 4176 1 18 . 1 1 27 27 SER N N 27 114.367 114.367 117.564 -3.197 17897 4177 1 18 . 1 1 27 27 SER CB C 27 63.110 63.110 62.691 0.419 17897 4178 1 18 . 1 1 27 27 SER H H 27 8.694 8.694 8.778 -0.084 17897 4179 1 18 . 1 1 28 28 ARG N N 28 115.247 115.247 122.653 -7.406 17897 4180 1 18 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.996 -0.217 17897 4181 1 18 . 1 1 28 28 ARG CA C 28 60.683 60.683 59.024 1.659 17897 4182 1 18 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.051 0.838 17897 4183 1 18 . 1 1 28 28 ARG H H 28 8.301 8.301 8.227 0.074 17897 4184 1 18 . 1 1 29 29 GLN N N 29 117.269 117.269 116.853 0.416 17897 4185 1 18 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.042 0.195 17897 4186 1 18 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.960 1.053 17897 4187 1 18 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.356 0.042 17897 4188 1 18 . 1 1 29 29 GLN H H 29 8.882 8.882 8.358 0.524 17897 4189 1 18 . 1 1 30 30 THR N N 30 119.977 119.977 114.539 5.438 17897 4190 1 18 . 1 1 30 30 THR HA H 30 4.601 4.601 4.165 0.436 17897 4191 1 18 . 1 1 30 30 THR CA C 30 68.731 68.731 65.656 3.075 17897 4192 1 18 . 1 1 30 30 THR CB C 30 67.567 67.567 68.861 -1.294 17897 4193 1 18 . 1 1 30 30 THR H H 30 8.203 8.203 7.431 0.772 17897 4194 1 18 . 1 1 31 31 ILE N N 31 118.714 118.714 119.190 -0.476 17897 4195 1 18 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.965 -0.180 17897 4196 1 18 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.627 -1.472 17897 4197 1 18 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.297 -1.471 17897 4198 1 18 . 1 1 31 31 ILE H H 31 7.197 7.197 8.715 -1.518 17897 4199 1 18 . 1 1 32 32 ASN N N 32 118.007 118.007 120.075 -2.068 17897 4200 1 18 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.417 -0.071 17897 4201 1 18 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.594 1.464 17897 4202 1 18 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.010 2.044 17897 4203 1 18 . 1 1 32 32 ASN H H 32 8.730 8.730 8.760 -0.030 17897 4204 1 18 . 1 1 33 33 GLY N N 33 124.914 124.914 108.127 16.787 17897 4205 1 18 . 1 1 33 33 GLY H H 33 8.713 8.713 7.725 0.988 17897 4206 1 18 . 1 1 34 34 ILE N N 34 122.110 122.110 123.723 -1.613 17897 4207 1 18 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.796 0.555 17897 4208 1 18 . 1 1 34 34 ILE CA C 34 65.443 65.443 62.877 2.566 17897 4209 1 18 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.533 1.653 17897 4210 1 18 . 1 1 34 34 ILE H H 34 8.246 8.246 7.880 0.366 17897 4211 1 18 . 1 1 35 35 GLU N N 35 120.672 120.672 119.386 1.286 17897 4212 1 18 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.160 0.167 17897 4213 1 18 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.995 0.694 17897 4214 1 18 . 1 1 35 35 GLU H H 35 8.684 8.684 8.310 0.374 17897 4215 1 18 . 1 1 36 36 LYS N N 36 115.941 115.941 114.337 1.604 17897 4216 1 18 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.479 0.133 17897 4217 1 18 . 1 1 36 36 LYS CA C 36 56.301 56.301 57.880 -1.579 17897 4218 1 18 . 1 1 36 36 LYS H H 36 8.152 8.152 7.443 0.709 17897 4219 1 18 . 1 1 37 37 ASN N N 37 114.474 114.474 118.161 -3.687 17897 4220 1 18 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.489 0.409 17897 4221 1 18 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.740 0.320 17897 4222 1 18 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.946 -1.170 17897 4223 1 18 . 1 1 37 37 ASN H H 37 8.263 8.263 8.045 0.218 17897 4224 1 18 . 1 1 38 38 LYS N N 38 115.022 115.022 116.775 -1.753 17897 4225 1 18 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.143 0.337 17897 4226 1 18 . 1 1 38 38 LYS CA C 38 56.844 56.844 56.949 -0.105 17897 4227 1 18 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.959 1.072 17897 4228 1 18 . 1 1 38 38 LYS H H 38 8.789 8.789 7.606 1.183 17897 4229 1 18 . 1 1 39 39 TYR N N 39 116.894 116.894 118.187 -1.293 17897 4230 1 18 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.831 -0.136 17897 4231 1 18 . 1 1 39 39 TYR CA C 39 56.323 56.323 55.602 0.721 17897 4232 1 18 . 1 1 39 39 TYR H H 39 7.120 7.120 7.319 -0.199 17897 4233 1 18 . 1 1 40 40 ASN N N 40 123.571 123.571 117.100 6.471 17897 4234 1 18 . 1 1 40 40 ASN H H 40 8.925 8.925 8.534 0.392 17897 4235 1 18 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.417 -0.562 17897 4236 1 18 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.668 -0.096 17897 4237 1 18 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.081 0.380 17897 4238 1 18 . 1 1 42 42 SER N N 42 125.757 125.757 119.904 5.853 17897 4239 1 18 . 1 1 42 42 SER HA H 42 4.596 4.596 4.384 0.212 17897 4240 1 18 . 1 1 42 42 SER CA C 42 58.235 58.235 58.954 -0.719 17897 4241 1 18 . 1 1 42 42 SER H H 42 8.113 8.113 8.341 -0.228 17897 4242 1 18 . 1 1 43 43 LEU N N 43 120.595 120.595 128.163 -7.568 17897 4243 1 18 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.993 0.034 17897 4244 1 18 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.394 0.687 17897 4245 1 18 . 1 1 43 43 LEU H H 43 9.354 9.354 8.809 0.545 17897 4246 1 18 . 1 1 44 44 GLN N N 44 116.009 116.009 117.283 -1.274 17897 4247 1 18 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.006 -0.249 17897 4248 1 18 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.180 1.560 17897 4249 1 18 . 1 1 44 44 GLN H H 44 8.964 8.964 8.625 0.339 17897 4250 1 18 . 1 1 45 45 LEU N N 45 119.443 119.443 119.051 0.392 17897 4251 1 18 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.029 -0.384 17897 4252 1 18 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.224 -2.525 17897 4253 1 18 . 1 1 45 45 LEU H H 45 8.167 8.167 7.320 0.847 17897 4254 1 18 . 1 1 46 46 ALA N N 46 120.477 120.477 122.395 -1.918 17897 4255 1 18 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.045 -0.016 17897 4256 1 18 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.087 1.399 17897 4257 1 18 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.272 2.381 17897 4258 1 18 . 1 1 46 46 ALA H H 46 8.559 8.559 7.654 0.905 17897 4259 1 18 . 1 1 47 47 LEU N N 47 116.564 116.564 117.720 -1.156 17897 4260 1 18 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.950 0.232 17897 4261 1 18 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.229 0.172 17897 4262 1 18 . 1 1 47 47 LEU H H 47 8.787 8.787 8.352 0.435 17897 4263 1 18 . 1 1 48 48 LYS N N 48 121.007 121.007 118.279 2.728 17897 4264 1 18 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.117 -0.397 17897 4265 1 18 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.384 1.355 17897 4266 1 18 . 1 1 48 48 LYS H H 48 8.106 8.106 7.757 0.349 17897 4267 1 18 . 1 1 49 49 ILE N N 49 120.417 120.417 115.733 4.684 17897 4268 1 18 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.161 -0.487 17897 4269 1 18 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.660 3.984 17897 4270 1 18 . 1 1 49 49 ILE H H 49 8.831 8.831 7.498 1.333 17897 4271 1 18 . 1 1 50 50 ALA N N 50 120.372 120.372 124.044 -3.672 17897 4272 1 18 . 1 1 50 50 ALA HA H 50 4.096 4.096 4.040 0.056 17897 4273 1 18 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.880 1.332 17897 4274 1 18 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.856 0.974 17897 4275 1 18 . 1 1 50 50 ALA H H 50 8.235 8.235 8.686 -0.451 17897 4276 1 18 . 1 1 51 51 TYR N N 51 116.980 116.980 118.640 -1.660 17897 4277 1 18 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.127 0.228 17897 4278 1 18 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.658 0.673 17897 4279 1 18 . 1 1 51 51 TYR H H 51 8.209 8.209 7.643 0.566 17897 4280 1 18 . 1 1 52 52 TYR N N 52 118.569 118.569 118.418 0.151 17897 4281 1 18 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.356 -0.033 17897 4282 1 18 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.517 3.459 17897 4283 1 18 . 1 1 52 52 TYR H H 52 9.129 9.129 7.710 1.419 17897 4284 1 18 . 1 1 53 53 LEU N N 53 115.377 115.377 120.223 -4.846 17897 4285 1 18 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.229 0.358 17897 4286 1 18 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.474 0.499 17897 4287 1 18 . 1 1 53 53 LEU H H 53 8.475 8.475 9.027 -0.552 17897 4288 1 18 . 1 1 54 54 ASN N N 54 122.061 122.061 125.244 -3.183 17897 4289 1 18 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.449 0.073 17897 4290 1 18 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.496 0.072 17897 4291 1 18 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.723 0.762 17897 4292 1 18 . 