data_25827 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25827 _Entry.PDB_ID 2N7Y 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 25827 _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 GLY N N 2 109.659 109.659 107.943 1.716 25827 2 1 1 . 1 1 2 2 GLY C C 2 174.061 174.061 174.557 -0.496 25827 3 1 1 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.232 0.419 25827 4 1 1 . 1 1 2 2 GLY H H 2 8.539 8.539 8.515 0.024 25827 5 1 1 . 1 1 3 3 HIS N N 3 120.603 120.603 119.233 1.370 25827 6 1 1 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.528 -0.119 25827 7 1 1 . 1 1 3 3 HIS C C 3 176.072 176.072 175.806 0.266 25827 8 1 1 . 1 1 3 3 HIS CA C 3 56.011 56.011 56.108 -0.097 25827 9 1 1 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.905 2.457 25827 10 1 1 . 1 1 3 3 HIS H H 3 8.030 8.030 8.050 -0.020 25827 11 1 1 . 1 1 4 4 MET N N 4 124.310 124.310 123.883 0.427 25827 12 1 1 . 1 1 4 4 MET C C 4 176.179 176.179 177.037 -0.858 25827 13 1 1 . 1 1 4 4 MET CA C 4 61.071 61.071 58.180 2.891 25827 14 1 1 . 1 1 4 4 MET CB C 4 38.720 38.720 33.004 5.716 25827 15 1 1 . 1 1 4 4 MET H H 4 8.410 8.410 8.786 -0.376 25827 16 1 1 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.520 -0.224 25827 17 1 1 . 1 1 5 5 GLN C C 5 174.687 174.687 174.044 0.643 25827 18 1 1 . 1 1 5 5 GLN CA C 5 56.218 56.218 56.620 -0.402 25827 19 1 1 . 1 1 5 5 GLN CB C 5 29.561 29.561 30.789 -1.228 25827 20 1 1 . 1 1 6 6 VAL N N 6 120.095 120.095 119.835 0.260 25827 21 1 1 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.433 -0.086 25827 22 1 1 . 1 1 6 6 VAL C C 6 174.807 174.807 174.756 0.051 25827 23 1 1 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.810 0.608 25827 24 1 1 . 1 1 6 6 VAL CB C 6 34.320 34.320 33.363 0.957 25827 25 1 1 . 1 1 6 6 VAL H H 6 7.942 7.942 7.865 0.077 25827 26 1 1 . 1 1 7 7 ALA N N 7 130.230 130.230 130.895 -0.665 25827 27 1 1 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.343 0.292 25827 28 1 1 . 1 1 7 7 ALA C C 7 174.913 174.913 176.171 -1.258 25827 29 1 1 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.222 0.462 25827 30 1 1 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.296 0.341 25827 31 1 1 . 1 1 7 7 ALA H H 7 8.952 8.952 8.913 0.039 25827 32 1 1 . 1 1 8 8 THR N N 8 114.219 114.219 113.911 0.308 25827 33 1 1 . 1 1 8 8 THR HA H 8 5.594 5.594 5.609 -0.015 25827 34 1 1 . 1 1 8 8 THR C C 8 174.846 174.846 174.478 0.368 25827 35 1 1 . 1 1 8 8 THR CA C 8 61.524 61.524 59.632 1.892 25827 36 1 1 . 1 1 8 8 THR CB C 8 71.228 71.228 71.102 0.126 25827 37 1 1 . 1 1 8 8 THR H H 8 8.211 8.211 8.151 0.060 25827 38 1 1 . 1 1 9 9 SER N N 9 121.231 121.231 118.393 2.838 25827 39 1 1 . 1 1 9 9 SER HA H 9 5.049 5.049 4.872 0.177 25827 40 1 1 . 1 1 9 9 SER C C 9 172.023 172.023 172.708 -0.685 25827 41 1 1 . 1 1 9 9 SER CA C 9 57.822 57.822 57.677 0.145 25827 42 1 1 . 1 1 9 9 SER CB C 9 67.178 67.178 65.539 1.639 25827 43 1 1 . 1 1 9 9 SER H H 9 9.329 9.329 8.431 0.898 25827 44 1 1 . 1 1 10 10 THR N N 10 119.646 119.646 119.857 -0.211 25827 45 1 1 . 1 1 10 10 THR HA H 10 5.423 5.423 5.420 0.003 25827 46 1 1 . 1 1 10 10 THR C C 10 173.754 173.754 174.245 -0.491 25827 47 1 1 . 1 1 10 10 THR CA C 10 61.591 61.591 60.200 1.391 25827 48 1 1 . 1 1 10 10 THR CB C 10 70.230 70.230 69.629 0.601 25827 49 1 1 . 1 1 10 10 THR H H 10 8.790 8.790 8.767 0.023 25827 50 1 1 . 1 1 11 11 VAL N N 11 122.726 122.726 126.565 -3.839 25827 51 1 1 . 1 1 11 11 VAL HA H 11 4.688 4.688 4.879 -0.191 25827 52 1 1 . 1 1 11 11 VAL C C 11 174.940 174.940 175.053 -0.113 25827 53 1 1 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.720 -0.233 25827 54 1 1 . 1 1 11 11 VAL CB C 11 35.207 35.207 34.123 1.084 25827 55 1 1 . 1 1 11 11 VAL H H 11 8.973 8.973 8.427 0.546 25827 56 1 1 . 1 1 12 12 ARG N N 12 127.240 127.240 128.262 -1.022 25827 57 1 1 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.672 -0.121 25827 58 1 1 . 1 1 12 12 ARG C C 12 175.632 175.632 175.118 0.514 25827 59 1 1 . 1 1 12 12 ARG CA C 12 55.731 55.731 55.459 0.272 25827 60 1 1 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.323 -0.303 25827 61 1 1 . 1 1 12 12 ARG H H 12 9.274 9.274 8.689 0.585 25827 62 1 1 . 1 1 13 13 ILE N N 13 123.234 123.234 122.080 1.154 25827 63 1 1 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.510 0.231 25827 64 1 1 . 1 1 13 13 ILE C C 13 174.540 174.540 174.953 -0.413 25827 65 1 1 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.126 1.852 25827 66 1 1 . 1 1 13 13 ILE CB C 13 41.487 41.487 38.177 3.310 25827 67 1 1 . 1 1 13 13 ILE H H 13 8.210 8.210 8.492 -0.282 25827 68 1 1 . 1 1 14 14 LEU N N 14 128.287 128.287 130.365 -2.078 25827 69 1 1 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.818 -0.053 25827 70 1 1 . 1 1 14 14 LEU C C 14 177.391 177.391 174.509 2.882 25827 71 1 1 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.691 0.415 25827 72 1 1 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.895 -1.279 25827 73 1 1 . 1 1 14 14 LEU H H 14 9.146 9.146 9.170 -0.024 25827 74 1 1 . 1 1 15 15 GLY N N 15 107.835 107.835 110.208 -2.373 25827 75 1 1 . 1 1 15 15 GLY C C 15 175.726 175.726 174.226 1.500 25827 76 1 1 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.338 0.006 25827 77 1 1 . 1 1 15 15 GLY H H 15 8.515 8.515 7.901 0.614 25827 78 1 1 . 1 1 16 16 MET N N 16 120.244 120.244 118.831 1.413 25827 79 1 1 . 1 1 16 16 MET HA H 16 4.699 4.699 4.382 0.317 25827 80 1 1 . 1 1 16 16 MET C C 16 177.404 177.404 176.917 0.487 25827 81 1 1 . 1 1 16 16 MET CA C 16 57.116 57.116 57.818 -0.702 25827 82 1 1 . 1 1 16 16 MET CB C 16 34.852 34.852 33.063 1.788 25827 83 1 1 . 1 1 16 16 MET H H 16 8.925 8.925 8.799 0.126 25827 84 1 1 . 1 1 17 17 THR C C 17 174.700 174.700 173.875 0.825 25827 85 1 1 . 1 1 17 17 THR CA C 17 62.736 62.736 60.423 2.313 25827 86 1 1 . 1 1 17 17 THR CB C 17 64.427 64.427 67.858 -3.431 25827 87 1 1 . 1 1 18 18 CYS N N 18 120.513 120.513 124.471 -3.958 25827 88 1 1 . 1 1 18 18 CYS HA H 18 4.423 4.423 3.888 0.535 25827 89 1 1 . 1 1 18 18 CYS C C 18 177.431 177.431 176.334 1.097 25827 90 1 1 . 1 1 18 18 CYS CA C 18 55.507 55.507 62.029 -6.522 25827 91 1 1 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.953 14.312 25827 92 1 1 . 1 1 18 18 CYS H H 18 8.691 8.691 8.617 0.074 25827 93 1 1 . 1 1 19 19 GLN N N 19 121.231 121.231 119.201 2.030 25827 94 1 1 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.948 0.390 25827 95 1 1 . 1 1 19 19 GLN C C 19 175.832 175.832 177.501 -1.669 25827 96 1 1 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.597 -3.014 25827 97 1 1 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.926 2.752 25827 98 1 1 . 1 1 19 19 GLN H H 19 8.342 8.342 8.649 -0.307 25827 99 1 1 . 1 1 20 20 SER N N 20 116.089 116.089 115.741 0.348 25827 100 1 1 . 1 1 20 20 SER HA H 20 4.381 4.381 4.240 0.141 25827 101 1 1 . 1 1 20 20 SER C C 20 177.004 177.004 176.577 0.427 25827 102 1 1 . 1 1 20 20 SER H H 20 7.953 7.953 8.434 -0.480 25827 103 1 1 . 1 1 21 21 CYS N N 21 125.147 125.147 118.757 6.390 25827 104 1 1 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.215 -0.133 25827 105 1 1 . 1 1 21 21 CYS C C 21 177.004 177.004 176.462 0.542 25827 106 1 1 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.753 2.409 25827 107 1 1 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.648 3.206 25827 108 1 1 . 1 1 21 21 CYS H H 21 7.854 7.854 7.553 0.301 25827 109 1 1 . 1 1 22 22 VAL N N 22 118.062 118.062 123.232 -5.170 25827 110 1 1 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.534 0.818 25827 111 1 1 . 1 1 22 22 VAL C C 22 177.178 177.178 178.060 -0.882 25827 112 1 1 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.811 -0.266 25827 113 1 1 . 1 1 22 22 VAL CB C 22 31.730 31.730 30.793 0.937 25827 114 1 1 . 1 1 22 22 VAL H H 22 6.834 6.834 8.474 -1.640 25827 115 1 1 . 1 1 23 23 LYS N N 23 117.823 117.823 120.318 -2.495 25827 116 1 1 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.892 0.190 25827 117 1 1 . 1 1 23 23 LYS C C 23 178.456 178.456 178.822 -0.366 25827 118 1 1 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.220 -1.426 25827 119 1 1 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.129 0.310 25827 120 1 1 . 1 1 23 23 LYS H H 23 7.936 7.936 8.367 -0.431 25827 121 1 1 . 1 1 24 24 SER N N 24 113.895 113.895 115.121 -1.226 25827 122 1 1 . 1 1 24 24 SER HA H 24 4.068 4.068 4.224 -0.156 25827 123 1 1 . 1 1 24 24 SER C C 24 177.364 177.364 176.743 0.621 25827 124 1 1 . 1 1 24 24 SER CA C 24 62.017 62.017 61.256 0.761 25827 125 1 1 . 1 1 24 24 SER CB C 24 62.600 62.600 62.928 -0.328 25827 126 1 1 . 1 1 24 24 SER H H 24 8.062 8.062 7.822 0.240 25827 127 1 1 . 1 1 25 25 ILE N N 25 122.845 122.845 122.237 0.608 25827 128 1 1 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.760 -0.218 25827 129 1 1 . 1 1 25 25 ILE C C 25 177.537 177.537 176.997 0.540 25827 130 1 1 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.420 1.592 25827 131 1 1 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.922 0.869 25827 132 1 1 . 1 1 25 25 ILE H H 25 7.888 7.888 8.481 -0.593 25827 133 1 1 . 1 1 26 26 GLU N N 26 118.630 118.630 121.701 -3.071 25827 134 1 1 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.972 -0.344 25827 135 1 1 . 1 1 26 26 GLU C C 26 180.041 180.041 178.992 1.049 25827 136 1 1 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.856 1.322 25827 137 1 1 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.103 0.498 25827 138 1 1 . 1 1 26 26 GLU H H 26 8.519 8.519 8.376 0.143 25827 139 1 1 . 1 1 27 27 ASP N N 27 119.676 119.676 120.226 -0.550 25827 140 1 1 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.416 -0.078 25827 141 1 1 . 1 1 27 27 ASP C C 27 178.070 178.070 178.718 -0.648 25827 142 1 1 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.143 0.386 25827 143 1 1 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.949 -0.526 25827 144 1 1 . 1 1 27 27 ASP H H 27 8.973 8.973 7.912 1.061 25827 145 1 1 . 1 1 28 28 ARG N N 28 118.092 118.092 118.918 -0.826 25827 146 1 1 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.091 0.090 25827 147 1 1 . 1 1 28 28 ARG C C 28 179.296 179.296 179.048 0.248 25827 148 1 1 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.205 0.390 25827 149 1 1 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.784 0.526 25827 150 1 1 . 1 1 28 28 ARG H H 28 7.630 7.630 7.596 0.034 25827 151 1 1 . 1 1 29 29 ILE N N 29 116.597 116.597 119.570 -2.973 25827 152 1 1 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.862 0.085 25827 153 1 1 . 