1 1 54 54 ASN H H 54 8.121 8.121 8.497 -0.376 17897 4293 1 18 . 1 1 55 55 THR N N 55 114.942 114.942 118.875 -3.933 17897 4294 1 18 . 1 1 55 55 THR HA H 55 5.060 5.060 4.680 0.380 17897 4295 1 18 . 1 1 55 55 THR CA C 55 61.017 61.017 59.782 1.235 17897 4296 1 18 . 1 1 55 55 THR CB C 55 75.522 75.522 70.633 4.889 17897 4297 1 18 . 1 1 55 55 THR H H 55 8.315 8.315 8.260 0.055 17897 4298 1 18 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.532 0.076 17897 4299 1 18 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.796 0.562 17897 4300 1 18 . 1 1 57 57 LEU HA H 57 4.209 4.209 3.909 0.300 17897 4301 1 18 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.925 1.697 17897 4302 1 18 . 1 1 58 58 GLU N N 58 123.065 123.065 119.679 3.386 17897 4303 1 18 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.111 0.801 17897 4304 1 18 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.263 0.262 17897 4305 1 18 . 1 1 58 58 GLU H H 58 9.418 9.418 8.577 0.841 17897 4306 1 18 . 1 1 59 59 ASP N N 59 117.640 117.640 117.694 -0.054 17897 4307 1 18 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.523 0.055 17897 4308 1 18 . 1 1 59 59 ASP CA C 59 56.980 56.980 55.852 1.128 17897 4309 1 18 . 1 1 59 59 ASP H H 59 8.073 8.073 8.128 -0.055 17897 4310 1 18 . 1 1 60 60 ILE N N 60 119.506 119.506 118.550 0.956 17897 4311 1 18 . 1 1 60 60 ILE H H 60 8.276 8.276 7.548 0.728 17897 4312 1 18 . 1 1 61 61 PHE N N 61 115.913 115.913 117.694 -1.781 17897 4313 1 18 . 1 1 61 61 PHE H H 61 8.567 8.567 8.209 0.358 17897 4314 1 18 . 1 1 63 63 TRP N N 63 125.522 125.522 122.626 2.896 17897 4315 1 18 . 1 1 63 63 TRP H H 63 9.524 9.524 8.100 1.424 17897 4316 1 18 . 1 1 64 64 GLN N N 64 127.251 127.251 124.131 3.120 17897 4317 1 18 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.903 3.670 17897 4318 1 18 . 1 1 64 64 GLN H H 64 8.048 8.048 7.490 0.558 17897 4319 1 18 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.135 0.462 17897 4320 1 18 . 1 1 65 65 PRO CA C 65 62.029 62.029 64.161 -2.132 17897 4321 1 19 . 1 1 2 2 ILE N N 2 122.866 122.866 123.239 -0.373 17897 4322 1 19 . 1 1 2 2 ILE CB C 2 39.823 39.823 37.335 2.488 17897 4323 1 19 . 1 1 2 2 ILE H H 2 9.234 9.234 8.025 1.209 17897 4324 1 19 . 1 1 3 3 ILE HA H 3 4.480 4.480 3.692 0.788 17897 4325 1 19 . 1 1 3 3 ILE CA C 3 60.663 60.663 64.691 -4.028 17897 4326 1 19 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.895 2.660 17897 4327 1 19 . 1 1 4 4 ASN N N 4 124.006 124.006 120.376 3.630 17897 4328 1 19 . 1 1 4 4 ASN H H 4 9.158 9.158 7.925 1.233 17897 4329 1 19 . 1 1 6 6 LEU N N 6 120.561 120.561 123.921 -3.360 17897 4330 1 19 . 1 1 6 6 LEU HA H 6 3.779 3.779 3.981 -0.202 17897 4331 1 19 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.823 1.776 17897 4332 1 19 . 1 1 6 6 LEU H H 6 8.637 8.637 8.796 -0.159 17897 4333 1 19 . 1 1 7 7 LYS N N 7 118.177 118.177 118.612 -0.435 17897 4334 1 19 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.013 -0.042 17897 4335 1 19 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.713 1.607 17897 4336 1 19 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.840 0.593 17897 4337 1 19 . 1 1 7 7 LYS H H 7 9.010 9.010 8.792 0.218 17897 4338 1 19 . 1 1 8 8 LEU N N 8 116.280 116.280 120.639 -4.359 17897 4339 1 19 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.131 0.031 17897 4340 1 19 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.341 0.949 17897 4341 1 19 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.815 0.944 17897 4342 1 19 . 1 1 8 8 LEU H H 8 7.762 7.762 7.856 -0.094 17897 4343 1 19 . 1 1 9 9 ILE N N 9 119.178 119.178 118.539 0.639 17897 4344 1 19 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.767 0.097 17897 4345 1 19 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.623 0.278 17897 4346 1 19 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.766 0.918 17897 4347 1 19 . 1 1 9 9 ILE H H 9 8.277 8.277 8.669 -0.392 17897 4348 1 19 . 1 1 10 10 ARG N N 10 120.083 120.083 119.777 0.306 17897 4349 1 19 . 1 1 10 10 ARG HA H 10 3.878 3.878 4.114 -0.236 17897 4350 1 19 . 1 1 10 10 ARG CA C 10 61.826 61.826 58.463 3.363 17897 4351 1 19 . 1 1 10 10 ARG H H 10 9.313 9.313 8.499 0.814 17897 4352 1 19 . 1 1 11 11 GLU N N 11 115.851 115.851 118.722 -2.871 17897 4353 1 19 . 1 1 11 11 GLU HA H 11 4.239 4.239 3.971 0.268 17897 4354 1 19 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.172 1.114 17897 4355 1 19 . 1 1 11 11 GLU H H 11 8.760 8.760 8.549 0.211 17897 4356 1 19 . 1 1 12 12 LYS N N 12 122.969 122.969 120.715 2.254 17897 4357 1 19 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.100 0.161 17897 4358 1 19 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.782 1.435 17897 4359 1 19 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.353 0.545 17897 4360 1 19 . 1 1 12 12 LYS H H 12 8.300 8.300 7.533 0.767 17897 4361 1 19 . 1 1 13 13 LYS N N 13 116.249 116.249 118.295 -2.046 17897 4362 1 19 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.285 0.028 17897 4363 1 19 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.752 0.094 17897 4364 1 19 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.703 -0.950 17897 4365 1 19 . 1 1 13 13 LYS H H 13 7.807 7.807 8.112 -0.305 17897 4366 1 19 . 1 1 14 14 LYS N N 14 115.342 115.342 115.305 0.037 17897 4367 1 19 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.964 0.119 17897 4368 1 19 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.702 0.352 17897 4369 1 19 . 1 1 14 14 LYS H H 14 8.128 8.128 8.024 0.104 17897 4370 1 19 . 1 1 15 15 ILE N N 15 118.385 118.385 111.549 6.836 17897 4371 1 19 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.711 -0.105 17897 4372 1 19 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.155 0.648 17897 4373 1 19 . 1 1 15 15 ILE H H 15 7.601 7.601 7.352 0.249 17897 4374 1 19 . 1 1 16 16 SER N N 16 125.109 125.109 119.716 5.393 17897 4375 1 19 . 1 1 16 16 SER HA H 16 4.582 4.582 4.540 0.042 17897 4376 1 19 . 1 1 16 16 SER CA C 16 57.628 57.628 56.839 0.789 17897 4377 1 19 . 1 1 16 16 SER H H 16 9.528 9.528 9.461 0.067 17897 4378 1 19 . 1 1 17 17 GLN N N 17 120.159 120.159 125.223 -5.064 17897 4379 1 19 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.024 -0.141 17897 4380 1 19 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.126 3.485 17897 4381 1 19 . 1 1 17 17 GLN H H 17 9.587 9.587 9.009 0.578 17897 4382 1 19 . 1 1 18 18 SER N N 18 113.031 113.031 116.596 -3.565 17897 4383 1 19 . 1 1 18 18 SER H H 18 9.072 9.072 7.839 1.233 17897 4384 1 19 . 1 1 19 19 GLU N N 19 124.022 124.022 122.397 1.625 17897 4385 1 19 . 1 1 19 19 GLU HA H 19 4.217 4.217 3.975 0.242 17897 4386 1 19 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.247 0.450 17897 4387 1 19 . 1 1 19 19 GLU H H 19 8.409 8.409 7.965 0.444 17897 4388 1 19 . 1 1 20 20 LEU N N 20 119.979 119.979 120.210 -0.231 17897 4389 1 19 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.928 0.188 17897 4390 1 19 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.117 0.278 17897 4391 1 19 . 1 1 20 20 LEU H H 20 8.381 8.381 8.295 0.086 17897 4392 1 19 . 1 1 21 21 ALA N N 21 119.822 119.822 120.949 -1.127 17897 4393 1 19 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.002 -0.387 17897 4394 1 19 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.895 -0.152 17897 4395 1 19 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.143 -0.469 17897 4396 1 19 . 1 1 21 21 ALA H H 21 8.670 8.670 8.774 -0.104 17897 4397 1 19 . 1 1 22 22 ALA N N 22 117.186 117.186 119.877 -2.691 17897 4398 1 19 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.328 -0.022 17897 4399 1 19 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.105 1.427 17897 4400 1 19 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.378 0.091 17897 4401 1 19 . 1 1 22 22 ALA H H 22 7.869 7.869 8.210 -0.341 17897 4402 1 19 . 1 1 23 23 LEU N N 23 118.476 118.476 117.503 0.973 17897 4403 1 19 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.829 0.260 17897 4404 1 19 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.757 1.370 17897 4405 1 19 . 1 1 23 23 LEU H H 23 7.581 7.581 7.297 0.284 17897 4406 1 19 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.198 0.114 17897 4407 1 19 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.572 0.128 17897 4408 1 19 . 