1 1 29 29 ILE C C 29 177.777 177.777 177.249 0.528 25827 154 1 1 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.144 -3.459 25827 155 1 1 . 1 1 29 29 ILE CB C 29 35.278 35.278 38.158 -2.880 25827 156 1 1 . 1 1 29 29 ILE H H 29 8.427 8.427 8.415 0.012 25827 157 1 1 . 1 1 30 30 SER N N 30 113.160 113.160 114.966 -1.806 25827 158 1 1 . 1 1 30 30 SER HA H 30 4.049 4.049 4.244 -0.195 25827 159 1 1 . 1 1 30 30 SER C C 30 173.941 173.941 175.640 -1.699 25827 160 1 1 . 1 1 30 30 SER CA C 30 62.110 62.110 61.033 1.077 25827 161 1 1 . 1 1 30 30 SER CB C 30 62.884 62.884 63.469 -0.585 25827 162 1 1 . 1 1 30 30 SER H H 30 8.236 8.236 8.029 0.207 25827 163 1 1 . 1 1 31 31 ASN N N 31 115.520 115.520 119.229 -3.709 25827 164 1 1 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.621 0.153 25827 165 1 1 . 1 1 31 31 ASN C C 31 175.046 175.046 175.379 -0.333 25827 166 1 1 . 1 1 31 31 ASN CA C 31 53.547 53.547 53.940 -0.393 25827 167 1 1 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.860 1.137 25827 168 1 1 . 1 1 31 31 ASN H H 31 6.919 6.919 7.745 -0.826 25827 169 1 1 . 1 1 32 32 LEU N N 32 122.666 122.666 121.404 1.262 25827 170 1 1 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.248 0.088 25827 171 1 1 . 1 1 32 32 LEU C C 32 177.071 177.071 176.277 0.794 25827 172 1 1 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.963 -0.124 25827 173 1 1 . 1 1 32 32 LEU CB C 32 41.807 41.807 41.885 -0.078 25827 174 1 1 . 1 1 32 32 LEU H H 32 7.620 7.620 7.053 0.567 25827 175 1 1 . 1 1 33 33 LYS N N 33 125.955 125.955 124.288 1.667 25827 176 1 1 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.322 -0.268 25827 177 1 1 . 1 1 33 33 LYS C C 33 176.698 176.698 177.503 -0.805 25827 178 1 1 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.778 1.204 25827 179 1 1 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.916 -0.974 25827 180 1 1 . 1 1 33 33 LYS H H 33 8.451 8.451 8.534 -0.083 25827 181 1 1 . 1 1 34 34 GLY N N 34 110.541 110.541 109.084 1.457 25827 182 1 1 . 1 1 34 34 GLY C C 34 173.381 173.381 174.266 -0.885 25827 183 1 1 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.730 0.813 25827 184 1 1 . 1 1 34 34 GLY H H 34 8.616 8.616 8.702 -0.086 25827 185 1 1 . 1 1 35 35 ILE N N 35 119.258 119.258 116.503 2.755 25827 186 1 1 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.313 -0.041 25827 187 1 1 . 1 1 35 35 ILE C C 35 176.352 176.352 175.455 0.897 25827 188 1 1 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.720 -3.112 25827 189 1 1 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.270 -3.241 25827 190 1 1 . 1 1 35 35 ILE H H 35 7.580 7.580 7.455 0.125 25827 191 1 1 . 1 1 36 36 ILE N N 36 130.708 130.708 127.155 3.553 25827 192 1 1 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.356 -0.275 25827 193 1 1 . 1 1 36 36 ILE C C 36 176.298 176.298 176.092 0.206 25827 194 1 1 . 1 1 36 36 ILE CA C 36 61.791 61.791 61.932 -0.141 25827 195 1 1 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.033 -0.881 25827 196 1 1 . 1 1 36 36 ILE H H 36 9.244 9.244 9.067 0.177 25827 197 1 1 . 1 1 37 37 SER N N 37 111.336 111.336 111.256 0.080 25827 198 1 1 . 1 1 37 37 SER HA H 37 4.613 4.613 4.593 0.020 25827 199 1 1 . 1 1 37 37 SER C C 37 171.809 171.809 172.060 -0.251 25827 200 1 1 . 1 1 37 37 SER CA C 37 57.636 57.636 58.108 -0.472 25827 201 1 1 . 1 1 37 37 SER CB C 37 64.729 64.729 64.204 0.525 25827 202 1 1 . 1 1 37 37 SER H H 37 8.002 8.002 7.368 0.634 25827 203 1 1 . 1 1 38 38 MET N N 38 123.742 123.742 119.286 4.456 25827 204 1 1 . 1 1 38 38 MET HA H 38 5.006 5.006 5.200 -0.194 25827 205 1 1 . 1 1 38 38 MET C C 38 172.755 172.755 173.733 -0.978 25827 206 1 1 . 1 1 38 38 MET CA C 38 54.719 54.719 54.619 0.100 25827 207 1 1 . 1 1 38 38 MET CB C 38 35.562 35.562 37.618 -2.056 25827 208 1 1 . 1 1 38 38 MET H H 38 8.651 8.651 8.108 0.543 25827 209 1 1 . 1 1 39 39 LYS N N 39 126.343 126.343 121.839 4.504 25827 210 1 1 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.684 0.270 25827 211 1 1 . 1 1 39 39 LYS C C 39 175.872 175.872 174.349 1.523 25827 212 1 1 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.514 -1.607 25827 213 1 1 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.054 -1.450 25827 214 1 1 . 1 1 39 39 LYS H H 39 8.173 8.173 8.934 -0.761 25827 215 1 1 . 1 1 40 40 VAL N N 40 131.217 131.217 126.734 4.483 25827 216 1 1 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.201 0.066 25827 217 1 1 . 1 1 40 40 VAL C C 40 174.327 174.327 175.216 -0.889 25827 218 1 1 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.987 -0.088 25827 219 1 1 . 1 1 40 40 VAL CB C 40 32.617 32.617 32.027 0.590 25827 220 1 1 . 1 1 40 40 VAL H H 40 10.339 10.339 8.570 1.769 25827 221 1 1 . 1 1 41 41 SER N N 41 121.440 121.440 123.935 -2.495 25827 222 1 1 . 1 1 41 41 SER HA H 41 4.878 4.878 4.746 0.132 25827 223 1 1 . 1 1 41 41 SER C C 41 175.179 175.179 174.778 0.401 25827 224 1 1 . 1 1 41 41 SER CA C 41 55.359 55.359 56.830 -1.471 25827 225 1 1 . 1 1 41 41 SER CB C 41 63.381 63.381 64.011 -0.630 25827 226 1 1 . 1 1 41 41 SER H H 41 9.122 9.122 8.473 0.649 25827 227 1 1 . 1 1 42 42 LEU N N 42 131.575 131.575 126.616 4.959 25827 228 1 1 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.998 0.807 25827 229 1 1 . 1 1 42 42 LEU C C 42 179.189 179.189 178.341 0.848 25827 230 1 1 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.637 0.625 25827 231 1 1 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.165 -0.252 25827 232 1 1 . 1 1 42 42 LEU H H 42 9.139 9.139 8.750 0.389 25827 233 1 1 . 1 1 43 43 GLU N N 43 117.524 117.524 117.992 -0.468 25827 234 1 1 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.053 0.752 25827 235 1 1 . 1 1 43 43 GLU C C 43 178.456 178.456 178.135 0.321 25827 236 1 1 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.630 1.296 25827 237 1 1 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.514 0.803 25827 238 1 1 . 1 1 43 43 GLU H H 43 9.041 9.041 8.414 0.627 25827 239 1 1 . 1 1 44 44 GLN N N 44 113.278 113.278 117.118 -3.840 25827 240 1 1 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.319 0.017 25827 241 1 1 . 1 1 44 44 GLN C C 44 176.765 176.765 176.903 -0.138 25827 242 1 1 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.993 -0.448 25827 243 1 1 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.359 0.242 25827 244 1 1 . 1 1 44 44 GLN H H 44 7.651 7.651 8.218 -0.567 25827 245 1 1 . 1 1 45 45 GLY N N 45 110.453 110.453 107.596 2.857 25827 246 1 1 . 1 1 45 45 GLY C C 45 174.487 174.487 173.555 0.932 25827 247 1 1 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.410 1.932 25827 248 1 1 . 1 1 45 45 GLY H H 45 7.884 7.884 8.126 -0.242 25827 249 1 1 . 1 1 46 46 SER N N 46 111.130 111.130 113.579 -2.449 25827 250 1 1 . 1 1 46 46 SER HA H 46 5.412 5.412 5.561 -0.149 25827 251 1 1 . 1 1 46 46 SER C C 46 171.503 171.503 172.414 -0.911 25827 252 1 1 . 1 1 46 46 SER CA C 46 56.544 56.544 56.585 -0.041 25827 253 1 1 . 1 1 46 46 SER CB C 46 66.327 66.327 66.263 0.064 25827 254 1 1 . 1 1 46 46 SER H H 46 7.807 7.807 7.600 0.207 25827 255 1 1 . 1 1 47 47 ALA N N 47 120.663 120.663 121.687 -1.024 25827 256 1 1 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.105 0.190 25827 257 1 1 . 1 1 47 47 ALA C C 47 175.806 175.806 176.414 -0.608 25827 258 1 1 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.390 -0.038 25827 259 1 1 . 1 1 47 47 ALA CB C 47 24.951 24.951 21.798 3.153 25827 260 1 1 . 1 1 47 47 ALA H H 47 9.349 9.349 8.694 0.655 25827 261 1 1 . 1 1 48 48 THR N N 48 117.344 117.344 121.461 -4.117 25827 262 1 1 . 1 1 48 48 THR HA H 48 4.880 4.880 4.779 0.101 25827 263 1 1 . 1 1 48 48 THR C C 48 173.847 173.847 173.742 0.105 25827 264 1 1 . 1 1 48 48 THR CA C 48 62.163 62.163 62.761 -0.598 25827 265 1 1 . 1 1 48 48 THR CB C 48 69.698 69.698 69.444 0.254 25827 266 1 1 . 1 1 48 48 THR H H 48 8.634 8.634 8.952 -0.318 25827 267 1 1 . 1 1 49 49 VAL N N 49 129.782 129.782 127.822 1.960 25827 268 1 1 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.277 0.581 25827 269 1 1 . 1 1 49 49 VAL C C 49 173.208 173.208 173.961 -0.753 25827 270 1 1 . 1 1 49 49 VAL CA C 49 59.860 59.860 61.172 -1.312 25827 271 1 1 . 1 1 49 49 VAL CB C 49 34.852 34.852 32.945 1.907 25827 272 1 1 . 1 1 49 49 VAL H H 49 9.400 9.400 9.199 0.201 25827 273 1 1 . 1 1 50 50 LYS N N 50 128.107 128.107 127.415 0.692 25827 274 1 1 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.076 0.848 25827 275 1 1 . 1 1 50 50 LYS C C 50 176.671 176.671 174.582 2.089 25827 276 1 1 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.704 0.348 25827 277 1 1 . 1 1 50 50 LYS CB C 50 34.355 34.355 33.767 0.587 25827 278 1 1 . 1 1 50 50 LYS H H 50 8.997 8.997 7.981 1.016 25827 279 1 1 . 1 1 51 51 TYR N N 51 124.310 124.310 121.490 2.820 25827 280 1 1 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.759 0.792 25827 281 1 1 . 1 1 51 51 TYR C C 51 171.343 171.343 174.129 -2.786 25827 282 1 1 . 1 1 51 51 TYR CA C 51 55.492 55.492 57.177 -1.685 25827 283 1 1 . 1 1 51 51 TYR CB C 51 41.452 41.452 42.819 -1.367 25827 284 1 1 . 1 1 51 51 TYR H H 51 9.478 9.478 8.383 1.095 25827 285 1 1 . 1 1 52 52 VAL N N 52 122.068 122.068 122.555 -0.487 25827 286 1 1 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.822 -0.102 25827 287 1 1 . 1 1 52 52 VAL C C 52 176.045 176.045 175.720 0.325 25827 288 1 1 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.682 -0.102 25827 289 1 1 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.242 1.446 25827 290 1 1 . 1 1 52 52 VAL H H 52 8.702 8.702 9.284 -0.582 25827 291 1 1 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.696 -0.329 25827 292 1 1 . 1 1 53 53 PRO C C 53 177.111 177.111 178.571 -1.460 25827 293 1 1 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.315 -0.974 25827 294 1 1 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.163 -0.223 25827 295 1 1 . 1 1 54 54 SER N N 54 109.924 109.924 113.617 -3.693 25827 296 1 1 . 1 1 54 54 SER HA H 54 4.345 4.345 4.267 0.078 25827 297 1 1 . 1 1 54 54 SER C C 54 174.580 174.580 175.883 -1.303 25827 298 1 1 . 1 1 54 54 SER CA C 54 59.726 59.726 60.914 -1.188 25827 299 1 1 . 1 1 54 54 SER CB C 54 62.635 62.635 62.805 -0.170 25827 300 1 1 . 1 1 54 54 SER H H 54 7.898 7.898 8.373 -0.475 25827 301 1 1 . 1 1 55 55 VAL N N 55 121.919 121.919 120.947 0.972 25827 302 1 1 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.939 0.184 25827 303 1 1 . 1 1 55 55 VAL C C 55 174.607 174.607 175.924 -1.317 25827 304 1 1 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.673 -0.952 25827 305 1 1 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.645 1.923 25827 306 1 1 . 1 1 55 55 VAL H H 55 8.163 8.163 7.498 0.665 25827 307 1 1 . 1 1 56 56 VAL N N 56 121.380 121.380 119.554 1.826 25827 308 1 1 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.252 0.319 25827 309 1 1 . 1 1 56 56 VAL C C 56 170.477 170.477 174.401 -3.924 25827 310 1 1 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.609 -0.776 25827 311 1 1 . 1 1 56 56 VAL CB C 56 35.420 35.420 33.990 1.430 25827 312 1 1 . 1 1 56 56 VAL H H 56 8.254 8.254 8.529 -0.275 25827 313 1 1 . 1 1 57 57 CYS N N 57 121.201 121.201 125.418 -4.217 25827 314 1 1 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.704 0.400 25827 315 1 1 . 1 1 57 57 CYS C C 57 176.591 176.591 176.020 0.571 25827 316 1 1 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.241 -1.616 25827 317 1 1 . 1 1 57 57 CYS CB C 57 30.878 30.878 28.954 1.924 25827 318 1 1 . 1 1 57 57 CYS H H 57 7.885 7.885 8.838 -0.953 25827 319 1 1 . 1 1 58 58 LEU N N 58 125.028 125.028 124.517 0.511 25827 320 1 1 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.012 -0.384 25827 321 1 1 . 1 1 58 58 LEU C C 58 179.335 179.335 178.937 0.398 25827 322 1 1 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.188 -0.783 25827 323 1 1 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.411 -0.103 25827 324 1 1 . 1 1 58 58 LEU H H 58 8.555 8.555 8.718 -0.163 25827 325 1 1 . 1 1 59 59 GLN N N 59 120.812 120.812 118.604 2.208 25827 326 1 1 . 1 1 59 59 GLN HA H 59 3.969 3.969 4.054 -0.085 25827 327 1 1 . 1 1 59 59 GLN C C 59 178.629 178.629 178.247 0.382 25827 328 1 1 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.077 0.676 25827 329 1 1 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.832 0.056 25827 330 1 1 . 1 1 59 59 GLN H H 59 9.081 9.081 8.757 0.324 25827 331 1 1 . 1 1 60 60 GLN N N 60 120.513 120.513 118.485 2.028 25827 332 1 1 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.083 0.078 25827 333 1 1 . 1 1 60 60 GLN C C 60 179.002 179.002 178.431 0.571 25827 334 1 1 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.477 0.410 25827 335 1 1 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.429 0.320 25827 336 1 1 . 1 1 60 60 GLN H H 60 7.793 7.793 7.752 0.041 25827 337 1 1 . 1 1 61 61 VAL N N 61 119.886 119.886 120.651 -0.765 25827 338 1 1 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.922 -0.628 25827 339 1 1 . 1 1 61 61 VAL C C 61 177.564 177.564 178.466 -0.902 25827 340 1 1 . 1 1 61 61 VAL CA C 61 67.104 67.104 65.953 1.151 25827 341 1 1 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.645 -0.412 25827 342 1 1 . 1 1 61 61 VAL H H 61 7.359 7.359 7.488 -0.129 25827 343 1 1 . 1 1 62 62 CYS N N 62 116.059 116.059 119.102 -3.043 25827 344 1 1 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.056 -0.252 25827 345 1 1 . 1 1 62 62 CYS C C 62 177.630 177.630 176.371 1.259 25827 346 1 1 . 1 1 62 62 CYS CA C 62 64.667 64.667 62.565 2.102 25827 347 1 1 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.252 0.261 25827 348 1 1 . 1 1 62 62 CYS H H 62 8.034 8.034 8.220 -0.186 25827 349 1 1 . 1 1 63 63 HIS N N 63 121.440 121.440 120.908 0.532 25827 350 1 1 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.212 0.211 25827 351 1 1 . 1 1 63 63 HIS C C 63 178.097 178.097 177.607 0.490 25827 352 1 1 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.325 -0.985 25827 353 1 1 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.949 0.432 25827 354 1 1 . 1 1 63 63 HIS H H 63 8.430 8.430 8.358 0.072 25827 355 1 1 . 1 1 64 64 GLN N N 64 118.839 118.839 118.147 0.692 25827 356 1 1 . 1 1 64 64 GLN HA H 64 4.027 4.027 3.994 0.033 25827 357 1 1 . 1 1 64 64 GLN C C 64 178.536 178.536 178.540 -0.004 25827 358 1 1 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.282 0.058 25827 359 1 1 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.829 -0.719 25827 360 1 1 . 1 1 64 64 GLN H H 64 8.102 8.102 8.335 -0.233 25827 361 1 1 . 1 1 65 65 ILE N N 65 119.228 119.228 119.363 -0.135 25827 362 1 1 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.008 -0.323 25827 363 1 1 . 1 1 65 65 ILE C C 65 178.656 178.656 177.311 1.345 25827 364 1 1 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.007 3.045 25827 365 1 1 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.161 0.204 25827 366 1 1 . 1 1 65 65 ILE H H 65 7.858 7.858 7.430 0.428 25827 367 1 1 . 1 1 66 66 GLY N N 66 109.453 109.453 108.149 1.304 25827 368 1 1 . 1 1 66 66 GLY C C 66 178.643 178.643 176.342 2.301 25827 369 1 1 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.378 -0.276 25827 370 1 1 . 1 1 66 66 GLY H H 66 8.379 8.379 8.507 -0.128 25827 371 1 1 . 1 1 67 67 ASP N N 67 123.114 123.114 121.417 1.697 25827 372 1 1 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.360 0.104 25827 373 1 1 . 1 1 67 67 ASP C C 67 177.497 177.497 177.357 0.140 25827 374 1 1 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.327 0.230 25827 375 1 1 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.385 0.712 25827 376 1 1 . 1 1 67 67 ASP H H 67 8.091 8.091 8.356 -0.265 25827 377 1 1 . 1 1 68 68 MET N N 68 115.939 115.939 118.113 -2.174 25827 378 1 1 . 1 1 68 68 MET HA H 68 4.297 4.297 4.299 -0.002 25827 379 1 1 . 1 1 68 68 MET C C 68 175.739 175.739 177.157 -1.418 25827 380 1 1 . 1 1 68 68 MET CA C 68 56.490 56.490 56.220 0.270 25827 381 1 1 . 1 1 68 68 MET CB C 68 34.355 34.355 33.330 1.025 25827 382 1 1 . 1 1 68 68 MET H H 68 7.576 7.576 7.501 0.075 25827 383 1 1 . 1 1 69 69 GLY N N 69 104.775 104.775 105.281 -0.506 25827 384 1 1 . 1 1 69 69 GLY C C 69 173.328 173.328 173.824 -0.496 25827 385 1 1 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.300 0.485 25827 386 1 1 . 1 1 69 69 GLY H H 69 7.880 7.880 7.574 0.306 25827 387 1 1 . 1 1 70 70 PHE N N 70 118.809 118.809 120.003 -1.194 25827 388 1 1 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.717 0.195 25827 389 1 1 . 1 1 70 70 PHE C C 70 173.768 173.768 173.966 -0.198 25827 390 1 1 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.019 -0.861 25827 391 1 1 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.536 -0.900 25827 392 1 1 . 1 1 70 70 PHE H H 70 6.905 6.905 7.352 -0.447 25827 393 1 1 . 1 1 71 71 GLU N N 71 119.497 119.497 121.096 -1.599 25827 394 1 1 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.634 -0.053 25827 395 1 1 . 1 1 71 71 GLU C C 71 174.993 174.993 174.402 0.591 25827 396 1 1 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.490 0.722 25827 397 1 1 . 1 1 71 71 GLU CB C 71 31.375 31.375 32.328 -0.953 25827 398 1 1 . 1 1 71 71 GLU H H 71 8.081 8.081 8.493 -0.412 25827 399 1 1 . 1 1 72 72 ALA N N 72 129.662 129.662 127.867 1.795 25827 400 1 1 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.551 0.284 25827 401 1 1 . 1 1 72 72 ALA C C 72 176.179 176.179 175.811 0.368 25827 402 1 1 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.653 -0.661 25827 403 1 1 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.216 0.748 25827 404 1 1 . 1 1 72 72 ALA H H 72 8.925 8.925 8.483 0.442 25827 405 1 1 . 1 1 73 73 SER N N 73 114.042 114.042 115.819 -1.777 25827 406 1 1 . 1 1 73 73 SER HA H 73 4.716 4.716 4.813 -0.097 25827 407 1 1 . 1 1 73 73 SER C C 73 172.675 172.675 173.695 -1.020 25827 408 1 1 . 1 1 73 73 SER CA C 73 57.156 57.156 56.923 0.233 25827 409 1 1 . 1 1 73 73 SER CB C 73 65.581 65.581 66.033 -0.452 25827 410 1 1 . 1 1 73 73 SER H H 73 8.794 8.794 8.240 0.554 25827 411 1 1 . 1 1 74 74 ILE N N 74 122.487 122.487 127.672 -5.185 25827 412 1 1 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.168 -0.192 25827 413 1 1 . 1 1 74 74 ILE C C 74 176.045 176.045 174.366 1.679 25827 414 1 1 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.552 1.024 25827 415 1 1 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.803 -0.332 25827 416 1 1 . 1 1 74 74 ILE H H 74 8.813 8.813 8.620 0.193 25827 417 1 1 . 1 1 75 75 ALA N N 75 131.516 131.516 130.646 0.870 25827 418 1 1 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.648 -0.184 25827 419 1 1 . 1 1 75 75 ALA C C 75 176.045 176.045 175.310 0.735 25827 420 1 1 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.404 0.826 25827 421 1 1 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.003 -2.161 25827 422 1 1 . 1 1 75 75 ALA H H 75 8.400 8.400 7.791 0.609 25827 423 1 2 . 1 1 2 2 GLY N N 2 109.659 109.659 108.536 1.123 25827 424 1 2 . 1 1 2 2 GLY C C 2 174.061 174.061 173.107 0.954 25827 425 1 2 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.601 1.050 25827 426 1 2 . 1 1 2 2 GLY H H 2 8.539 8.539 8.285 0.254 25827 427 1 2 . 1 1 3 3 HIS N N 3 120.603 120.603 119.539 1.064 25827 428 1 2 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.529 -0.120 25827 429 1 2 . 1 1 3 3 HIS C C 3 176.072 176.072 174.627 1.445 25827 430 1 2 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.853 0.158 25827 431 1 2 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.710 2.652 25827 432 1 2 . 1 1 3 3 HIS H H 3 8.030 8.030 8.504 -0.474 25827 433 1 2 . 1 1 4 4 MET N N 4 124.310 124.310 123.579 0.731 25827 434 1 2 . 1 1 4 4 MET C C 4 176.179 176.179 177.121 -0.942 25827 435 1 2 . 1 1 4 4 MET CA C 4 61.071 61.071 56.805 4.266 25827 436 1 2 . 1 1 4 4 MET CB C 4 38.720 38.720 33.008 5.712 25827 437 1 2 . 1 1 4 4 MET H H 4 8.410 8.410 8.628 -0.218 25827 438 1 2 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.482 -0.186 25827 439 1 2 . 1 1 5 5 GLN C C 5 174.687 174.687 174.963 -0.276 25827 440 1 2 . 1 1 5 5 GLN CA C 5 56.218 56.218 55.192 1.026 25827 441 1 2 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.440 0.121 25827 442 1 2 . 1 1 6 6 VAL N N 6 120.095 120.095 118.847 1.248 25827 443 1 2 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.492 -0.145 25827 444 1 2 . 1 1 6 6 VAL C C 6 174.807 174.807 174.290 0.517 25827 445 1 2 . 1 1 6 6 VAL CA C 6 61.418 61.418 59.516 1.902 25827 446 1 2 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.282 0.038 25827 447 1 2 . 1 1 6 6 VAL H H 6 7.942 7.942 8.338 -0.396 25827 448 1 2 . 1 1 7 7 ALA N N 7 130.230 130.230 126.338 3.892 25827 449 1 2 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.939 -0.304 25827 450 1 2 . 1 1 7 7 ALA C C 7 174.913 174.913 175.780 -0.867 25827 451 1 2 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.966 -0.282 25827 452 1 2 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.119 0.518 25827 453 1 2 . 