1 1 25 25 GLU N N 25 114.844 114.844 114.564 0.280 17897 4409 1 19 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.986 0.098 17897 4410 1 19 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.456 0.777 17897 4411 1 19 . 1 1 25 25 GLU H H 25 8.076 8.076 7.765 0.311 17897 4412 1 19 . 1 1 26 26 VAL N N 26 109.651 109.651 112.036 -2.385 17897 4413 1 19 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.463 0.430 17897 4414 1 19 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.124 -0.005 17897 4415 1 19 . 1 1 26 26 VAL H H 26 8.037 8.037 7.373 0.664 17897 4416 1 19 . 1 1 27 27 SER N N 27 114.367 114.367 117.760 -3.393 17897 4417 1 19 . 1 1 27 27 SER CB C 27 63.110 63.110 62.934 0.176 17897 4418 1 19 . 1 1 27 27 SER H H 27 8.694 8.694 8.748 -0.054 17897 4419 1 19 . 1 1 28 28 ARG N N 28 115.247 115.247 122.152 -6.905 17897 4420 1 19 . 1 1 28 28 ARG HA H 28 3.779 3.779 4.054 -0.275 17897 4421 1 19 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.611 2.072 17897 4422 1 19 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.210 0.679 17897 4423 1 19 . 1 1 28 28 ARG H H 28 8.301 8.301 8.380 -0.079 17897 4424 1 19 . 1 1 29 29 GLN N N 29 117.269 117.269 118.389 -1.120 17897 4425 1 19 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.033 0.204 17897 4426 1 19 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.634 0.379 17897 4427 1 19 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.038 0.360 17897 4428 1 19 . 1 1 29 29 GLN H H 29 8.882 8.882 8.929 -0.047 17897 4429 1 19 . 1 1 30 30 THR N N 30 119.977 119.977 117.556 2.421 17897 4430 1 19 . 1 1 30 30 THR HA H 30 4.601 4.601 4.037 0.564 17897 4431 1 19 . 1 1 30 30 THR CA C 30 68.731 68.731 66.810 1.921 17897 4432 1 19 . 1 1 30 30 THR CB C 30 67.567 67.567 68.177 -0.610 17897 4433 1 19 . 1 1 30 30 THR H H 30 8.203 8.203 8.063 0.140 17897 4434 1 19 . 1 1 31 31 ILE N N 31 118.714 118.714 121.884 -3.170 17897 4435 1 19 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.622 0.163 17897 4436 1 19 . 1 1 31 31 ILE CA C 31 62.155 62.155 65.903 -3.748 17897 4437 1 19 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.599 -1.773 17897 4438 1 19 . 1 1 31 31 ILE H H 31 7.197 7.197 8.067 -0.870 17897 4439 1 19 . 1 1 32 32 ASN N N 32 118.007 118.007 118.727 -0.720 17897 4440 1 19 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.453 -0.107 17897 4441 1 19 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.586 1.472 17897 4442 1 19 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.124 1.930 17897 4443 1 19 . 1 1 32 32 ASN H H 32 8.730 8.730 8.977 -0.247 17897 4444 1 19 . 1 1 33 33 GLY N N 33 124.914 124.914 108.808 16.106 17897 4445 1 19 . 1 1 33 33 GLY H H 33 8.713 8.713 8.542 0.171 17897 4446 1 19 . 1 1 34 34 ILE N N 34 122.110 122.110 121.836 0.274 17897 4447 1 19 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.877 0.474 17897 4448 1 19 . 1 1 34 34 ILE CA C 34 65.443 65.443 62.748 2.695 17897 4449 1 19 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.958 1.228 17897 4450 1 19 . 1 1 34 34 ILE H H 34 8.246 8.246 8.006 0.240 17897 4451 1 19 . 1 1 35 35 GLU N N 35 120.672 120.672 120.165 0.507 17897 4452 1 19 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.212 0.115 17897 4453 1 19 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.771 0.918 17897 4454 1 19 . 1 1 35 35 GLU H H 35 8.684 8.684 9.013 -0.329 17897 4455 1 19 . 1 1 36 36 LYS N N 36 115.941 115.941 118.429 -2.488 17897 4456 1 19 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.319 0.293 17897 4457 1 19 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.827 -2.526 17897 4458 1 19 . 1 1 36 36 LYS H H 36 8.152 8.152 8.732 -0.580 17897 4459 1 19 . 1 1 37 37 ASN N N 37 114.474 114.474 118.799 -4.325 17897 4460 1 19 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.448 0.450 17897 4461 1 19 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.662 0.398 17897 4462 1 19 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.537 -0.761 17897 4463 1 19 . 1 1 37 37 ASN H H 37 8.263 8.263 7.656 0.607 17897 4464 1 19 . 1 1 38 38 LYS N N 38 115.022 115.022 117.863 -2.841 17897 4465 1 19 . 1 1 38 38 LYS HA H 38 4.480 4.480 3.971 0.509 17897 4466 1 19 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.937 -1.093 17897 4467 1 19 . 1 1 38 38 LYS CB C 38 34.031 34.031 32.905 1.126 17897 4468 1 19 . 1 1 38 38 LYS H H 38 8.789 8.789 7.746 1.043 17897 4469 1 19 . 1 1 39 39 TYR N N 39 116.894 116.894 117.000 -0.106 17897 4470 1 19 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.734 -0.039 17897 4471 1 19 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.057 0.266 17897 4472 1 19 . 1 1 39 39 TYR H H 39 7.120 7.120 7.680 -0.560 17897 4473 1 19 . 1 1 40 40 ASN N N 40 123.571 123.571 118.221 5.350 17897 4474 1 19 . 1 1 40 40 ASN H H 40 8.925 8.925 8.447 0.478 17897 4475 1 19 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.400 -0.545 17897 4476 1 19 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.569 0.003 17897 4477 1 19 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.068 0.393 17897 4478 1 19 . 1 1 42 42 SER N N 42 125.757 125.757 117.973 7.784 17897 4479 1 19 . 1 1 42 42 SER HA H 42 4.596 4.596 4.406 0.190 17897 4480 1 19 . 1 1 42 42 SER CA C 42 58.235 58.235 59.121 -0.886 17897 4481 1 19 . 1 1 42 42 SER H H 42 8.113 8.113 8.667 -0.554 17897 4482 1 19 . 1 1 43 43 LEU N N 43 120.595 120.595 127.521 -6.926 17897 4483 1 19 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.887 0.140 17897 4484 1 19 . 1 1 43 43 LEU CA C 43 59.081 59.081 59.122 -0.041 17897 4485 1 19 . 1 1 43 43 LEU H H 43 9.354 9.354 8.754 0.600 17897 4486 1 19 . 1 1 44 44 GLN N N 44 116.009 116.009 119.081 -3.072 17897 4487 1 19 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.077 -0.320 17897 4488 1 19 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.165 1.575 17897 4489 1 19 . 1 1 44 44 GLN H H 44 8.964 8.964 8.587 0.377 17897 4490 1 19 . 1 1 45 45 LEU N N 45 119.443 119.443 119.198 0.245 17897 4491 1 19 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.040 -0.395 17897 4492 1 19 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.183 -2.484 17897 4493 1 19 . 1 1 45 45 LEU H H 45 8.167 8.167 7.994 0.173 17897 4494 1 19 . 1 1 46 46 ALA N N 46 120.477 120.477 122.910 -2.433 17897 4495 1 19 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.009 0.020 17897 4496 1 19 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.327 1.158 17897 4497 1 19 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.146 2.507 17897 4498 1 19 . 1 1 46 46 ALA H H 46 8.559 8.559 8.453 0.106 17897 4499 1 19 . 1 1 47 47 LEU N N 47 116.564 116.564 118.115 -1.551 17897 4500 1 19 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.840 0.342 17897 4501 1 19 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.941 0.460 17897 4502 1 19 . 1 1 47 47 LEU H H 47 8.787 8.787 8.811 -0.024 17897 4503 1 19 . 1 1 48 48 LYS N N 48 121.007 121.007 119.113 1.894 17897 4504 1 19 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.075 -0.355 17897 4505 1 19 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.382 1.357 17897 4506 1 19 . 1 1 48 48 LYS H H 48 8.106 8.106 7.303 0.803 17897 4507 1 19 . 1 1 49 49 ILE N N 49 120.417 120.417 121.158 -0.741 17897 4508 1 19 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.038 -0.364 17897 4509 1 19 . 1 1 49 49 ILE CA C 49 67.644 67.644 65.017 2.627 17897 4510 1 19 . 1 1 49 49 ILE H H 49 8.831 8.831 8.452 0.379 17897 4511 1 19 . 1 1 50 50 ALA N N 50 120.372 120.372 122.210 -1.838 17897 4512 1 19 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.967 0.129 17897 4513 1 19 . 1 1 50 50 ALA CA C 50 56.212 56.212 55.062 1.150 17897 4514 1 19 . 1 1 50 50 ALA CB C 50 18.830 18.830 18.063 0.767 17897 4515 1 19 . 1 1 50 50 ALA H H 50 8.235 8.235 8.812 -0.577 17897 4516 1 19 . 1 1 51 51 TYR N N 51 116.980 116.980 118.753 -1.773 17897 4517 1 19 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.085 0.270 17897 4518 1 19 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.098 1.234 17897 4519 1 19 . 1 1 51 51 TYR H H 51 8.209 8.209 7.513 0.696 17897 4520 1 19 . 1 1 52 52 TYR N N 52 118.569 118.569 115.656 2.913 17897 4521 1 19 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.197 0.126 17897 4522 1 19 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.827 3.149 17897 4523 1 19 . 1 1 52 52 TYR H H 52 9.129 9.129 8.019 1.110 17897 4524 1 19 . 1 1 53 53 LEU N N 53 115.377 115.377 119.480 -4.103 17897 4525 1 19 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.277 0.310 17897 4526 1 19 . 