1 1 7 7 ALA H H 7 8.952 8.952 8.289 0.663 25827 454 1 2 . 1 1 8 8 THR N N 8 114.219 114.219 114.069 0.150 25827 455 1 2 . 1 1 8 8 THR HA H 8 5.594 5.594 5.417 0.177 25827 456 1 2 . 1 1 8 8 THR C C 8 174.846 174.846 174.089 0.757 25827 457 1 2 . 1 1 8 8 THR CA C 8 61.524 61.524 60.193 1.331 25827 458 1 2 . 1 1 8 8 THR CB C 8 71.228 71.228 70.918 0.310 25827 459 1 2 . 1 1 8 8 THR H H 8 8.211 8.211 8.414 -0.203 25827 460 1 2 . 1 1 9 9 SER N N 9 121.231 121.231 118.366 2.865 25827 461 1 2 . 1 1 9 9 SER HA H 9 5.049 5.049 4.879 0.170 25827 462 1 2 . 1 1 9 9 SER C C 9 172.023 172.023 173.127 -1.104 25827 463 1 2 . 1 1 9 9 SER CA C 9 57.822 57.822 57.094 0.728 25827 464 1 2 . 1 1 9 9 SER CB C 9 67.178 67.178 65.633 1.545 25827 465 1 2 . 1 1 9 9 SER H H 9 9.329 9.329 8.724 0.605 25827 466 1 2 . 1 1 10 10 THR N N 10 119.646 119.646 118.861 0.785 25827 467 1 2 . 1 1 10 10 THR HA H 10 5.423 5.423 5.473 -0.050 25827 468 1 2 . 1 1 10 10 THR C C 10 173.754 173.754 173.807 -0.053 25827 469 1 2 . 1 1 10 10 THR CA C 10 61.591 61.591 60.036 1.555 25827 470 1 2 . 1 1 10 10 THR CB C 10 70.230 70.230 70.324 -0.094 25827 471 1 2 . 1 1 10 10 THR H H 10 8.790 8.790 8.739 0.051 25827 472 1 2 . 1 1 11 11 VAL N N 11 122.726 122.726 118.967 3.759 25827 473 1 2 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.321 -0.633 25827 474 1 2 . 1 1 11 11 VAL C C 11 174.940 174.940 174.126 0.814 25827 475 1 2 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.135 0.352 25827 476 1 2 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.714 -0.507 25827 477 1 2 . 1 1 11 11 VAL H H 11 8.973 8.973 9.208 -0.235 25827 478 1 2 . 1 1 12 12 ARG N N 12 127.240 127.240 121.716 5.524 25827 479 1 2 . 1 1 12 12 ARG HA H 12 4.551 4.551 5.224 -0.673 25827 480 1 2 . 1 1 12 12 ARG C C 12 175.632 175.632 175.352 0.280 25827 481 1 2 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.093 1.638 25827 482 1 2 . 1 1 12 12 ARG CB C 12 31.020 31.020 33.157 -2.136 25827 483 1 2 . 1 1 12 12 ARG H H 12 9.274 9.274 8.934 0.340 25827 484 1 2 . 1 1 13 13 ILE N N 13 123.234 123.234 122.174 1.060 25827 485 1 2 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.695 0.046 25827 486 1 2 . 1 1 13 13 ILE C C 13 174.540 174.540 174.810 -0.270 25827 487 1 2 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.522 0.456 25827 488 1 2 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.695 0.792 25827 489 1 2 . 1 1 13 13 ILE H H 13 8.210 8.210 8.926 -0.716 25827 490 1 2 . 1 1 14 14 LEU N N 14 128.287 128.287 129.641 -1.354 25827 491 1 2 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.807 -0.042 25827 492 1 2 . 1 1 14 14 LEU C C 14 177.391 177.391 174.691 2.700 25827 493 1 2 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.734 0.373 25827 494 1 2 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.949 -1.333 25827 495 1 2 . 1 1 14 14 LEU H H 14 9.146 9.146 9.058 0.088 25827 496 1 2 . 1 1 15 15 GLY N N 15 107.835 107.835 110.474 -2.639 25827 497 1 2 . 1 1 15 15 GLY C C 15 175.726 175.726 174.885 0.841 25827 498 1 2 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.291 0.053 25827 499 1 2 . 1 1 15 15 GLY H H 15 8.515 8.515 7.990 0.525 25827 500 1 2 . 1 1 16 16 MET N N 16 120.244 120.244 118.992 1.252 25827 501 1 2 . 1 1 16 16 MET HA H 16 4.699 4.699 4.311 0.388 25827 502 1 2 . 1 1 16 16 MET C C 16 177.404 177.404 176.495 0.909 25827 503 1 2 . 1 1 16 16 MET CA C 16 57.116 57.116 58.172 -1.056 25827 504 1 2 . 1 1 16 16 MET CB C 16 34.852 34.852 32.955 1.897 25827 505 1 2 . 1 1 16 16 MET H H 16 8.925 8.925 8.875 0.050 25827 506 1 2 . 1 1 17 17 THR C C 17 174.700 174.700 174.217 0.483 25827 507 1 2 . 1 1 17 17 THR CA C 17 62.736 62.736 60.587 2.149 25827 508 1 2 . 1 1 17 17 THR CB C 17 64.427 64.427 68.169 -3.742 25827 509 1 2 . 1 1 18 18 CYS N N 18 120.513 120.513 124.187 -3.674 25827 510 1 2 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.161 0.262 25827 511 1 2 . 1 1 18 18 CYS C C 18 177.431 177.431 176.282 1.149 25827 512 1 2 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.919 -5.412 25827 513 1 2 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.412 14.852 25827 514 1 2 . 1 1 18 18 CYS H H 18 8.691 8.691 8.669 0.022 25827 515 1 2 . 1 1 19 19 GLN N N 19 121.231 121.231 119.687 1.544 25827 516 1 2 . 1 1 19 19 GLN HA H 19 4.338 4.338 4.045 0.293 25827 517 1 2 . 1 1 19 19 GLN C C 19 175.832 175.832 177.861 -2.029 25827 518 1 2 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.121 -2.538 25827 519 1 2 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.556 3.122 25827 520 1 2 . 1 1 19 19 GLN H H 19 8.342 8.342 8.541 -0.199 25827 521 1 2 . 1 1 20 20 SER N N 20 116.089 116.089 116.138 -0.049 25827 522 1 2 . 1 1 20 20 SER HA H 20 4.381 4.381 4.246 0.135 25827 523 1 2 . 1 1 20 20 SER C C 20 177.004 177.004 176.527 0.477 25827 524 1 2 . 1 1 20 20 SER H H 20 7.953 7.953 8.612 -0.659 25827 525 1 2 . 1 1 21 21 CYS N N 21 125.147 125.147 119.192 5.955 25827 526 1 2 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.735 0.347 25827 527 1 2 . 1 1 21 21 CYS C C 21 177.004 177.004 176.362 0.642 25827 528 1 2 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.697 2.465 25827 529 1 2 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.021 3.833 25827 530 1 2 . 1 1 21 21 CYS H H 21 7.854 7.854 7.281 0.573 25827 531 1 2 . 1 1 22 22 VAL N N 22 118.062 118.062 122.895 -4.833 25827 532 1 2 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.471 0.881 25827 533 1 2 . 1 1 22 22 VAL C C 22 177.178 177.178 177.897 -0.719 25827 534 1 2 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.210 -0.665 25827 535 1 2 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.170 0.560 25827 536 1 2 . 1 1 22 22 VAL H H 22 6.834 6.834 7.874 -1.040 25827 537 1 2 . 1 1 23 23 LYS N N 23 117.823 117.823 120.186 -2.363 25827 538 1 2 . 1 1 23 23 LYS HA H 23 4.082 4.082 4.008 0.074 25827 539 1 2 . 1 1 23 23 LYS C C 23 178.456 178.456 178.741 -0.285 25827 540 1 2 . 1 1 23 23 LYS CA C 23 58.794 58.794 58.979 -0.185 25827 541 1 2 . 1 1 23 23 LYS CB C 23 32.439 32.439 31.895 0.544 25827 542 1 2 . 1 1 23 23 LYS H H 23 7.936 7.936 8.316 -0.380 25827 543 1 2 . 1 1 24 24 SER N N 24 113.895 113.895 115.822 -1.927 25827 544 1 2 . 1 1 24 24 SER HA H 24 4.068 4.068 4.181 -0.113 25827 545 1 2 . 1 1 24 24 SER C C 24 177.364 177.364 176.775 0.589 25827 546 1 2 . 1 1 24 24 SER CA C 24 62.017 62.017 62.507 -0.490 25827 547 1 2 . 1 1 24 24 SER CB C 24 62.600 62.600 62.995 -0.395 25827 548 1 2 . 1 1 24 24 SER H H 24 8.062 8.062 7.874 0.188 25827 549 1 2 . 1 1 25 25 ILE N N 25 122.845 122.845 118.458 4.387 25827 550 1 2 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.755 -0.213 25827 551 1 2 . 1 1 25 25 ILE C C 25 177.537 177.537 177.199 0.338 25827 552 1 2 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.661 1.351 25827 553 1 2 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.348 1.443 25827 554 1 2 . 1 1 25 25 ILE H H 25 7.888 7.888 7.939 -0.051 25827 555 1 2 . 1 1 26 26 GLU N N 26 118.630 118.630 123.158 -4.528 25827 556 1 2 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.908 -0.280 25827 557 1 2 . 1 1 26 26 GLU C C 26 180.041 180.041 178.656 1.385 25827 558 1 2 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.722 1.456 25827 559 1 2 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.535 0.066 25827 560 1 2 . 1 1 26 26 GLU H H 26 8.519 8.519 8.226 0.293 25827 561 1 2 . 1 1 27 27 ASP N N 27 119.676 119.676 119.764 -0.088 25827 562 1 2 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.370 -0.032 25827 563 1 2 . 1 1 27 27 ASP C C 27 178.070 178.070 178.862 -0.792 25827 564 1 2 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.582 -0.053 25827 565 1 2 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.932 -0.509 25827 566 1 2 . 1 1 27 27 ASP H H 27 8.973 8.973 8.354 0.619 25827 567 1 2 . 1 1 28 28 ARG N N 28 118.092 118.092 119.103 -1.011 25827 568 1 2 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.092 0.089 25827 569 1 2 . 1 1 28 28 ARG C C 28 179.296 179.296 179.212 0.084 25827 570 1 2 . 1 1 28 28 ARG CA C 28 58.595 58.595 59.215 -0.620 25827 571 1 2 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.446 -0.136 25827 572 1 2 . 1 1 28 28 ARG H H 28 7.630 7.630 7.681 -0.051 25827 573 1 2 . 1 1 29 29 ILE N N 29 116.597 116.597 119.804 -3.207 25827 574 1 2 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.685 0.262 25827 575 1 2 . 1 1 29 29 ILE C C 29 177.777 177.777 176.696 1.081 25827 576 1 2 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.951 -4.266 25827 577 1 2 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.795 -2.517 25827 578 1 2 . 1 1 29 29 ILE H H 29 8.427 8.427 8.303 0.124 25827 579 1 2 . 1 1 30 30 SER N N 30 113.160 113.160 113.245 -0.085 25827 580 1 2 . 1 1 30 30 SER HA H 30 4.049 4.049 4.157 -0.108 25827 581 1 2 . 1 1 30 30 SER C C 30 173.941 173.941 176.205 -2.264 25827 582 1 2 . 1 1 30 30 SER CA C 30 62.110 62.110 60.852 1.258 25827 583 1 2 . 1 1 30 30 SER CB C 30 62.884 62.884 63.508 -0.624 25827 584 1 2 . 1 1 30 30 SER H H 30 8.236 8.236 8.216 0.020 25827 585 1 2 . 1 1 31 31 ASN N N 31 115.520 115.520 118.483 -2.963 25827 586 1 2 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.604 0.170 25827 587 1 2 . 1 1 31 31 ASN C C 31 175.046 175.046 175.311 -0.265 25827 588 1 2 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.704 -1.157 25827 589 1 2 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.981 1.016 25827 590 1 2 . 1 1 31 31 ASN H H 31 6.919 6.919 7.774 -0.855 25827 591 1 2 . 1 1 32 32 LEU N N 32 122.666 122.666 120.367 2.299 25827 592 1 2 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.301 0.035 25827 593 1 2 . 1 1 32 32 LEU C C 32 177.071 177.071 176.000 1.071 25827 594 1 2 . 1 1 32 32 LEU CA C 32 54.839 54.839 55.643 -0.804 25827 595 1 2 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.723 -0.916 25827 596 1 2 . 1 1 32 32 LEU H H 32 7.620 7.620 7.085 0.535 25827 597 1 2 . 1 1 33 33 LYS N N 33 125.955 125.955 126.350 -0.395 25827 598 1 2 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.478 -0.424 25827 599 1 2 . 1 1 33 33 LYS C C 33 176.698 176.698 177.637 -0.939 25827 600 1 2 . 1 1 33 33 LYS CA C 33 57.982 57.982 55.992 1.990 25827 601 1 2 . 1 1 33 33 LYS CB C 33 31.942 31.942 33.309 -1.367 25827 602 1 2 . 1 1 33 33 LYS H H 33 8.451 8.451 8.508 -0.057 25827 603 1 2 . 1 1 34 34 GLY N N 34 110.541 110.541 107.923 2.618 25827 604 1 2 . 