1 1 53 53 LEU CA C 53 54.973 54.973 54.536 0.437 17897 4527 1 19 . 1 1 53 53 LEU H H 53 8.475 8.475 7.482 0.993 17897 4528 1 19 . 1 1 54 54 ASN N N 54 122.061 122.061 123.559 -1.498 17897 4529 1 19 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.681 -0.159 17897 4530 1 19 . 1 1 54 54 ASN CA C 54 54.568 54.568 52.707 1.861 17897 4531 1 19 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.552 0.933 17897 4532 1 19 . 1 1 54 54 ASN H H 54 8.121 8.121 8.784 -0.663 17897 4533 1 19 . 1 1 55 55 THR N N 55 114.942 114.942 118.109 -3.167 17897 4534 1 19 . 1 1 55 55 THR HA H 55 5.060 5.060 4.546 0.514 17897 4535 1 19 . 1 1 55 55 THR CA C 55 61.017 61.017 60.455 0.562 17897 4536 1 19 . 1 1 55 55 THR CB C 55 75.522 75.522 71.175 4.347 17897 4537 1 19 . 1 1 55 55 THR H H 55 8.315 8.315 7.653 0.662 17897 4538 1 19 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.561 0.047 17897 4539 1 19 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.573 0.785 17897 4540 1 19 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.480 -0.271 17897 4541 1 19 . 1 1 57 57 LEU CA C 57 60.622 60.622 55.785 4.837 17897 4542 1 19 . 1 1 58 58 GLU N N 58 123.065 123.065 119.943 3.122 17897 4543 1 19 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.112 0.800 17897 4544 1 19 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.467 0.058 17897 4545 1 19 . 1 1 58 58 GLU H H 58 9.418 9.418 8.517 0.901 17897 4546 1 19 . 1 1 59 59 ASP N N 59 117.640 117.640 117.568 0.072 17897 4547 1 19 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.578 0.000 17897 4548 1 19 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.712 0.268 17897 4549 1 19 . 1 1 59 59 ASP H H 59 8.073 8.073 8.630 -0.557 17897 4550 1 19 . 1 1 60 60 ILE N N 60 119.506 119.506 113.832 5.674 17897 4551 1 19 . 1 1 60 60 ILE H H 60 8.276 8.276 7.403 0.873 17897 4552 1 19 . 1 1 61 61 PHE N N 61 115.913 115.913 120.567 -4.654 17897 4553 1 19 . 1 1 61 61 PHE H H 61 8.567 8.567 8.242 0.326 17897 4554 1 19 . 1 1 63 63 TRP N N 63 125.522 125.522 118.431 7.091 17897 4555 1 19 . 1 1 63 63 TRP H H 63 9.524 9.524 7.422 2.102 17897 4556 1 19 . 1 1 64 64 GLN N N 64 127.251 127.251 119.171 8.080 17897 4557 1 19 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.201 2.372 17897 4558 1 19 . 1 1 64 64 GLN H H 64 8.048 8.048 7.935 0.113 17897 4559 1 19 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.563 0.034 17897 4560 1 19 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.012 -0.983 17897 4561 1 20 . 1 1 2 2 ILE N N 2 122.866 122.866 121.847 1.019 17897 4562 1 20 . 1 1 2 2 ILE CB C 2 39.823 39.823 37.263 2.560 17897 4563 1 20 . 1 1 2 2 ILE H H 2 9.234 9.234 8.094 1.140 17897 4564 1 20 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.309 0.171 17897 4565 1 20 . 1 1 3 3 ILE CA C 3 60.663 60.663 60.278 0.385 17897 4566 1 20 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.908 0.647 17897 4567 1 20 . 1 1 4 4 ASN N N 4 124.006 124.006 120.845 3.161 17897 4568 1 20 . 1 1 4 4 ASN H H 4 9.158 9.158 8.528 0.630 17897 4569 1 20 . 1 1 6 6 LEU N N 6 120.561 120.561 121.777 -1.216 17897 4570 1 20 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.098 -0.319 17897 4571 1 20 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.027 2.572 17897 4572 1 20 . 1 1 6 6 LEU H H 6 8.637 8.637 8.521 0.117 17897 4573 1 20 . 1 1 7 7 LYS N N 7 118.177 118.177 119.774 -1.597 17897 4574 1 20 . 1 1 7 7 LYS HA H 7 3.971 3.971 3.986 -0.015 17897 4575 1 20 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.690 1.630 17897 4576 1 20 . 1 1 7 7 LYS CB C 7 32.434 32.434 32.219 0.214 17897 4577 1 20 . 1 1 7 7 LYS H H 7 9.010 9.010 9.015 -0.005 17897 4578 1 20 . 1 1 8 8 LEU N N 8 116.280 116.280 121.487 -5.207 17897 4579 1 20 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.031 0.131 17897 4580 1 20 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.571 0.719 17897 4581 1 20 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.942 0.817 17897 4582 1 20 . 1 1 8 8 LEU H H 8 7.762 7.762 8.858 -1.096 17897 4583 1 20 . 1 1 9 9 ILE N N 9 119.178 119.178 117.674 1.504 17897 4584 1 20 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.743 0.121 17897 4585 1 20 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.694 0.207 17897 4586 1 20 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.384 1.300 17897 4587 1 20 . 1 1 9 9 ILE H H 9 8.277 8.277 8.666 -0.389 17897 4588 1 20 . 1 1 10 10 ARG N N 10 120.083 120.083 119.411 0.672 17897 4589 1 20 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.930 -0.052 17897 4590 1 20 . 1 1 10 10 ARG CA C 10 61.826 61.826 60.460 1.366 17897 4591 1 20 . 1 1 10 10 ARG H H 10 9.313 9.313 7.641 1.672 17897 4592 1 20 . 1 1 11 11 GLU N N 11 115.851 115.851 119.326 -3.475 17897 4593 1 20 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.127 0.112 17897 4594 1 20 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.946 1.340 17897 4595 1 20 . 1 1 11 11 GLU H H 11 8.760 8.760 8.075 0.685 17897 4596 1 20 . 1 1 12 12 LYS N N 12 122.969 122.969 121.510 1.459 17897 4597 1 20 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.109 0.152 17897 4598 1 20 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.935 1.282 17897 4599 1 20 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.497 0.401 17897 4600 1 20 . 1 1 12 12 LYS H H 12 8.300 8.300 7.888 0.412 17897 4601 1 20 . 1 1 13 13 LYS N N 13 116.249 116.249 117.091 -0.842 17897 4602 1 20 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.212 0.101 17897 4603 1 20 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.913 -0.067 17897 4604 1 20 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.585 -0.832 17897 4605 1 20 . 1 1 13 13 LYS H H 13 7.807 7.807 8.317 -0.510 17897 4606 1 20 . 1 1 14 14 LYS N N 14 115.342 115.342 116.698 -1.356 17897 4607 1 20 . 1 1 14 14 LYS HA H 14 4.083 4.083 4.012 0.071 17897 4608 1 20 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.492 0.562 17897 4609 1 20 . 1 1 14 14 LYS H H 14 8.128 8.128 8.094 0.034 17897 4610 1 20 . 1 1 15 15 ILE N N 15 118.385 118.385 112.185 6.200 17897 4611 1 20 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.752 -0.146 17897 4612 1 20 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.275 0.528 17897 4613 1 20 . 1 1 15 15 ILE H H 15 7.601 7.601 8.264 -0.663 17897 4614 1 20 . 1 1 16 16 SER N N 16 125.109 125.109 116.985 8.124 17897 4615 1 20 . 1 1 16 16 SER HA H 16 4.582 4.582 4.622 -0.040 17897 4616 1 20 . 1 1 16 16 SER CA C 16 57.628 57.628 57.045 0.582 17897 4617 1 20 . 1 1 16 16 SER H H 16 9.528 9.528 9.393 0.135 17897 4618 1 20 . 1 1 17 17 GLN N N 17 120.159 120.159 122.426 -2.267 17897 4619 1 20 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.081 -0.198 17897 4620 1 20 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.556 3.055 17897 4621 1 20 . 1 1 17 17 GLN H H 17 9.587 9.587 8.896 0.691 17897 4622 1 20 . 1 1 18 18 SER N N 18 113.031 113.031 114.897 -1.866 17897 4623 1 20 . 1 1 18 18 SER H H 18 9.072 9.072 8.459 0.613 17897 4624 1 20 . 1 1 19 19 GLU N N 19 124.022 124.022 122.238 1.784 17897 4625 1 20 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.021 0.196 17897 4626 1 20 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.242 0.455 17897 4627 1 20 . 1 1 19 19 GLU H H 19 8.409 8.409 8.197 0.212 17897 4628 1 20 . 1 1 20 20 LEU N N 20 119.979 119.979 119.608 0.371 17897 4629 1 20 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.969 0.147 17897 4630 1 20 . 1 1 20 20 LEU CA C 20 58.395 58.395 58.186 0.209 17897 4631 1 20 . 1 1 20 20 LEU H H 20 8.381 8.381 7.639 0.742 17897 4632 1 20 . 1 1 21 21 ALA N N 21 119.822 119.822 121.264 -1.442 17897 4633 1 20 . 1 1 21 21 ALA HA H 21 3.615 3.615 3.979 -0.364 17897 4634 1 20 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.893 -0.150 17897 4635 1 20 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.011 -0.337 17897 4636 1 20 . 1 1 21 21 ALA H H 21 8.670 8.670 7.848 0.822 17897 4637 1 20 . 1 1 22 22 ALA N N 22 117.186 117.186 121.045 -3.859 17897 4638 1 20 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.043 0.263 17897 4639 1 20 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.745 0.787 17897 4640 1 20 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.123 0.346 17897 4641 1 20 . 1 1 22 22 ALA H H 22 7.869 7.869 8.635 -0.766 17897 4642 1 20 . 