1 1 34 34 GLY C C 34 173.381 173.381 174.130 -0.749 25827 605 1 2 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.067 0.477 25827 606 1 2 . 1 1 34 34 GLY H H 34 8.616 8.616 8.756 -0.140 25827 607 1 2 . 1 1 35 35 ILE N N 35 119.258 119.258 117.321 1.937 25827 608 1 2 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.389 -0.117 25827 609 1 2 . 1 1 35 35 ILE C C 35 176.352 176.352 174.976 1.376 25827 610 1 2 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.969 -3.361 25827 611 1 2 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.342 -3.313 25827 612 1 2 . 1 1 35 35 ILE H H 35 7.580 7.580 7.401 0.179 25827 613 1 2 . 1 1 36 36 ILE N N 36 130.708 130.708 127.086 3.622 25827 614 1 2 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.365 -0.284 25827 615 1 2 . 1 1 36 36 ILE C C 36 176.298 176.298 176.621 -0.323 25827 616 1 2 . 1 1 36 36 ILE CA C 36 61.791 61.791 61.647 0.144 25827 617 1 2 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.293 -0.141 25827 618 1 2 . 1 1 36 36 ILE H H 36 9.244 9.244 8.477 0.767 25827 619 1 2 . 1 1 37 37 SER N N 37 111.336 111.336 112.251 -0.915 25827 620 1 2 . 1 1 37 37 SER HA H 37 4.613 4.613 4.754 -0.141 25827 621 1 2 . 1 1 37 37 SER C C 37 171.809 171.809 172.202 -0.393 25827 622 1 2 . 1 1 37 37 SER CA C 37 57.636 57.636 58.284 -0.648 25827 623 1 2 . 1 1 37 37 SER CB C 37 64.729 64.729 64.774 -0.045 25827 624 1 2 . 1 1 37 37 SER H H 37 8.002 8.002 7.799 0.203 25827 625 1 2 . 1 1 38 38 MET N N 38 123.742 123.742 120.547 3.195 25827 626 1 2 . 1 1 38 38 MET HA H 38 5.006 5.006 5.287 -0.281 25827 627 1 2 . 1 1 38 38 MET C C 38 172.755 172.755 174.859 -2.104 25827 628 1 2 . 1 1 38 38 MET CA C 38 54.719 54.719 54.605 0.114 25827 629 1 2 . 1 1 38 38 MET CB C 38 35.562 35.562 36.825 -1.263 25827 630 1 2 . 1 1 38 38 MET H H 38 8.651 8.651 8.243 0.408 25827 631 1 2 . 1 1 39 39 LYS N N 39 126.343 126.343 121.457 4.886 25827 632 1 2 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.745 0.209 25827 633 1 2 . 1 1 39 39 LYS C C 39 175.872 175.872 174.763 1.109 25827 634 1 2 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.273 -1.366 25827 635 1 2 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.343 -1.739 25827 636 1 2 . 1 1 39 39 LYS H H 39 8.173 8.173 9.123 -0.950 25827 637 1 2 . 1 1 40 40 VAL N N 40 131.217 131.217 119.236 11.981 25827 638 1 2 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.385 -0.118 25827 639 1 2 . 1 1 40 40 VAL C C 40 174.327 174.327 175.053 -0.726 25827 640 1 2 . 1 1 40 40 VAL CA C 40 61.899 61.899 60.589 1.310 25827 641 1 2 . 1 1 40 40 VAL CB C 40 32.617 32.617 34.129 -1.512 25827 642 1 2 . 1 1 40 40 VAL H H 40 10.339 10.339 8.352 1.987 25827 643 1 2 . 1 1 41 41 SER N N 41 121.440 121.440 121.580 -0.140 25827 644 1 2 . 1 1 41 41 SER HA H 41 4.878 4.878 4.797 0.081 25827 645 1 2 . 1 1 41 41 SER C C 41 175.179 175.179 173.974 1.205 25827 646 1 2 . 1 1 41 41 SER CA C 41 55.359 55.359 57.276 -1.917 25827 647 1 2 . 1 1 41 41 SER CB C 41 63.381 63.381 63.961 -0.580 25827 648 1 2 . 1 1 41 41 SER H H 41 9.122 9.122 8.653 0.469 25827 649 1 2 . 1 1 42 42 LEU N N 42 131.575 131.575 128.390 3.185 25827 650 1 2 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.974 0.831 25827 651 1 2 . 1 1 42 42 LEU C C 42 179.189 179.189 177.918 1.271 25827 652 1 2 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.611 0.651 25827 653 1 2 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.305 -0.392 25827 654 1 2 . 1 1 42 42 LEU H H 42 9.139 9.139 8.706 0.433 25827 655 1 2 . 1 1 43 43 GLU N N 43 117.524 117.524 119.086 -1.562 25827 656 1 2 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.023 0.782 25827 657 1 2 . 1 1 43 43 GLU C C 43 178.456 178.456 177.882 0.574 25827 658 1 2 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.681 1.245 25827 659 1 2 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.854 0.463 25827 660 1 2 . 1 1 43 43 GLU H H 43 9.041 9.041 8.515 0.526 25827 661 1 2 . 1 1 44 44 GLN N N 44 113.278 113.278 116.828 -3.550 25827 662 1 2 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.253 0.083 25827 663 1 2 . 1 1 44 44 GLN C C 44 176.765 176.765 176.752 0.013 25827 664 1 2 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.957 -0.412 25827 665 1 2 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.424 0.177 25827 666 1 2 . 1 1 44 44 GLN H H 44 7.651 7.651 8.207 -0.556 25827 667 1 2 . 1 1 45 45 GLY N N 45 110.453 110.453 108.120 2.333 25827 668 1 2 . 1 1 45 45 GLY C C 45 174.487 174.487 173.535 0.952 25827 669 1 2 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.644 1.698 25827 670 1 2 . 1 1 45 45 GLY H H 45 7.884 7.884 8.115 -0.231 25827 671 1 2 . 1 1 46 46 SER N N 46 111.130 111.130 115.981 -4.851 25827 672 1 2 . 1 1 46 46 SER HA H 46 5.412 5.412 5.624 -0.212 25827 673 1 2 . 1 1 46 46 SER C C 46 171.503 171.503 172.351 -0.848 25827 674 1 2 . 1 1 46 46 SER CA C 46 56.544 56.544 56.845 -0.301 25827 675 1 2 . 1 1 46 46 SER CB C 46 66.327 66.327 66.755 -0.428 25827 676 1 2 . 1 1 46 46 SER H H 46 7.807 7.807 7.455 0.352 25827 677 1 2 . 1 1 47 47 ALA N N 47 120.663 120.663 124.259 -3.596 25827 678 1 2 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.873 0.422 25827 679 1 2 . 1 1 47 47 ALA C C 47 175.806 175.806 175.434 0.372 25827 680 1 2 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.651 -0.299 25827 681 1 2 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.604 2.347 25827 682 1 2 . 1 1 47 47 ALA H H 47 9.349 9.349 9.232 0.117 25827 683 1 2 . 1 1 48 48 THR N N 48 117.344 117.344 118.303 -0.959 25827 684 1 2 . 1 1 48 48 THR HA H 48 4.880 4.880 5.225 -0.345 25827 685 1 2 . 1 1 48 48 THR C C 48 173.847 173.847 173.448 0.399 25827 686 1 2 . 1 1 48 48 THR CA C 48 62.163 62.163 61.346 0.817 25827 687 1 2 . 1 1 48 48 THR CB C 48 69.698 69.698 70.325 -0.627 25827 688 1 2 . 1 1 48 48 THR H H 48 8.634 8.634 8.964 -0.330 25827 689 1 2 . 1 1 49 49 VAL N N 49 129.782 129.782 126.700 3.082 25827 690 1 2 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.358 0.500 25827 691 1 2 . 1 1 49 49 VAL C C 49 173.208 173.208 174.050 -0.842 25827 692 1 2 . 1 1 49 49 VAL CA C 49 59.860 59.860 60.851 -0.991 25827 693 1 2 . 1 1 49 49 VAL CB C 49 34.852 34.852 33.283 1.569 25827 694 1 2 . 1 1 49 49 VAL H H 49 9.400 9.400 9.325 0.075 25827 695 1 2 . 1 1 50 50 LYS N N 50 128.107 128.107 129.425 -1.318 25827 696 1 2 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.089 0.835 25827 697 1 2 . 1 1 50 50 LYS C C 50 176.671 176.671 174.642 2.029 25827 698 1 2 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.985 0.067 25827 699 1 2 . 1 1 50 50 LYS CB C 50 34.355 34.355 33.785 0.570 25827 700 1 2 . 1 1 50 50 LYS H H 50 8.997 8.997 8.731 0.266 25827 701 1 2 . 1 1 51 51 TYR N N 51 124.310 124.310 125.453 -1.143 25827 702 1 2 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.747 0.804 25827 703 1 2 . 1 1 51 51 TYR C C 51 171.343 171.343 173.620 -2.277 25827 704 1 2 . 1 1 51 51 TYR CA C 51 55.492 55.492 57.864 -2.373 25827 705 1 2 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.090 -1.638 25827 706 1 2 . 1 1 51 51 TYR H H 51 9.478 9.478 8.594 0.884 25827 707 1 2 . 1 1 52 52 VAL N N 52 122.068 122.068 124.786 -2.718 25827 708 1 2 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.205 0.515 25827 709 1 2 . 1 1 52 52 VAL C C 52 176.045 176.045 175.242 0.803 25827 710 1 2 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.425 -0.845 25827 711 1 2 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.588 1.100 25827 712 1 2 . 1 1 52 52 VAL H H 52 8.702 8.702 8.319 0.383 25827 713 1 2 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.677 -0.310 25827 714 1 2 . 1 1 53 53 PRO C C 53 177.111 177.111 177.818 -0.707 25827 715 1 2 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.728 -0.387 25827 716 1 2 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.897 0.043 25827 717 1 2 . 1 1 54 54 SER N N 54 109.924 109.924 113.223 -3.299 25827 718 1 2 . 1 1 54 54 SER HA H 54 4.345 4.345 4.278 0.067 25827 719 1 2 . 1 1 54 54 SER C C 54 174.580 174.580 175.374 -0.794 25827 720 1 2 . 1 1 54 54 SER CA C 54 59.726 59.726 60.579 -0.853 25827 721 1 2 . 1 1 54 54 SER CB C 54 62.635 62.635 62.933 -0.298 25827 722 1 2 . 1 1 54 54 SER H H 54 7.898 7.898 8.050 -0.152 25827 723 1 2 . 1 1 55 55 VAL N N 55 121.919 121.919 121.094 0.825 25827 724 1 2 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.072 0.051 25827 725 1 2 . 1 1 55 55 VAL C C 55 174.607 174.607 175.833 -1.226 25827 726 1 2 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.412 -0.690 25827 727 1 2 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.793 1.775 25827 728 1 2 . 1 1 55 55 VAL H H 55 8.163 8.163 7.472 0.691 25827 729 1 2 . 1 1 56 56 VAL N N 56 121.380 121.380 117.782 3.598 25827 730 1 2 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.388 0.183 25827 731 1 2 . 1 1 56 56 VAL C C 56 170.477 170.477 175.211 -4.734 25827 732 1 2 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.142 -0.309 25827 733 1 2 . 1 1 56 56 VAL CB C 56 35.420 35.420 33.646 1.774 25827 734 1 2 . 1 1 56 56 VAL H H 56 8.254 8.254 7.922 0.332 25827 735 1 2 . 1 1 57 57 CYS N N 57 121.201 121.201 124.335 -3.134 25827 736 1 2 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.602 0.502 25827 737 1 2 . 1 1 57 57 CYS C C 57 176.591 176.591 175.857 0.734 25827 738 1 2 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.558 -1.933 25827 739 1 2 . 1 1 57 57 CYS CB C 57 30.878 30.878 29.312 1.566 25827 740 1 2 . 1 1 57 57 CYS H H 57 7.885 7.885 8.765 -0.880 25827 741 1 2 . 1 1 58 58 LEU N N 58 125.028 125.028 123.008 2.020 25827 742 1 2 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.078 -0.450 25827 743 1 2 . 1 1 58 58 LEU C C 58 179.335 179.335 178.929 0.406 25827 744 1 2 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.394 0.011 25827 745 1 2 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.417 -0.110 25827 746 1 2 . 1 1 58 58 LEU H H 58 8.555 8.555 8.682 -0.127 25827 747 1 2 . 1 1 59 59 GLN N N 59 120.812 120.812 118.241 2.571 25827 748 1 2 . 1 1 59 59 GLN HA H 59 3.969 3.969 4.054 -0.085 25827 749 1 2 . 1 1 59 59 GLN C C 59 178.629 178.629 178.690 -0.061 25827 750 1 2 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.271 0.482 25827 751 1 2 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.826 0.062 25827 752 1 2 . 1 1 59 59 GLN H H 59 9.081 9.081 8.702 0.379 25827 753 1 2 . 