1 1 23 23 LEU N N 23 118.476 118.476 116.126 2.350 17897 4643 1 20 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.971 0.118 17897 4644 1 20 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.575 1.552 17897 4645 1 20 . 1 1 23 23 LEU H H 23 7.581 7.581 7.182 0.399 17897 4646 1 20 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.229 0.083 17897 4647 1 20 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.551 0.149 17897 4648 1 20 . 1 1 25 25 GLU N N 25 114.844 114.844 114.241 0.603 17897 4649 1 20 . 1 1 25 25 GLU HA H 25 4.084 4.084 4.008 0.076 17897 4650 1 20 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.374 0.859 17897 4651 1 20 . 1 1 25 25 GLU H H 25 8.076 8.076 8.139 -0.063 17897 4652 1 20 . 1 1 26 26 VAL N N 26 109.651 109.651 112.457 -2.806 17897 4653 1 20 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.635 0.258 17897 4654 1 20 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.227 -0.107 17897 4655 1 20 . 1 1 26 26 VAL H H 26 8.037 8.037 7.400 0.637 17897 4656 1 20 . 1 1 27 27 SER N N 27 114.367 114.367 115.299 -0.932 17897 4657 1 20 . 1 1 27 27 SER CB C 27 63.110 63.110 63.177 -0.067 17897 4658 1 20 . 1 1 27 27 SER H H 27 8.694 8.694 8.735 -0.041 17897 4659 1 20 . 1 1 28 28 ARG N N 28 115.247 115.247 123.063 -7.816 17897 4660 1 20 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.934 -0.155 17897 4661 1 20 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.961 1.722 17897 4662 1 20 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.164 0.725 17897 4663 1 20 . 1 1 28 28 ARG H H 28 8.301 8.301 8.276 0.025 17897 4664 1 20 . 1 1 29 29 GLN N N 29 117.269 117.269 116.797 0.472 17897 4665 1 20 . 1 1 29 29 GLN HA H 29 4.237 4.237 3.983 0.254 17897 4666 1 20 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.776 1.237 17897 4667 1 20 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.193 0.205 17897 4668 1 20 . 1 1 29 29 GLN H H 29 8.882 8.882 7.876 1.006 17897 4669 1 20 . 1 1 30 30 THR N N 30 119.977 119.977 116.332 3.645 17897 4670 1 20 . 1 1 30 30 THR HA H 30 4.601 4.601 4.065 0.536 17897 4671 1 20 . 1 1 30 30 THR CA C 30 68.731 68.731 66.547 2.184 17897 4672 1 20 . 1 1 30 30 THR CB C 30 67.567 67.567 68.605 -1.038 17897 4673 1 20 . 1 1 30 30 THR H H 30 8.203 8.203 8.467 -0.264 17897 4674 1 20 . 1 1 31 31 ILE N N 31 118.714 118.714 119.251 -0.537 17897 4675 1 20 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.851 -0.066 17897 4676 1 20 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.774 -1.619 17897 4677 1 20 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.266 -1.440 17897 4678 1 20 . 1 1 31 31 ILE H H 31 7.197 7.197 7.400 -0.203 17897 4679 1 20 . 1 1 32 32 ASN N N 32 118.007 118.007 120.119 -2.112 17897 4680 1 20 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.418 -0.072 17897 4681 1 20 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.993 1.065 17897 4682 1 20 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.182 1.872 17897 4683 1 20 . 1 1 32 32 ASN H H 32 8.730 8.730 8.603 0.127 17897 4684 1 20 . 1 1 33 33 GLY N N 33 124.914 124.914 108.676 16.238 17897 4685 1 20 . 1 1 33 33 GLY H H 33 8.713 8.713 7.878 0.835 17897 4686 1 20 . 1 1 34 34 ILE N N 34 122.110 122.110 122.556 -0.446 17897 4687 1 20 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.838 0.513 17897 4688 1 20 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.484 1.959 17897 4689 1 20 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.719 1.467 17897 4690 1 20 . 1 1 34 34 ILE H H 34 8.246 8.246 7.374 0.872 17897 4691 1 20 . 1 1 35 35 GLU N N 35 120.672 120.672 120.097 0.575 17897 4692 1 20 . 1 1 35 35 GLU HA H 35 4.327 4.327 3.884 0.443 17897 4693 1 20 . 1 1 35 35 GLU CA C 35 60.689 60.689 60.214 0.475 17897 4694 1 20 . 1 1 35 35 GLU H H 35 8.684 8.684 8.761 -0.077 17897 4695 1 20 . 1 1 36 36 LYS N N 36 115.941 115.941 119.076 -3.135 17897 4696 1 20 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.241 0.371 17897 4697 1 20 . 1 1 36 36 LYS CA C 36 56.301 56.301 59.009 -2.708 17897 4698 1 20 . 1 1 36 36 LYS H H 36 8.152 8.152 8.853 -0.701 17897 4699 1 20 . 1 1 37 37 ASN N N 37 114.474 114.474 118.248 -3.774 17897 4700 1 20 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.377 0.521 17897 4701 1 20 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.943 0.117 17897 4702 1 20 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.485 -0.709 17897 4703 1 20 . 1 1 37 37 ASN H H 37 8.263 8.263 7.853 0.410 17897 4704 1 20 . 1 1 38 38 LYS N N 38 115.022 115.022 117.580 -2.558 17897 4705 1 20 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.080 0.400 17897 4706 1 20 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.350 -0.506 17897 4707 1 20 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.626 0.405 17897 4708 1 20 . 1 1 38 38 LYS H H 38 8.789 8.789 7.288 1.501 17897 4709 1 20 . 1 1 39 39 TYR N N 39 116.894 116.894 117.952 -1.058 17897 4710 1 20 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.627 0.068 17897 4711 1 20 . 1 1 39 39 TYR CA C 39 56.323 56.323 55.395 0.928 17897 4712 1 20 . 1 1 39 39 TYR H H 39 7.120 7.120 7.682 -0.562 17897 4713 1 20 . 1 1 40 40 ASN N N 40 123.571 123.571 116.836 6.735 17897 4714 1 20 . 1 1 40 40 ASN H H 40 8.925 8.925 8.560 0.365 17897 4715 1 20 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.456 -0.601 17897 4716 1 20 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.314 0.258 17897 4717 1 20 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.148 0.313 17897 4718 1 20 . 1 1 42 42 SER N N 42 125.757 125.757 118.499 7.258 17897 4719 1 20 . 1 1 42 42 SER HA H 42 4.596 4.596 4.396 0.200 17897 4720 1 20 . 1 1 42 42 SER CA C 42 58.235 58.235 58.596 -0.361 17897 4721 1 20 . 1 1 42 42 SER H H 42 8.113 8.113 8.673 -0.560 17897 4722 1 20 . 1 1 43 43 LEU N N 43 120.595 120.595 126.514 -5.919 17897 4723 1 20 . 1 1 43 43 LEU HA H 43 4.027 4.027 4.070 -0.043 17897 4724 1 20 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.786 0.295 17897 4725 1 20 . 1 1 43 43 LEU H H 43 9.354 9.354 8.967 0.387 17897 4726 1 20 . 1 1 44 44 GLN N N 44 116.009 116.009 117.935 -1.926 17897 4727 1 20 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.057 -0.300 17897 4728 1 20 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.099 1.641 17897 4729 1 20 . 1 1 44 44 GLN H H 44 8.964 8.964 8.693 0.271 17897 4730 1 20 . 1 1 45 45 LEU N N 45 119.443 119.443 119.111 0.332 17897 4731 1 20 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.064 -0.419 17897 4732 1 20 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.011 -2.312 17897 4733 1 20 . 1 1 45 45 LEU H H 45 8.167 8.167 7.328 0.839 17897 4734 1 20 . 1 1 46 46 ALA N N 46 120.477 120.477 122.785 -2.308 17897 4735 1 20 . 1 1 46 46 ALA HA H 46 4.029 4.029 3.997 0.032 17897 4736 1 20 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.092 1.393 17897 4737 1 20 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.207 2.446 17897 4738 1 20 . 1 1 46 46 ALA H H 46 8.559 8.559 8.454 0.105 17897 4739 1 20 . 1 1 47 47 LEU N N 47 116.564 116.564 118.620 -2.056 17897 4740 1 20 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.786 0.396 17897 4741 1 20 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.705 -0.304 17897 4742 1 20 . 1 1 47 47 LEU H H 47 8.787 8.787 8.884 -0.097 17897 4743 1 20 . 1 1 48 48 LYS N N 48 121.007 121.007 118.287 2.720 17897 4744 1 20 . 1 1 48 48 LYS HA H 48 3.720 3.720 3.621 0.099 17897 4745 1 20 . 1 1 48 48 LYS CA C 48 60.739 60.739 58.975 1.764 17897 4746 1 20 . 1 1 48 48 LYS H H 48 8.106 8.106 7.318 0.788 17897 4747 1 20 . 1 1 49 49 ILE N N 49 120.417 120.417 121.157 -0.740 17897 4748 1 20 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.804 -0.130 17897 4749 1 20 . 1 1 49 49 ILE CA C 49 67.644 67.644 62.775 4.869 17897 4750 1 20 . 1 1 49 49 ILE H H 49 8.831 8.831 7.574 1.257 17897 4751 1 20 . 1 1 50 50 ALA N N 50 120.372 120.372 122.416 -2.044 17897 4752 1 20 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.994 0.102 17897 4753 1 20 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.638 1.574 17897 4754 1 20 . 1 1 50 50 ALA CB C 50 18.830 18.830 18.252 0.578 17897 4755 1 20 . 1 1 50 50 ALA H H 50 8.235 8.235 8.477 -0.242 17897 4756 1 20 . 1 1 51 51 TYR N N 51 116.980 116.980 115.836 1.144 17897 4757 1 20 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.292 0.063 17897 4758 1 20 . 1 1 51 51 TYR CA C 51 62.332 62.332 60.312 2.020 17897 4759 1 20 . 1 1 51 51 TYR H H 51 8.209 8.209 7.283 0.926 17897 4760 1 20 . 1 1 52 52 TYR N N 52 118.569 118.569 116.251 2.318 17897 4761 1 20 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.578 -0.255 17897 4762 1 20 . 1 1 52 52 TYR CA C 52 63.976 63.976 58.756 5.220 17897 4763 1 20 . 1 1 52 52 TYR H H 52 9.129 9.129 8.602 0.527 17897 4764 1 20 . 1 1 53 53 LEU N N 53 115.377 115.377 118.048 -2.671 17897 4765 1 20 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.059 0.528 17897 4766 1 20 . 1 1 53 53 LEU CA C 53 54.973 54.973 55.928 -0.955 17897 4767 1 20 . 1 1 53 53 LEU H H 53 8.475 8.475 8.492 -0.017 17897 4768 1 20 . 1 1 54 54 ASN N N 54 122.061 122.061 120.539 1.522 17897 4769 1 20 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.872 -0.350 17897 4770 1 20 . 1 1 54 54 ASN CA C 54 54.568 54.568 53.061 1.507 17897 4771 1 20 . 1 1 54 54 ASN CB C 54 38.485 38.485 38.979 -0.494 17897 4772 1 20 . 1 1 54 54 ASN H H 54 8.121 8.121 8.510 -0.389 17897 4773 1 20 . 1 1 55 55 THR N N 55 114.942 114.942 116.792 -1.850 17897 4774 1 20 . 1 1 55 55 THR HA H 55 5.060 5.060 4.537 0.523 17897 4775 1 20 . 1 1 55 55 THR CA C 55 61.017 61.017 59.568 1.449 17897 4776 1 20 . 1 1 55 55 THR CB C 55 75.522 75.522 70.357 5.165 17897 4777 1 20 . 1 1 55 55 THR H H 55 8.315 8.315 7.707 0.608 17897 4778 1 20 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.645 -0.037 17897 4779 1 20 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.644 0.714 17897 4780 1 20 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.048 0.161 17897 4781 1 20 . 1 1 57 57 LEU CA C 57 60.622 60.622 57.855 2.767 17897 4782 1 20 . 1 1 58 58 GLU N N 58 123.065 123.065 118.538 4.527 17897 4783 1 20 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.130 0.782 17897 4784 1 20 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.300 0.225 17897 4785 1 20 . 1 1 58 58 GLU H H 58 9.418 9.418 8.763 0.655 17897 4786 1 20 . 1 1 59 59 ASP N N 59 117.640 117.640 119.383 -1.743 17897 4787 1 20 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.438 0.140 17897 4788 1 20 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.467 0.513 17897 4789 1 20 . 1 1 59 59 ASP H H 59 8.073 8.073 7.573 0.500 17897 4790 1 20 . 1 1 60 60 ILE N N 60 119.506 119.506 118.052 1.454 17897 4791 1 20 . 1 1 60 60 ILE H H 60 8.276 8.276 7.582 0.694 17897 4792 1 20 . 1 1 61 61 PHE N N 61 115.913 115.913 116.693 -0.780 17897 4793 1 20 . 1 1 61 61 PHE H H 61 8.567 8.567 7.393 1.174 17897 4794 1 20 . 1 1 63 63 TRP N N 63 125.522 125.522 121.721 3.801 17897 4795 1 20 . 1 1 63 63 TRP H H 63 9.524 9.524 7.409 2.115 17897 4796 1 20 . 1 1 64 64 GLN N N 64 127.251 127.251 117.742 9.509 17897 4797 1 20 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.858 3.715 17897 4798 1 20 . 1 1 64 64 GLN H H 64 8.048 8.048 8.721 -0.673 17897 4799 1 20 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.429 0.168 17897 4800 1 20 . 1 1 65 65 PRO CA C 65 62.029 62.029 62.541 -0.512 17897 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 56 4.509 -0.534 4.518 17897 2 1 1 "Average Difference" HA 52 0.297 -0.106 0.280 17897 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17897 4 1 1 "Average Difference" CA 52 1.530 -0.663 1.392 17897 5 1 1 "Average Difference" CB 24 1.792 -0.884 1.592 17897 6 1 1 "Average Difference" HN 56 0.632 -0.311 0.555 17897 7 1 2 "Average Difference" N 56 4.563 -0.168 4.601 17897 8 1 2 "Average Difference" HA 52 0.299 -0.088 0.288 17897 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17897 10 1 2 "Average Difference" CA 52 1.618 -0.629 1.505 17897 11 1 2 "Average Difference" CB 24 1.528 -0.609 1.431 17897 12 1 2 "Average Difference" HN 56 0.703 -0.293 0.644 17897 13 1 3 "Average Difference" N 56 3.899 0.071 3.934 17897 14 1 3 "Average Difference" HA 52 0.332 -0.119 0.312 17897 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17897 16 1 3 "Average Difference" CA 52 1.477 -0.686 1.321 17897 17 1 3 "Average Difference" CB 24 2.050 -1.101 1.767 17897 18 1 3 "Average Difference" HN 56 0.641 -0.222 0.606 17897 19 1 4 "Average Difference" N 56 4.039 -0.129 4.074 17897 20 1 4 "Average Difference" HA 52 0.337 -0.074 0.332 17897 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17897 22 1 4 "Average Difference" CA 52 1.727 -0.756 1.568 17897 23 1 4 "Average Difference" CB 24 1.733 -0.588 1.665 17897 24 1 4 "Average Difference" HN 56 0.676 -0.398 0.551 17897 25 1 5 "Average Difference" N 56 4.041 -0.112 4.076 17897 26 1 5 "Average Difference" HA 52 0.312 -0.109 0.295 17897 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17897 28 1 5 "Average Difference" CA 52 1.584 -0.624 1.470 17897 29 1 5 "Average Difference" CB 24 1.846 -0.942 1.621 17897 30 1 5 "Average Difference" HN 56 0.666 -0.345 0.575 17897 31 1 6 "Average Difference" N 56 4.123 0.107 4.159 17897 32 1 6 "Average Difference" HA 52 0.301 -0.096 0.288 17897 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17897 34 1 6 "Average Difference" CA 52 1.562 -0.675 1.423 17897 35 1 6 "Average Difference" CB 24 1.685 -0.846 1.489 17897 36 1 6 "Average Difference" HN 56 0.640 -0.219 0.607 17897 37 1 7 "Average Difference" N 56 4.168 0.018 4.206 17897 38 1 7 "Average Difference" HA 52 0.280 -0.076 0.272 17897 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17897 40 1 7 "Average Difference" CA 52 1.560 -0.818 1.341 17897 41 1 7 "Average Difference" CB 24 1.701 -0.837 1.512 17897 42 1 7 "Average Difference" HN 56 0.709 -0.375 0.606 17897 43 1 8 "Average Difference" N 56 4.070 -0.163 4.104 17897 44 1 8 "Average Difference" HA 52 0.306 -0.100 0.291 17897 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17897 46 1 8 "Average Difference" CA 52 1.555 -0.705 1.400 17897 47 1 8 "Average Difference" CB 24 1.629 -0.802 1.449 17897 48 1 8 "Average Difference" HN 56 0.708 -0.317 0.639 17897 49 1 9 "Average Difference" N 56 3.834 0.249 3.861 17897 50 1 9 "Average Difference" HA 52 0.292 -0.089 0.280 17897 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17897 52 1 9 "Average Difference" CA 52 1.714 -0.881 1.484 17897 53 1 9 "Average Difference" CB 24 1.584 -0.758 1.420 17897 54 1 9 "Average Difference" HN 56 0.750 -0.315 0.687 17897 55 1 10 "Average Difference" N 56 3.945 -0.102 3.980 17897 56 1 10 "Average Difference" HA 52 0.322 -0.085 0.314 17897 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17897 58 1 10 "Average Difference" CA 52 1.728 -0.798 1.547 17897 59 1 10 "Average Difference" CB 24 1.554 -0.696 1.419 17897 60 1 10 "Average Difference" HN 56 0.685 -0.281 0.630 17897 61 1 11 "Average Difference" N 56 4.153 -0.421 4.169 17897 62 1 11 "Average Difference" HA 52 0.286 -0.106 0.269 17897 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17897 64 1 11 "Average Difference" CA 52 1.832 -0.806 1.661 17897 65 1 11 "Average Difference" CB 24 1.797 -0.962 1.550 17897 66 1 11 "Average Difference" HN 56 0.704 -0.341 0.622 17897 67 1 12 "Average Difference" N 56 3.872 -0.072 3.907 17897 68 1 12 "Average Difference" HA 52 0.293 -0.104 0.277 17897 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17897 70 1 12 "Average Difference" CA 52 1.452 -0.694 1.288 17897 71 1 12 "Average Difference" CB 24 1.836 -0.883 1.644 17897 72 1 12 "Average Difference" HN 56 0.738 -0.335 0.663 17897 73 1 13 "Average Difference" N 56 4.093 0.009 4.130 17897 74 1 13 "Average Difference" HA 52 0.289 -0.079 0.281 17897 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17897 76 1 13 "Average Difference" CA 52 1.502 -0.742 1.318 17897 77 1 13 "Average Difference" CB 24 1.682 -0.784 1.520 17897 78 1 13 "Average Difference" HN 56 0.672 -0.321 0.595 17897 79 1 14 "Average Difference" N 56 4.288 -0.416 4.306 17897 80 1 14 "Average Difference" HA 52 0.346 -0.117 0.328 17897 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17897 82 1 14 "Average Difference" CA 52 1.763 -0.785 1.594 17897 83 1 14 "Average Difference" CB 24 1.449 -0.703 1.294 17897 84 1 14 "Average Difference" HN 56 0.825 -0.327 0.765 17897 85 1 15 "Average Difference" N 56 4.079 -0.101 4.115 17897 86 1 15 "Average Difference" HA 52 0.319 -0.074 0.313 17897 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17897 88 1 15 "Average Difference" CA 52 1.719 -0.855 1.506 17897 89 1 15 "Average Difference" CB 24 1.840 -0.801 1.692 17897 90 1 15 "Average Difference" HN 56 0.683 -0.340 0.598 17897 91 1 16 "Average Difference" N 56 4.347 -0.112 4.385 17897 92 1 16 "Average Difference" HA 52 0.311 -0.079 0.304 17897 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17897 94 1 16 "Average