1 1 60 60 GLN N N 60 120.513 120.513 118.767 1.746 25827 754 1 2 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.171 -0.010 25827 755 1 2 . 1 1 60 60 GLN C C 60 179.002 179.002 178.612 0.390 25827 756 1 2 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.831 0.056 25827 757 1 2 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.632 0.117 25827 758 1 2 . 1 1 60 60 GLN H H 60 7.793 7.793 7.647 0.146 25827 759 1 2 . 1 1 61 61 VAL N N 61 119.886 119.886 119.994 -0.108 25827 760 1 2 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.924 -0.630 25827 761 1 2 . 1 1 61 61 VAL C C 61 177.564 177.564 177.983 -0.419 25827 762 1 2 . 1 1 61 61 VAL CA C 61 67.104 67.104 65.794 1.310 25827 763 1 2 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.677 -0.444 25827 764 1 2 . 1 1 61 61 VAL H H 61 7.359 7.359 7.417 -0.058 25827 765 1 2 . 1 1 62 62 CYS N N 62 116.059 116.059 117.597 -1.538 25827 766 1 2 . 1 1 62 62 CYS HA H 62 3.804 3.804 3.974 -0.170 25827 767 1 2 . 1 1 62 62 CYS C C 62 177.630 177.630 176.865 0.765 25827 768 1 2 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.448 0.219 25827 769 1 2 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.886 -0.373 25827 770 1 2 . 1 1 62 62 CYS H H 62 8.034 8.034 8.016 0.018 25827 771 1 2 . 1 1 63 63 HIS N N 63 121.440 121.440 118.518 2.922 25827 772 1 2 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.262 0.161 25827 773 1 2 . 1 1 63 63 HIS C C 63 178.097 178.097 177.822 0.275 25827 774 1 2 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.120 -0.780 25827 775 1 2 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.538 0.843 25827 776 1 2 . 1 1 63 63 HIS H H 63 8.430 8.430 7.939 0.491 25827 777 1 2 . 1 1 64 64 GLN N N 64 118.839 118.839 119.281 -0.442 25827 778 1 2 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.071 -0.044 25827 779 1 2 . 1 1 64 64 GLN C C 64 178.536 178.536 178.551 -0.015 25827 780 1 2 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.103 0.237 25827 781 1 2 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.662 -0.552 25827 782 1 2 . 1 1 64 64 GLN H H 64 8.102 8.102 7.876 0.226 25827 783 1 2 . 1 1 65 65 ILE N N 65 119.228 119.228 120.022 -0.794 25827 784 1 2 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.955 -0.270 25827 785 1 2 . 1 1 65 65 ILE C C 65 178.656 178.656 177.419 1.237 25827 786 1 2 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.412 2.640 25827 787 1 2 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.114 0.252 25827 788 1 2 . 1 1 65 65 ILE H H 65 7.858 7.858 7.448 0.410 25827 789 1 2 . 1 1 66 66 GLY N N 66 109.453 109.453 107.742 1.711 25827 790 1 2 . 1 1 66 66 GLY C C 66 178.643 178.643 176.307 2.336 25827 791 1 2 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.243 -0.141 25827 792 1 2 . 1 1 66 66 GLY H H 66 8.379 8.379 8.250 0.129 25827 793 1 2 . 1 1 67 67 ASP N N 67 123.114 123.114 121.919 1.195 25827 794 1 2 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.421 0.043 25827 795 1 2 . 1 1 67 67 ASP C C 67 177.497 177.497 177.667 -0.170 25827 796 1 2 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.527 0.030 25827 797 1 2 . 1 1 67 67 ASP CB C 67 41.097 41.097 41.041 0.056 25827 798 1 2 . 1 1 67 67 ASP H H 67 8.091 8.091 8.336 -0.245 25827 799 1 2 . 1 1 68 68 MET N N 68 115.939 115.939 117.314 -1.375 25827 800 1 2 . 1 1 68 68 MET HA H 68 4.297 4.297 4.360 -0.063 25827 801 1 2 . 1 1 68 68 MET C C 68 175.739 175.739 176.982 -1.243 25827 802 1 2 . 1 1 68 68 MET CA C 68 56.490 56.490 55.896 0.594 25827 803 1 2 . 1 1 68 68 MET CB C 68 34.355 34.355 33.581 0.774 25827 804 1 2 . 1 1 68 68 MET H H 68 7.576 7.576 7.571 0.005 25827 805 1 2 . 1 1 69 69 GLY N N 69 104.775 104.775 105.248 -0.473 25827 806 1 2 . 1 1 69 69 GLY C C 69 173.328 173.328 173.916 -0.588 25827 807 1 2 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.360 0.425 25827 808 1 2 . 1 1 69 69 GLY H H 69 7.880 7.880 7.615 0.265 25827 809 1 2 . 1 1 70 70 PHE N N 70 118.809 118.809 120.599 -1.790 25827 810 1 2 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.693 0.219 25827 811 1 2 . 1 1 70 70 PHE C C 70 173.768 173.768 174.573 -0.805 25827 812 1 2 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.399 -1.241 25827 813 1 2 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.099 -0.463 25827 814 1 2 . 1 1 70 70 PHE H H 70 6.905 6.905 7.609 -0.704 25827 815 1 2 . 1 1 71 71 GLU N N 71 119.497 119.497 120.883 -1.386 25827 816 1 2 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.628 -0.047 25827 817 1 2 . 1 1 71 71 GLU C C 71 174.993 174.993 174.958 0.035 25827 818 1 2 . 1 1 71 71 GLU CA C 71 56.212 56.212 56.039 0.173 25827 819 1 2 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.604 -0.229 25827 820 1 2 . 1 1 71 71 GLU H H 71 8.081 8.081 8.341 -0.260 25827 821 1 2 . 1 1 72 72 ALA N N 72 129.662 129.662 126.517 3.145 25827 822 1 2 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.361 0.474 25827 823 1 2 . 1 1 72 72 ALA C C 72 176.179 176.179 175.773 0.406 25827 824 1 2 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.994 -1.002 25827 825 1 2 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.374 0.590 25827 826 1 2 . 1 1 72 72 ALA H H 72 8.925 8.925 8.430 0.495 25827 827 1 2 . 1 1 73 73 SER N N 73 114.042 114.042 116.192 -2.150 25827 828 1 2 . 1 1 73 73 SER HA H 73 4.716 4.716 4.848 -0.132 25827 829 1 2 . 1 1 73 73 SER C C 73 172.675 172.675 173.514 -0.839 25827 830 1 2 . 1 1 73 73 SER CA C 73 57.156 57.156 56.245 0.911 25827 831 1 2 . 1 1 73 73 SER CB C 73 65.581 65.581 65.333 0.248 25827 832 1 2 . 1 1 73 73 SER H H 73 8.794 8.794 8.440 0.354 25827 833 1 2 . 1 1 74 74 ILE N N 74 122.487 122.487 125.713 -3.226 25827 834 1 2 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.428 -0.452 25827 835 1 2 . 1 1 74 74 ILE C C 74 176.045 176.045 174.444 1.601 25827 836 1 2 . 1 1 74 74 ILE CA C 74 62.576 62.576 60.287 2.289 25827 837 1 2 . 1 1 74 74 ILE CB C 74 38.471 38.471 39.798 -1.327 25827 838 1 2 . 1 1 74 74 ILE H H 74 8.813 8.813 8.620 0.193 25827 839 1 2 . 1 1 75 75 ALA N N 75 131.516 131.516 130.418 1.098 25827 840 1 2 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.717 -0.253 25827 841 1 2 . 1 1 75 75 ALA C C 75 176.045 176.045 175.254 0.791 25827 842 1 2 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.064 1.165 25827 843 1 2 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.281 -2.439 25827 844 1 2 . 1 1 75 75 ALA H H 75 8.400 8.400 8.877 -0.477 25827 845 1 3 . 1 1 2 2 GLY N N 2 109.659 109.659 108.975 0.684 25827 846 1 3 . 1 1 2 2 GLY C C 2 174.061 174.061 173.474 0.587 25827 847 1 3 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.044 0.607 25827 848 1 3 . 1 1 2 2 GLY H H 2 8.539 8.539 8.243 0.296 25827 849 1 3 . 1 1 3 3 HIS N N 3 120.603 120.603 120.699 -0.096 25827 850 1 3 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.512 -0.103 25827 851 1 3 . 1 1 3 3 HIS C C 3 176.072 176.072 175.326 0.746 25827 852 1 3 . 1 1 3 3 HIS CA C 3 56.011 56.011 56.049 -0.038 25827 853 1 3 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.608 2.754 25827 854 1 3 . 1 1 3 3 HIS H H 3 8.030 8.030 8.485 -0.455 25827 855 1 3 . 1 1 4 4 MET N N 4 124.310 124.310 125.251 -0.941 25827 856 1 3 . 1 1 4 4 MET C C 4 176.179 176.179 175.224 0.955 25827 857 1 3 . 1 1 4 4 MET CA C 4 61.071 61.071 54.505 6.566 25827 858 1 3 . 1 1 4 4 MET CB C 4 38.720 38.720 32.627 6.093 25827 859 1 3 . 1 1 4 4 MET H H 4 8.410 8.410 8.053 0.357 25827 860 1 3 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.465 -0.169 25827 861 1 3 . 1 1 5 5 GLN C C 5 174.687 174.687 174.606 0.081 25827 862 1 3 . 1 1 5 5 GLN CA C 5 56.218 56.218 55.648 0.570 25827 863 1 3 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.462 0.099 25827 864 1 3 . 1 1 6 6 VAL N N 6 120.095 120.095 126.355 -6.260 25827 865 1 3 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.261 0.086 25827 866 1 3 . 1 1 6 6 VAL C C 6 174.807 174.807 174.709 0.098 25827 867 1 3 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.255 0.162 25827 868 1 3 . 1 1 6 6 VAL CB C 6 34.320 34.320 33.230 1.090 25827 869 1 3 . 1 1 6 6 VAL H H 6 7.942 7.942 8.361 -0.419 25827 870 1 3 . 1 1 7 7 ALA N N 7 130.230 130.230 131.895 -1.665 25827 871 1 3 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.803 -0.168 25827 872 1 3 . 1 1 7 7 ALA C C 7 174.913 174.913 176.215 -1.302 25827 873 1 3 . 1 1 7 7 ALA CA C 7 50.684 50.684 51.269 -0.585 25827 874 1 3 . 1 1 7 7 ALA CB C 7 21.637 21.637 20.109 1.528 25827 875 1 3 . 1 1 7 7 ALA H H 7 8.952 8.952 8.787 0.165 25827 876 1 3 . 1 1 8 8 THR N N 8 114.219 114.219 114.799 -0.580 25827 877 1 3 . 1 1 8 8 THR HA H 8 5.594 5.594 5.389 0.205 25827 878 1 3 . 1 1 8 8 THR C C 8 174.846 174.846 173.551 1.295 25827 879 1 3 . 1 1 8 8 THR CA C 8 61.524 61.524 59.482 2.042 25827 880 1 3 . 1 1 8 8 THR CB C 8 71.228 71.228 71.141 0.087 25827 881 1 3 . 1 1 8 8 THR H H 8 8.211 8.211 8.258 -0.047 25827 882 1 3 . 1 1 9 9 SER N N 9 121.231 121.231 118.038 3.193 25827 883 1 3 . 1 1 9 9 SER HA H 9 5.049 5.049 4.688 0.361 25827 884 1 3 . 1 1 9 9 SER C C 9 172.023 172.023 172.504 -0.481 25827 885 1 3 . 1 1 9 9 SER CA C 9 57.822 57.822 57.942 -0.120 25827 886 1 3 . 1 1 9 9 SER CB C 9 67.178 67.178 65.823 1.355 25827 887 1 3 . 1 1 9 9 SER H H 9 9.329 9.329 8.449 0.880 25827 888 1 3 . 1 1 10 10 THR N N 10 119.646 119.646 113.797 5.849 25827 889 1 3 . 1 1 10 10 THR HA H 10 5.423 5.423 5.344 0.079 25827 890 1 3 . 1 1 10 10 THR C C 10 173.754 173.754 173.503 0.251 25827 891 1 3 . 1 1 10 10 THR CA C 10 61.591 61.591 60.512 1.079 25827 892 1 3 . 1 1 10 10 THR CB C 10 70.230 70.230 70.636 -0.406 25827 893 1 3 . 1 1 10 10 THR H H 10 8.790 8.790 9.003 -0.213 25827 894 1 3 . 1 1 11 11 VAL N N 11 122.726 122.726 125.905 -3.179 25827 895 1 3 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.088 -0.400 25827 896 1 3 . 1 1 11 11 VAL C C 11 174.940 174.940 174.383 0.557 25827 897 1 3 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.161 0.326 25827 898 1 3 . 1 1 11 11 VAL CB C 11 35.207 35.207 34.579 0.628 25827 899 1 3 . 1 1 11 11 VAL H H 11 8.973 8.973 9.081 -0.108 25827 900 1 3 . 1 1 12 12 ARG N N 12 127.240 127.240 128.490 -1.250 25827 901 1 3 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.920 -0.369 25827 902 1 3 . 1 1 12 12 ARG C C 12 175.632 175.632 175.316 0.316 25827 903 1 3 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.794 0.937 25827 904 1 3 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.855 -0.835 25827 905 1 3 . 1 1 12 12 ARG H H 12 9.274 9.274 9.085 0.189 25827 906 1 3 . 