Difference" CA 52 1.810 -0.847 1.616 17897 95 1 16 "Average Difference" CB 24 1.728 -0.846 1.540 17897 96 1 16 "Average Difference" HN 56 0.735 -0.309 0.672 17897 97 1 17 "Average Difference" N 56 3.885 0.065 3.919 17897 98 1 17 "Average Difference" HA 52 0.331 -0.098 0.319 17897 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17897 100 1 17 "Average Difference" CA 52 1.631 -0.799 1.436 17897 101 1 17 "Average Difference" CB 24 1.806 -0.835 1.636 17897 102 1 17 "Average Difference" HN 56 0.674 -0.260 0.628 17897 103 1 18 "Average Difference" N 56 3.779 0.044 3.813 17897 104 1 18 "Average Difference" HA 52 0.278 -0.082 0.268 17897 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17897 106 1 18 "Average Difference" CA 52 1.476 -0.793 1.257 17897 107 1 18 "Average Difference" CB 24 1.744 -0.837 1.563 17897 108 1 18 "Average Difference" HN 56 0.715 -0.400 0.598 17897 109 1 19 "Average Difference" N 56 4.110 0.033 4.147 17897 110 1 19 "Average Difference" HA 52 0.305 -0.088 0.295 17897 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17897 112 1 19 "Average Difference" CA 52 1.740 -0.693 1.612 17897 113 1 19 "Average Difference" CB 24 1.587 -0.854 1.366 17897 114 1 19 "Average Difference" HN 56 0.639 -0.265 0.586 17897 115 1 20 "Average Difference" N 56 3.996 -0.342 4.017 17897 116 1 20 "Average Difference" HA 52 0.289 -0.091 0.277 17897 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17897 118 1 20 "Average Difference" CA 52 1.642 -0.856 1.415 17897 119 1 20 "Average Difference" CB 24 1.679 -0.761 1.529 17897 120 1 20 "Average Difference" HN 56 0.721 -0.314 0.655 17897 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 17897 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE N N 2 122.866 122.866 120.997 1.869 17897 2 1 . 1 1 2 2 ILE CB C 2 39.823 39.823 38.332 1.491 17897 3 1 . 1 1 2 2 ILE H H 2 9.234 9.234 8.148 1.086 17897 4 1 . 1 1 3 3 ILE HA H 3 4.480 4.480 4.119 0.361 17897 5 1 . 1 1 3 3 ILE CA C 3 60.663 60.663 61.195 -0.532 17897 6 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.497 2.058 17897 7 1 . 1 1 4 4 ASN N N 4 124.006 124.006 121.124 2.882 17897 8 1 . 1 1 4 4 ASN H H 4 9.158 9.158 8.513 0.645 17897 9 1 . 1 1 6 6 LEU N N 6 120.561 120.561 123.801 -3.240 17897 10 1 . 1 1 6 6 LEU HA H 6 3.779 3.779 4.028 -0.249 17897 11 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.141 2.458 17897 12 1 . 1 1 6 6 LEU H H 6 8.637 8.637 8.654 -0.017 17897 13 1 . 1 1 7 7 LYS N N 7 118.177 118.177 118.651 -0.474 17897 14 1 . 1 1 7 7 LYS HA H 7 3.971 3.971 4.000 -0.029 17897 15 1 . 1 1 7 7 LYS CA C 7 61.320 61.320 59.383 1.937 17897 16 1 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.769 0.665 17897 17 1 . 1 1 7 7 LYS H H 7 9.010 9.010 8.357 0.653 17897 18 1 . 1 1 8 8 LEU N N 8 116.280 116.280 120.179 -3.899 17897 19 1 . 1 1 8 8 LEU HA H 8 4.162 4.162 4.091 0.071 17897 20 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.342 0.948 17897 21 1 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.731 1.028 17897 22 1 . 1 1 8 8 LEU H H 8 7.762 7.762 7.733 0.029 17897 23 1 . 1 1 9 9 ILE N N 9 119.178 119.178 118.722 0.456 17897 24 1 . 1 1 9 9 ILE HA H 9 3.864 3.864 3.713 0.151 17897 25 1 . 1 1 9 9 ILE CA C 9 63.901 63.901 63.505 0.396 17897 26 1 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.432 1.252 17897 27 1 . 1 1 9 9 ILE H H 9 8.277 8.277 8.057 0.220 17897 28 1 . 1 1 10 10 ARG N N 10 120.083 120.083 119.516 0.567 17897 29 1 . 1 1 10 10 ARG HA H 10 3.878 3.878 3.915 -0.037 17897 30 1 . 1 1 10 10 ARG CA C 10 61.826 61.826 59.989 1.837 17897 31 1 . 1 1 10 10 ARG H H 10 9.313 9.313 7.971 1.342 17897 32 1 . 1 1 11 11 GLU N N 11 115.851 115.851 118.693 -2.842 17897 33 1 . 1 1 11 11 GLU HA H 11 4.239 4.239 4.069 0.170 17897 34 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.988 1.298 17897 35 1 . 1 1 11 11 GLU H H 11 8.760 8.760 8.075 0.685 17897 36 1 . 1 1 12 12 LYS N N 12 122.969 122.969 119.976 2.993 17897 37 1 . 1 1 12 12 LYS HA H 12 4.261 4.261 4.115 0.146 17897 38 1 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.574 1.643 17897 39 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.470 0.428 17897 40 1 . 1 1 12 12 LYS H H 12 8.300 8.300 7.776 0.524 17897 41 1 . 1 1 13 13 LYS N N 13 116.249 116.249 117.968 -1.719 17897 42 1 . 1 1 13 13 LYS HA H 13 4.313 4.313 4.246 0.067 17897 43 1 . 1 1 13 13 LYS CA C 13 55.846 55.846 55.890 -0.044 17897 44 1 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.688 -0.935 17897 45 1 . 1 1 13 13 LYS H H 13 7.807 7.807 8.035 -0.228 17897 46 1 . 1 1 14 14 LYS N N 14 115.342 115.342 116.005 -0.663 17897 47 1 . 1 1 14 14 LYS HA H 14 4.083 4.083 3.992 0.091 17897 48 1 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.575 0.479 17897 49 1 . 1 1 14 14 LYS H H 14 8.128 8.128 7.942 0.186 17897 50 1 . 1 1 15 15 ILE N N 15 118.385 118.385 113.383 5.002 17897 51 1 . 1 1 15 15 ILE HA H 15 4.606 4.606 4.643 -0.037 17897 52 1 . 1 1 15 15 ILE CA C 15 59.803 59.803 59.269 0.534 17897 53 1 . 1 1 15 15 ILE H H 15 7.601 7.601 7.772 -0.171 17897 54 1 . 1 1 16 16 SER N N 16 125.109 125.109 120.810 4.299 17897 55 1 . 1 1 16 16 SER HA H 16 4.582 4.582 4.525 0.057 17897 56 1 . 1 1 16 16 SER CA C 16 57.628 57.628 57.447 0.181 17897 57 1 . 1 1 16 16 SER H H 16 9.528 9.528 8.943 0.585 17897 58 1 . 1 1 17 17 GLN N N 17 120.159 120.159 123.184 -3.025 17897 59 1 . 1 1 17 17 GLN HA H 17 3.883 3.883 4.009 -0.126 17897 60 1 . 1 1 17 17 GLN CA C 17 62.611 62.611 59.683 2.928 17897 61 1 . 1 1 17 17 GLN H H 17 9.587 9.587 8.969 0.618 17897 62 1 . 1 1 18 18 SER N N 18 113.031 113.031 114.943 -1.912 17897 63 1 . 1 1 18 18 SER H H 18 9.072 9.072 8.404 0.668 17897 64 1 . 1 1 19 19 GLU N N 19 124.022 124.022 122.203 1.819 17897 65 1 . 1 1 19 19 GLU HA H 19 4.217 4.217 4.026 0.191 17897 66 1 . 1 1 19 19 GLU CA C 19 59.697 59.697 59.034 0.663 17897 67 1 . 1 1 19 19 GLU H H 19 8.409 8.409 7.853 0.556 17897 68 1 . 1 1 20 20 LEU N N 20 119.979 119.979 120.151 -0.172 17897 69 1 . 1 1 20 20 LEU HA H 20 4.116 4.116 3.950 0.166 17897 70 1 . 1 1 20 20 LEU CA C 20 58.395 58.395 57.957 0.438 17897 71 1 . 1 1 20 20 LEU H H 20 8.381 8.381 7.896 0.485 17897 72 1 . 1 1 21 21 ALA N N 21 119.822 119.822 121.225 -1.403 17897 73 1 . 1 1 21 21 ALA HA H 21 3.615 3.615 4.028 -0.413 17897 74 1 . 1 1 21 21 ALA CA C 21 54.743 54.743 54.829 -0.086 17897 75 1 . 1 1 21 21 ALA CB C 21 17.674 17.674 18.105 -0.431 17897 76 1 . 1 1 21 21 ALA H H 21 8.670 8.670 8.361 0.309 17897 77 1 . 1 1 22 22 ALA N N 22 117.186 117.186 121.224 -4.038 17897 78 1 . 1 1 22 22 ALA HA H 22 4.306 4.306 4.076 0.230 17897 79 1 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.497 1.035 17897 80 1 . 1 1 22 22 ALA CB C 22 18.469 18.469 18.335 0.134 17897 81 1 . 1 1 22 22 ALA H H 22 7.869 7.869 8.296 -0.427 17897 82 1 . 1 1 23 23 LEU N N 23 118.476 118.476 117.771 0.705 17897 83 1 . 1 1 23 23 LEU HA H 23 4.089 4.089 3.936 0.153 17897 84 1 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.108 1.019 17897 85 1 . 1 1 23 23 LEU H H 23 7.581 7.581 7.663 -0.082 17897 86 1 . 1 1 24 24 LEU HA H 24 4.312 4.312 4.210 0.102 17897 87 1 . 1 1 24 24 LEU CA C 24 55.700 55.700 55.301 0.399 17897 88 1 . 1 1 25 25 GLU N N 25 114.844 114.844 115.791 -0.947 17897 89 1 . 1 1 25 25 GLU HA H 25 4.084 4.084 3.989 0.095 17897 90 1 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.513 0.721 17897 91 1 . 1 1 25 25 GLU H H 25 8.076 8.076 8.024 0.052 17897 92 1 . 1 1 26 26 VAL N N 26 109.651 109.651 111.899 -2.248 17897 93 1 . 1 1 26 26 VAL HA H 26 4.893 4.893 4.504 0.389 17897 94 1 . 1 1 26 26 VAL CA C 26 59.120 59.120 59.327 -0.207 17897 95 1 . 1 1 26 26 VAL H H 26 8.037 8.037 7.328 0.709 17897 96 1 . 1 1 27 27 SER N N 27 114.367 114.367 117.122 -2.755 17897 97 1 . 1 1 27 27 SER CB C 27 63.110 63.110 62.859 0.251 17897 98 1 . 1 1 27 27 SER H H 27 8.694 8.694 8.725 -0.031 17897 99 1 . 1 1 28 28 ARG N N 28 115.247 115.247 122.626 -7.379 17897 100 1 . 1 1 28 28 ARG HA H 28 3.779 3.779 3.986 -0.207 17897 101 1 . 1 1 28 28 ARG CA C 28 60.683 60.683 58.850 1.833 17897 102 1 . 1 1 28 28 ARG CB C 28 29.889 29.889 29.144 0.745 17897 103 1 . 1 1 28 28 ARG H H 28 8.301 8.301 8.304 -0.003 17897 104 1 . 1 1 29 29 GLN N N 29 117.269 117.269 117.436 -0.167 17897 105 1 . 1 1 29 29 GLN HA H 29 4.237 4.237 4.024 0.213 17897 106 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.033 0.980 17897 107 1 . 1 1 29 29 GLN CB C 29 28.398 28.398 28.191 0.207 17897 108 1 . 1 1 29 29 GLN H H 29 8.882 8.882 8.229 0.653 17897 109 1 . 1 1 30 30 THR N N 30 119.977 119.977 114.500 5.477 17897 110 1 . 1 1 30 30 THR HA H 30 4.601 4.601 4.118 0.483 17897 111 1 . 1 1 30 30 THR CA C 30 68.731 68.731 65.681 3.050 17897 112 1 . 1 1 30 30 THR CB C 30 67.567 67.567 68.708 -1.141 17897 113 1 . 1 1 30 30 THR H H 30 8.203 8.203 7.996 0.207 17897 114 1 . 1 1 31 31 ILE N N 31 118.714 118.714 119.410 -0.696 17897 115 1 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.912 -0.127 17897 116 1 . 1 1 31 31 ILE CA C 31 62.155 62.155 63.909 -1.754 17897 117 1 . 1 1 31 31 ILE CB C 31 35.826 35.826 37.481 -1.655 17897 118 1 . 1 1 31 31 ILE H H 31 7.197 7.197 7.936 -0.739 17897 119 1 . 1 1 32 32 ASN N N 32 118.007 118.007 120.108 -2.101 17897 120 1 . 1 1 32 32 ASN HA H 32 4.346 4.346 4.499 -0.153 17897 121 1 . 1 1 32 32 ASN CA C 32 58.058 58.058 56.789 1.269 17897 122 1 . 1 1 32 32 ASN CB C 32 40.054 40.054 38.225 1.829 17897 123 1 . 1 1 32 32 ASN H H 32 8.730 8.730 8.854 -0.124 17897 124 1 . 1 1 33 33 GLY N N 33 124.914 124.914 108.375 16.539 17897 125 1 . 1 1 33 33 GLY H H 33 8.713 8.713 7.899 0.814 17897 126 1 . 1 1 34 34 ILE N N 34 122.110 122.110 121.827 0.283 17897 127 1 . 1 1 34 34 ILE HA H 34 4.351 4.351 3.856 0.495 17897 128 1 . 1 1 34 34 ILE CA C 34 65.443 65.443 63.451 1.992 17897 129 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.571 1.615 17897 130 1 . 1 1 34 34 ILE H H 34 8.246 8.246 7.551 0.695 17897 131 1 . 1 1 35 35 GLU N N 35 120.672 120.672 120.107 0.565 17897 132 1 . 1 1 35 35 GLU HA H 35 4.327 4.327 4.083 0.244 17897 133 1 . 1 1 35 35 GLU CA C 35 60.689 60.689 59.906 0.783 17897 134 1 . 1 1 35 35 GLU H H 35 8.684 8.684 8.730 -0.046 17897 135 1 . 1 1 36 36 LYS N N 36 115.941 115.941 117.196 -1.255 17897 136 1 . 1 1 36 36 LYS HA H 36 4.612 4.612 4.289 0.323 17897 137 1 . 1 1 36 36 LYS CA C 36 56.301 56.301 58.628 -2.327 17897 138 1 . 1 1 36 36 LYS H H 36 8.152 8.152 8.113 0.039 17897 139 1 . 1 1 37 37 ASN N N 37 114.474 114.474 117.820 -3.346 17897 140 1 . 1 1 37 37 ASN HA H 37 4.898 4.898 4.528 0.370 17897 141 1 . 1 1 37 37 ASN CA C 37 56.060 56.060 55.672 0.388 17897 142 1 . 1 1 37 37 ASN CB C 37 37.776 37.776 38.761 -0.985 17897 143 1 . 1 1 37 37 ASN H H 37 8.263 8.263 8.128 0.135 17897 144 1 . 1 1 38 38 LYS N N 38 115.022 115.022 117.766 -2.744 17897 145 1 . 1 1 38 38 LYS HA H 38 4.480 4.480 4.082 0.398 17897 146 1 . 1 1 38 38 LYS CA C 38 56.844 56.844 57.793 -0.949 17897 147 1 . 1 1 38 38 LYS CB C 38 34.031 34.031 33.330 0.701 17897 148 1 . 1 1 38 38 LYS H H 38 8.789 8.789 7.840 0.949 17897 149 1 . 1 1 39 39 TYR N N 39 116.894 116.894 117.389 -0.495 17897 150 1 . 1 1 39 39 TYR HA H 39 4.695 4.695 4.677 0.018 17897 151 1 . 1 1 39 39 TYR CA C 39 56.323 56.323 56.313 0.010 17897 152 1 . 1 1 39 39 TYR H H 39 7.120 7.120 7.959 -0.839 17897 153 1 . 1 1 40 40 ASN N N 40 123.571 123.571 118.178 5.393 17897 154 1 . 1 1 40 40 ASN H H 40 8.925 8.925 8.578 0.347 17897 155 1 . 1 1 41 41 PRO HA H 41 3.855 3.855 4.461 -0.606 17897 156 1 . 1 1 41 41 PRO CA C 41 63.572 63.572 63.534 0.038 17897 157 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.039 0.422 17897 158 1 . 1 1 42 42 SER N N 42 125.757 125.757 118.992 6.765 17897 159 1 . 1 1 42 42 SER HA H 42 4.596 4.596 4.426 0.170 17897 160 1 . 1 1 42 42 SER CA C 42 58.235 58.235 58.628 -0.393 17897 161 1 . 1 1 42 42 SER H H 42 8.113 8.113 8.751 -0.638 17897 162 1 . 1 1 43 43 LEU N N 43 120.595 120.595 127.090 -6.494 17897 163 1 . 1 1 43 43 LEU HA H 43 4.027 4.027 3.945 0.082 17897 164 1 . 1 1 43 43 LEU CA C 43 59.081 59.081 58.946 0.135 17897 165 1 . 1 1 43 43 LEU H H 43 9.354 9.354 8.867 0.487 17897 166 1 . 1 1 44 44 GLN N N 44 116.009 116.009 118.395 -2.386 17897 167 1 . 1 1 44 44 GLN HA H 44 3.757 3.757 4.079 -0.322 17897 168 1 . 1 1 44 44 GLN CA C 44 60.740 60.740 59.050 1.690 17897 169 1 . 1 1 44 44 GLN H H 44 8.964 8.964 8.539 0.425 17897 170 1 . 1 1 45 45 LEU N N 45 119.443 119.443 119.834 -0.391 17897 171 1 . 1 1 45 45 LEU HA H 45 3.645 3.645 4.079 -0.434 17897 172 1 . 1 1 45 45 LEU CA C 45 54.699 54.699 57.384 -2.684 17897 173 1 . 1 1 45 45 LEU H H 45 8.167 8.167 7.788 0.379 17897 174 1 . 1 1 46 46 ALA N N 46 120.477 120.477 122.510 -2.032 17897 175 1 . 1 1 46 46 ALA HA H 46 4.029 4.029 4.009 0.020 17897 176 1 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.164 1.321 17897 177 1 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.251 2.402 17897 178 1 . 1 1 46 46 ALA H H 46 8.559 8.559 8.538 0.021 17897 179 1 . 1 1 47 47 LEU N N 47 116.564 116.564 118.525 -1.961 17897 180 1 . 1 1 47 47 LEU HA H 47 4.182 4.182 3.929 0.253 17897 181 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.039 0.362 17897 182 1 . 1 1 47 47 LEU H H 47 8.787 8.787 8.644 0.143 17897 183 1 . 1 1 48 48 LYS N N 48 121.007 121.007 118.458 2.549 17897 184 1 . 1 1 48 48 LYS HA H 48 3.720 3.720 4.090 -0.370 17897 185 1 . 1 1 48 48 LYS CA C 48 60.739 60.739 59.248 1.491 17897 186 1 . 1 1 48 48 LYS H H 48 8.106 8.106 7.599 0.507 17897 187 1 . 1 1 49 49 ILE N N 49 120.417 120.417 117.658 2.759 17897 188 1 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.097 -0.423 17897 189 1 . 1 1 49 49 ILE CA C 49 67.644 67.644 63.378 4.266 17897 190 1 . 1 1 49 49 ILE H H 49 8.831 8.831 7.956 0.875 17897 191 1 . 1 1 50 50 ALA N N 50 120.372 120.372 123.469 -3.097 17897 192 1 . 1 1 50 50 ALA HA H 50 4.096 4.096 3.985 0.111 17897 193 1 . 1 1 50 50 ALA CA C 50 56.212 56.212 54.953 1.259 17897 194 1 . 1 1 50 50 ALA CB C 50 18.830 18.830 17.967 0.863 17897 195 1 . 1 1 50 50 ALA H H 50 8.235 8.235 8.668 -0.433 17897 196 1 . 1 1 51 51 TYR N N 51 116.980 116.980 117.545 -0.565 17897 197 1 . 1 1 51 51 TYR HA H 51 4.355 4.355 4.111 0.244 17897 198 1 . 1 1 51 51 TYR CA C 51 62.332 62.332 61.317 1.015 17897 199 1 . 1 1 51 51 TYR H H 51 8.209 8.209 7.733 0.476 17897 200 1 . 1 1 52 52 TYR N N 52 118.569 118.569 117.268 1.301 17897 201 1 . 1 1 52 52 TYR HA H 52 4.323 4.323 4.228 0.095 17897 202 1 . 1 1 52 52 TYR CA C 52 63.976 63.976 60.185 3.791 17897 203 1 . 1 1 52 52 TYR H H 52 9.129 9.129 7.735 1.394 17897 204 1 . 1 1 53 53 LEU N N 53 115.377 115.377 119.928 -4.551 17897 205 1 . 1 1 53 53 LEU HA H 53 4.587 4.587 4.124 0.463 17897 206 1 . 1 1 53 53 LEU CA C 53 54.973 54.973 55.246 -0.273 17897 207 1 . 1 1 53 53 LEU H H 53 8.475 8.475 8.607 -0.132 17897 208 1 . 1 1 54 54 ASN N N 54 122.061 122.061 120.580 1.481 17897 209 1 . 1 1 54 54 ASN HA H 54 4.522 4.522 4.474 0.048 17897 210 1 . 1 1 54 54 ASN CA C 54 54.568 54.568 54.102 0.466 17897 211 1 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.638 0.847 17897 212 1 . 1 1 54 54 ASN H H 54 8.121 8.121 8.494 -0.373 17897 213 1 . 1 1 55 55 THR N N 55 114.942 114.942 117.115 -2.173 17897 214 1 . 1 1 55 55 THR HA H 55 5.060 5.060 4.604 0.456 17897 215 1 . 1 1 55 55 THR CA C 55 61.017 61.017 60.010 1.007 17897 216 1 . 1 1 55 55 THR CB C 55 75.522 75.522 70.789 4.733 17897 217 1 . 1 1 55 55 THR H H 55 8.315 8.315 7.878 0.437 17897 218 1 . 1 1 56 56 PRO HA H 56 4.608 4.608 4.523 0.085 17897 219 1 . 1 1 56 56 PRO CA C 56 63.358 63.358 62.837 0.521 17897 220 1 . 1 1 57 57 LEU HA H 57 4.209 4.209 4.065 0.144 17897 221 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 57.680 2.942 17897 222 1 . 1 1 58 58 GLU N N 58 123.065 123.065 119.335 3.730 17897 223 1 . 1 1 58 58 GLU HA H 58 4.912 4.912 4.058 0.854 17897 224 1 . 1 1 58 58 GLU CA C 58 59.525 59.525 59.450 0.075 17897 225 1 . 1 1 58 58 GLU H H 58 9.418 9.418 8.632 0.786 17897 226 1 . 1 1 59 59 ASP N N 59 117.640 117.640 118.667 -1.027 17897 227 1 . 1 1 59 59 ASP HA H 59 4.578 4.578 4.464 0.114 17897 228 1 . 1 1 59 59 ASP CA C 59 56.980 56.980 56.521 0.459 17897 229 1 . 1 1 59 59 ASP H H 59 8.073 8.073 8.049 0.024 17897 230 1 . 1 1 60 60 ILE N N 60 119.506 119.506 117.007 2.499 17897 231 1 . 1 1 60 60 ILE H H 60 8.276 8.276 7.536 0.740 17897 232 1 . 1 1 61 61 PHE N N 61 115.913 115.913 118.732 -2.819 17897 233 1 . 1 1 61 61 PHE H H 61 8.567 8.567 8.174 0.393 17897 234 1 . 1 1 63 63 TRP N N 63 125.522 125.522 120.617 4.905 17897 235 1 . 1 1 63 63 TRP H H 63 9.524 9.524 7.995 1.529 17897 236 1 . 1 1 64 64 GLN N N 64 127.251 127.251 121.257 5.994 17897 237 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.497 3.076 17897 238 1 . 1 1 64 64 GLN H H 64 8.048 8.048 7.961 0.087 17897 239 1 . 1 1 65 65 PRO HA H 65 4.597 4.597 4.351 0.246 17897 240 1 . 1 1 65 65 PRO CA C 65 62.029 62.029 63.563 -1.534 17897 stop_ save_