1 1 13 13 ILE N N 13 123.234 123.234 122.143 1.091 25827 907 1 3 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.539 0.202 25827 908 1 3 . 1 1 13 13 ILE C C 13 174.540 174.540 174.878 -0.338 25827 909 1 3 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.702 0.276 25827 910 1 3 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.099 1.388 25827 911 1 3 . 1 1 13 13 ILE H H 13 8.210 8.210 8.813 -0.603 25827 912 1 3 . 1 1 14 14 LEU N N 14 128.287 128.287 130.680 -2.393 25827 913 1 3 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.839 -0.074 25827 914 1 3 . 1 1 14 14 LEU C C 14 177.391 177.391 174.594 2.797 25827 915 1 3 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.472 0.635 25827 916 1 3 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.774 -1.158 25827 917 1 3 . 1 1 14 14 LEU H H 14 9.146 9.146 9.035 0.111 25827 918 1 3 . 1 1 15 15 GLY N N 15 107.835 107.835 111.848 -4.013 25827 919 1 3 . 1 1 15 15 GLY C C 15 175.726 175.726 173.243 2.483 25827 920 1 3 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.494 -0.150 25827 921 1 3 . 1 1 15 15 GLY H H 15 8.515 8.515 7.902 0.613 25827 922 1 3 . 1 1 16 16 MET N N 16 120.244 120.244 118.273 1.971 25827 923 1 3 . 1 1 16 16 MET HA H 16 4.699 4.699 4.492 0.207 25827 924 1 3 . 1 1 16 16 MET C C 16 177.404 177.404 175.738 1.666 25827 925 1 3 . 1 1 16 16 MET CA C 16 57.116 57.116 57.789 -0.673 25827 926 1 3 . 1 1 16 16 MET CB C 16 34.852 34.852 33.401 1.451 25827 927 1 3 . 1 1 16 16 MET H H 16 8.925 8.925 9.006 -0.081 25827 928 1 3 . 1 1 17 17 THR C C 17 174.700 174.700 173.881 0.819 25827 929 1 3 . 1 1 17 17 THR CA C 17 62.736 62.736 61.130 1.606 25827 930 1 3 . 1 1 17 17 THR CB C 17 64.427 64.427 69.448 -5.021 25827 931 1 3 . 1 1 18 18 CYS N N 18 120.513 120.513 125.984 -5.471 25827 932 1 3 . 1 1 18 18 CYS HA H 18 4.423 4.423 3.928 0.495 25827 933 1 3 . 1 1 18 18 CYS C C 18 177.431 177.431 175.985 1.446 25827 934 1 3 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.078 -5.571 25827 935 1 3 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.878 14.386 25827 936 1 3 . 1 1 18 18 CYS H H 18 8.691 8.691 8.848 -0.157 25827 937 1 3 . 1 1 19 19 GLN N N 19 121.231 121.231 119.338 1.893 25827 938 1 3 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.970 0.368 25827 939 1 3 . 1 1 19 19 GLN C C 19 175.832 175.832 177.805 -1.973 25827 940 1 3 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.872 -3.289 25827 941 1 3 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.915 2.764 25827 942 1 3 . 1 1 19 19 GLN H H 19 8.342 8.342 8.586 -0.244 25827 943 1 3 . 1 1 20 20 SER N N 20 116.089 116.089 115.681 0.408 25827 944 1 3 . 1 1 20 20 SER HA H 20 4.381 4.381 4.226 0.155 25827 945 1 3 . 1 1 20 20 SER C C 20 177.004 177.004 176.430 0.574 25827 946 1 3 . 1 1 20 20 SER H H 20 7.953 7.953 7.951 0.002 25827 947 1 3 . 1 1 21 21 CYS N N 21 125.147 125.147 119.395 5.752 25827 948 1 3 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.367 -0.285 25827 949 1 3 . 1 1 21 21 CYS C C 21 177.004 177.004 176.638 0.366 25827 950 1 3 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.371 2.791 25827 951 1 3 . 1 1 21 21 CYS CB C 21 28.854 28.854 26.105 2.749 25827 952 1 3 . 1 1 21 21 CYS H H 21 7.854 7.854 7.133 0.721 25827 953 1 3 . 1 1 22 22 VAL N N 22 118.062 118.062 123.038 -4.976 25827 954 1 3 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.593 0.759 25827 955 1 3 . 1 1 22 22 VAL C C 22 177.178 177.178 178.055 -0.877 25827 956 1 3 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.522 -0.977 25827 957 1 3 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.210 0.520 25827 958 1 3 . 1 1 22 22 VAL H H 22 6.834 6.834 8.483 -1.649 25827 959 1 3 . 1 1 23 23 LYS N N 23 117.823 117.823 119.625 -1.802 25827 960 1 3 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.966 0.116 25827 961 1 3 . 1 1 23 23 LYS C C 23 178.456 178.456 178.826 -0.370 25827 962 1 3 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.131 -0.337 25827 963 1 3 . 1 1 23 23 LYS CB C 23 32.439 32.439 31.744 0.695 25827 964 1 3 . 1 1 23 23 LYS H H 23 7.936 7.936 8.273 -0.337 25827 965 1 3 . 1 1 24 24 SER N N 24 113.895 113.895 114.830 -0.935 25827 966 1 3 . 1 1 24 24 SER HA H 24 4.068 4.068 4.232 -0.164 25827 967 1 3 . 1 1 24 24 SER C C 24 177.364 177.364 176.471 0.893 25827 968 1 3 . 1 1 24 24 SER CA C 24 62.017 62.017 61.877 0.140 25827 969 1 3 . 1 1 24 24 SER CB C 24 62.600 62.600 62.892 -0.292 25827 970 1 3 . 1 1 24 24 SER H H 24 8.062 8.062 7.608 0.454 25827 971 1 3 . 1 1 25 25 ILE N N 25 122.845 122.845 121.887 0.958 25827 972 1 3 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.818 -0.276 25827 973 1 3 . 1 1 25 25 ILE C C 25 177.537 177.537 176.881 0.656 25827 974 1 3 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.246 1.766 25827 975 1 3 . 1 1 25 25 ILE CB C 25 38.791 38.791 38.028 0.763 25827 976 1 3 . 1 1 25 25 ILE H H 25 7.888 7.888 7.808 0.080 25827 977 1 3 . 1 1 26 26 GLU N N 26 118.630 118.630 121.741 -3.111 25827 978 1 3 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.965 -0.337 25827 979 1 3 . 1 1 26 26 GLU C C 26 180.041 180.041 178.330 1.711 25827 980 1 3 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.596 1.582 25827 981 1 3 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.115 0.486 25827 982 1 3 . 1 1 26 26 GLU H H 26 8.519 8.519 8.568 -0.049 25827 983 1 3 . 1 1 27 27 ASP N N 27 119.676 119.676 119.336 0.340 25827 984 1 3 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.355 -0.017 25827 985 1 3 . 1 1 27 27 ASP C C 27 178.070 178.070 178.501 -0.431 25827 986 1 3 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.587 -0.058 25827 987 1 3 . 1 1 27 27 ASP CB C 27 40.423 40.423 41.034 -0.611 25827 988 1 3 . 1 1 27 27 ASP H H 27 8.973 8.973 8.019 0.954 25827 989 1 3 . 1 1 28 28 ARG N N 28 118.092 118.092 119.454 -1.362 25827 990 1 3 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.091 0.090 25827 991 1 3 . 1 1 28 28 ARG C C 28 179.296 179.296 178.724 0.572 25827 992 1 3 . 1 1 28 28 ARG CA C 28 58.595 58.595 59.078 -0.483 25827 993 1 3 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.396 -0.087 25827 994 1 3 . 1 1 28 28 ARG H H 28 7.630 7.630 7.381 0.249 25827 995 1 3 . 1 1 29 29 ILE N N 29 116.597 116.597 118.281 -1.684 25827 996 1 3 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.721 0.226 25827 997 1 3 . 1 1 29 29 ILE C C 29 177.777 177.777 176.163 1.614 25827 998 1 3 . 1 1 29 29 ILE CA C 29 60.685 60.685 63.599 -2.914 25827 999 1 3 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.959 -2.681 25827 1000 1 3 . 1 1 29 29 ILE H H 29 8.427 8.427 8.220 0.207 25827 1001 1 3 . 1 1 30 30 SER N N 30 113.160 113.160 113.288 -0.128 25827 1002 1 3 . 1 1 30 30 SER HA H 30 4.049 4.049 4.234 -0.185 25827 1003 1 3 . 1 1 30 30 SER C C 30 173.941 173.941 175.440 -1.499 25827 1004 1 3 . 1 1 30 30 SER CA C 30 62.110 62.110 61.091 1.019 25827 1005 1 3 . 1 1 30 30 SER CB C 30 62.884 62.884 63.419 -0.535 25827 1006 1 3 . 1 1 30 30 SER H H 30 8.236 8.236 7.900 0.336 25827 1007 1 3 . 1 1 31 31 ASN N N 31 115.520 115.520 118.638 -3.118 25827 1008 1 3 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.617 0.157 25827 1009 1 3 . 1 1 31 31 ASN C C 31 175.046 175.046 174.678 0.368 25827 1010 1 3 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.572 -1.025 25827 1011 1 3 . 1 1 31 31 ASN CB C 31 39.997 39.997 39.290 0.707 25827 1012 1 3 . 1 1 31 31 ASN H H 31 6.919 6.919 7.573 -0.654 25827 1013 1 3 . 1 1 32 32 LEU N N 32 122.666 122.666 120.008 2.658 25827 1014 1 3 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.348 -0.012 25827 1015 1 3 . 1 1 32 32 LEU C C 32 177.071 177.071 176.119 0.952 25827 1016 1 3 . 1 1 32 32 LEU CA C 32 54.839 54.839 55.047 -0.208 25827 1017 1 3 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.373 -0.566 25827 1018 1 3 . 1 1 32 32 LEU H H 32 7.620 7.620 7.203 0.417 25827 1019 1 3 . 1 1 33 33 LYS N N 33 125.955 125.955 123.189 2.766 25827 1020 1 3 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.371 -0.317 25827 1021 1 3 . 1 1 33 33 LYS C C 33 176.698 176.698 177.455 -0.757 25827 1022 1 3 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.200 1.782 25827 1023 1 3 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.705 -0.763 25827 1024 1 3 . 1 1 33 33 LYS H H 33 8.451 8.451 8.445 0.006 25827 1025 1 3 . 1 1 34 34 GLY N N 34 110.541 110.541 107.653 2.888 25827 1026 1 3 . 1 1 34 34 GLY C C 34 173.381 173.381 173.432 -0.051 25827 1027 1 3 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.773 0.771 25827 1028 1 3 . 1 1 34 34 GLY H H 34 8.616 8.616 8.655 -0.039 25827 1029 1 3 . 1 1 35 35 ILE N N 35 119.258 119.258 116.658 2.600 25827 1030 1 3 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.543 -0.271 25827 1031 1 3 . 1 1 35 35 ILE C C 35 176.352 176.352 174.386 1.966 25827 1032 1 3 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.172 -2.564 25827 1033 1 3 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.426 -3.397 25827 1034 1 3 . 1 1 35 35 ILE H H 35 7.580 7.580 7.524 0.056 25827 1035 1 3 . 1 1 36 36 ILE N N 36 130.708 130.708 127.489 3.219 25827 1036 1 3 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.313 -0.232 25827 1037 1 3 . 1 1 36 36 ILE C C 36 176.298 176.298 176.635 -0.337 25827 1038 1 3 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.862 -1.071 25827 1039 1 3 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.208 -1.056 25827 1040 1 3 . 1 1 36 36 ILE H H 36 9.244 9.244 8.406 0.838 25827 1041 1 3 . 1 1 37 37 SER N N 37 111.336 111.336 112.817 -1.481 25827 1042 1 3 . 1 1 37 37 SER HA H 37 4.613 4.613 4.794 -0.181 25827 1043 1 3 . 1 1 37 37 SER C C 37 171.809 171.809 172.147 -0.338 25827 1044 1 3 . 1 1 37 37 SER CA C 37 57.636 57.636 57.867 -0.231 25827 1045 1 3 . 1 1 37 37 SER CB C 37 64.729 64.729 64.949 -0.220 25827 1046 1 3 . 1 1 37 37 SER H H 37 8.002 8.002 8.146 -0.144 25827 1047 1 3 . 1 1 38 38 MET N N 38 123.742 123.742 120.888 2.854 25827 1048 1 3 . 1 1 38 38 MET HA H 38 5.006 5.006 5.393 -0.387 25827 1049 1 3 . 1 1 38 38 MET C C 38 172.755 172.755 174.420 -1.665 25827 1050 1 3 . 1 1 38 38 MET CA C 38 54.719 54.719 54.287 0.432 25827 1051 1 3 . 1 1 38 38 MET CB C 38 35.562 35.562 37.294 -1.732 25827 1052 1 3 . 1 1 38 38 MET H H 38 8.651 8.651 8.187 0.464 25827 1053 1 3 . 1 1 39 39 LYS N N 39 126.343 126.343 123.352 2.991 25827 1054 1 3 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.717 0.237 25827 1055 1 3 . 1 1 39 39 LYS C C 39 175.872 175.872 174.416 1.456 25827 1056 1 3 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.743 -1.836 25827 1057 1 3 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.810 -1.206 25827 1058 1 3 . 1 1 39 39 LYS H H 39 8.173 8.173 8.399 -0.226 25827 1059 1 3 . 1 1 40 40 VAL N N 40 131.217 131.217 126.935 4.282 25827 1060 1 3 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.248 0.019 25827 1061 1 3 . 1 1 40 40 VAL C C 40 174.327 174.327 175.325 -0.998 25827 1062 1 3 . 1 1 40 40 VAL CA C 40 61.899 61.899 62.056 -0.157 25827 1063 1 3 . 1 1 40 40 VAL CB C 40 32.617 32.617 32.877 -0.259 25827 1064 1 3 . 1 1 40 40 VAL H H 40 10.339 10.339 8.594 1.745 25827 1065 1 3 . 1 1 41 41 SER N N 41 121.440 121.440 123.952 -2.512 25827 1066 1 3 . 1 1 41 41 SER HA H 41 4.878 4.878 4.848 0.030 25827 1067 1 3 . 1 1 41 41 SER C C 41 175.179 175.179 174.832 0.347 25827 1068 1 3 . 1 1 41 41 SER CA C 41 55.359 55.359 56.538 -1.179 25827 1069 1 3 . 1 1 41 41 SER CB C 41 63.381 63.381 63.351 0.030 25827 1070 1 3 . 1 1 41 41 SER H H 41 9.122 9.122 8.367 0.755 25827 1071 1 3 . 1 1 42 42 LEU N N 42 131.575 131.575 126.414 5.161 25827 1072 1 3 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.012 0.793 25827 1073 1 3 . 1 1 42 42 LEU C C 42 179.189 179.189 178.257 0.932 25827 1074 1 3 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.641 0.621 25827 1075 1 3 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.213 -0.300 25827 1076 1 3 . 1 1 42 42 LEU H H 42 9.139 9.139 8.572 0.567 25827 1077 1 3 . 1 1 43 43 GLU N N 43 117.524 117.524 117.869 -0.345 25827 1078 1 3 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.083 0.722 25827 1079 1 3 . 1 1 43 43 GLU C C 43 178.456 178.456 177.778 0.678 25827 1080 1 3 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.876 1.050 25827 1081 1 3 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.743 0.574 25827 1082 1 3 . 1 1 43 43 GLU H H 43 9.041 9.041 8.426 0.615 25827 1083 1 3 . 1 1 44 44 GLN N N 44 113.278 113.278 116.987 -3.709 25827 1084 1 3 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.339 -0.003 25827 1085 1 3 . 1 1 44 44 GLN C C 44 176.765 176.765 177.007 -0.242 25827 1086 1 3 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.809 -0.264 25827 1087 1 3 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.458 0.143 25827 1088 1 3 . 1 1 44 44 GLN H H 44 7.651 7.651 8.178 -0.527 25827 1089 1 3 . 1 1 45 45 GLY N N 45 110.453 110.453 108.199 2.254 25827 1090 1 3 . 1 1 45 45 GLY C C 45 174.487 174.487 173.564 0.923 25827 1091 1 3 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.679 1.663 25827 1092 1 3 . 1 1 45 45 GLY H H 45 7.884 7.884 8.309 -0.425 25827 1093 1 3 . 1 1 46 46 SER N N 46 111.130 111.130 115.341 -4.211 25827 1094 1 3 . 1 1 46 46 SER HA H 46 5.412 5.412 5.579 -0.167 25827 1095 1 3 . 1 1 46 46 SER C C 46 171.503 171.503 172.302 -0.799 25827 1096 1 3 . 1 1 46 46 SER CA C 46 56.544 56.544 56.903 -0.359 25827 1097 1 3 . 1 1 46 46 SER CB C 46 66.327 66.327 67.137 -0.810 25827 1098 1 3 . 1 1 46 46 SER H H 46 7.807 7.807 7.466 0.341 25827 1099 1 3 . 1 1 47 47 ALA N N 47 120.663 120.663 123.980 -3.317 25827 1100 1 3 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.355 -0.060 25827 1101 1 3 . 1 1 47 47 ALA C C 47 175.806 175.806 176.305 -0.499 25827 1102 1 3 . 1 1 47 47 ALA CA C 47 50.352 50.352 49.926 0.426 25827 1103 1 3 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.299 2.652 25827 1104 1 3 . 1 1 47 47 ALA H H 47 9.349 9.349 9.064 0.285 25827 1105 1 3 . 1 1 48 48 THR N N 48 117.344 117.344 119.702 -2.358 25827 1106 1 3 . 1 1 48 48 THR HA H 48 4.880 4.880 4.463 0.417 25827 1107 1 3 . 1 1 48 48 THR C C 48 173.847 173.847 173.971 -0.124 25827 1108 1 3 . 1 1 48 48 THR CA C 48 62.163 62.163 62.752 -0.589 25827 1109 1 3 . 1 1 48 48 THR CB C 48 69.698 69.698 69.063 0.635 25827 1110 1 3 . 1 1 48 48 THR H H 48 8.634 8.634 8.729 -0.095 25827 1111 1 3 . 1 1 49 49 VAL N N 49 129.782 129.782 127.866 1.916 25827 1112 1 3 . 1 1 49 49 VAL HA H 49 4.858 4.858 3.854 1.004 25827 1113 1 3 . 1 1 49 49 VAL C C 49 173.208 173.208 173.489 -0.281 25827 1114 1 3 . 1 1 49 49 VAL CA C 49 59.860 59.860 61.799 -1.939 25827 1115 1 3 . 1 1 49 49 VAL CB C 49 34.852 34.852 32.532 2.320 25827 1116 1 3 . 1 1 49 49 VAL H H 49 9.400 9.400 9.110 0.290 25827 1117 1 3 . 1 1 50 50 LYS N N 50 128.107 128.107 127.774 0.333 25827 1118 1 3 . 1 1 50 50 LYS HA H 50 5.924 5.924 4.565 1.359 25827 1119 1 3 . 1 1 50 50 LYS C C 50 176.671 176.671 173.882 2.789 25827 1120 1 3 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.259 -0.207 25827 1121 1 3 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.564 -0.209 25827 1122 1 3 . 1 1 50 50 LYS H H 50 8.997 8.997 7.339 1.658 25827 1123 1 3 . 1 1 51 51 TYR N N 51 124.310 124.310 122.383 1.927 25827 1124 1 3 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.783 0.768 25827 1125 1 3 . 1 1 51 51 TYR C C 51 171.343 171.343 174.170 -2.827 25827 1126 1 3 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.668 -1.176 25827 1127 1 3 . 1 1 51 51 TYR CB C 51 41.452 41.452 42.246 -0.794 25827 1128 1 3 . 1 1 51 51 TYR H H 51 9.478 9.478 7.749 1.729 25827 1129 1 3 . 1 1 52 52 VAL N N 52 122.068 122.068 121.018 1.050 25827 1130 1 3 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.338 0.382 25827 1131 1 3 . 1 1 52 52 VAL C C 52 176.045 176.045 175.585 0.460 25827 1132 1 3 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.288 -0.708 25827 1133 1 3 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.274 1.414 25827 1134 1 3 . 1 1 52 52 VAL H H 52 8.702 8.702 8.463 0.239 25827 1135 1 3 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.795 -0.428 25827 1136 1 3 . 1 1 53 53 PRO C C 53 177.111 177.111 178.242 -1.131 25827 1137 1 3 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.935 -0.594 25827 1138 1 3 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.998 -0.058 25827 1139 1 3 . 1 1 54 54 SER N N 54 109.924 109.924 113.985 -4.061 25827 1140 1 3 . 1 1 54 54 SER HA H 54 4.345 4.345 4.323 0.022 25827 1141 1 3 . 1 1 54 54 SER C C 54 174.580 174.580 175.414 -0.834 25827 1142 1 3 . 1 1 54 54 SER CA C 54 59.726 59.726 61.003 -1.277 25827 1143 1 3 . 1 1 54 54 SER CB C 54 62.635 62.635 62.718 -0.083 25827 1144 1 3 . 1 1 54 54 SER H H 54 7.898 7.898 8.486 -0.588 25827 1145 1 3 . 1 1 55 55 VAL N N 55 121.919 121.919 119.322 2.597 25827 1146 1 3 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.047 0.076 25827 1147 1 3 . 1 1 55 55 VAL C C 55 174.607 174.607 175.770 -1.163 25827 1148 1 3 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.924 -0.203 25827 1149 1 3 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.083 1.485 25827 1150 1 3 . 1 1 55 55 VAL H H 55 8.163 8.163 7.378 0.785 25827 1151 1 3 . 1 1 56 56 VAL N N 56 121.380 121.380 121.409 -0.029 25827 1152 1 3 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.282 0.289 25827 1153 1 3 . 1 1 56 56 VAL C C 56 170.477 170.477 174.386 -3.909 25827 1154 1 3 . 1 1 56 56 VAL CA C 56 59.833 59.833 61.028 -1.195 25827 1155 1 3 . 1 1 56 56 VAL CB C 56 35.420 35.420 33.342 2.078 25827 1156 1 3 . 1 1 56 56 VAL H H 56 8.254 8.254 8.688 -0.434 25827 1157 1 3 . 1 1 57 57 CYS N N 57 121.201 121.201 124.579 -3.378 25827 1158 1 3 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.827 0.277 25827 1159 1 3 . 1 1 57 57 CYS C C 57 176.591 176.591 175.768 0.823 25827 1160 1 3 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.351 -0.726 25827 1161 1 3 . 1 1 57 57 CYS CB C 57 30.878 30.878 29.853 1.025 25827 1162 1 3 . 1 1 57 57 CYS H H 57 7.885 7.885 8.912 -1.027 25827 1163 1 3 . 1 1 58 58 LEU N N 58 125.028 125.028 123.745 1.283 25827 1164 1 3 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.025 -0.397 25827 1165 1 3 . 1 1 58 58 LEU C C 58 179.335 179.335 178.867 0.468 25827 1166 1 3 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.646 -1.241 25827 1167 1 3 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.502 -0.194 25827 1168 1 3 . 1 1 58 58 LEU H H 58 8.555 8.555 8.771 -0.216 25827 1169 1 3 . 1 1 59 59 GLN N N 59 120.812 120.812 116.008 4.804 25827 1170 1 3 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.824 0.145 25827 1171 1 3 . 1 1 59 59 GLN C C 59 178.629 178.629 178.357 0.272 25827 1172 1 3 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.785 0.968 25827 1173 1 3 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.535 0.353 25827 1174 1 3 . 1 1 59 59 GLN H H 59 9.081 9.081 8.655 0.426 25827 1175 1 3 . 1 1 60 60 GLN N N 60 120.513 120.513 118.451 2.062 25827 1176 1 3 . 1 1 60 60 GLN HA H 60 4.161 4.161 3.997 0.164 25827 1177 1 3 . 1 1 60 60 GLN C C 60 179.002 179.002 178.566 0.436 25827 1178 1 3 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.054 0.833 25827 1179 1 3 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.237 0.512 25827 1180 1 3 . 1 1 60 60 GLN H H 60 7.793 7.793 7.649 0.144 25827 1181 1 3 . 1 1 61 61 VAL N N 61 119.886 119.886 120.759 -0.873 25827 1182 1 3 . 1 1 61 61 VAL HA H 61 3.294 3.294 4.037 -0.743 25827 1183 1 3 . 1 1 61 61 VAL C C 61 177.564 177.564 178.339 -0.775 25827 1184 1 3 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.439 0.665 25827 1185 1 3 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.341 -0.108 25827 1186 1 3 . 1 1 61 61 VAL H H 61 7.359 7.359 7.513 -0.154 25827 1187 1 3 . 1 1 62 62 CYS N N 62 116.059 116.059 117.859 -1.800 25827 1188 1 3 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.036 -0.232 25827 1189 1 3 . 1 1 62 62 CYS C C 62 177.630 177.630 176.842 0.788 25827 1190 1 3 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.012 0.655 25827 1191 1 3 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.580 -0.067 25827 1192 1 3 . 1 1 62 62 CYS H H 62 8.034 8.034 7.894 0.140 25827 1193 1 3 . 1 1 63 63 HIS N N 63 121.440 121.440 119.282 2.158 25827 1194 1 3 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.224 0.199 25827 1195 1 3 . 1 1 63 63 HIS C C 63 178.097 178.097 177.832 0.265 25827 1196 1 3 . 1 1 63 63 HIS CA C 63 59.340 59.340 58.668 0.672 25827 1197 1 3 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.677 0.704 25827 1198 1 3 . 1 1 63 63 HIS H H 63 8.430 8.430 7.822 0.608 25827 1199 1 3 . 1 1 64 64 GLN N N 64 118.839 118.839 119.008 -0.169 25827 1200 1 3 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.056 -0.029 25827 1201 1 3 . 1 1 64 64 GLN C C 64 178.536 178.536 178.326 0.210 25827 1202 1 3 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.328 0.013 25827 1203 1 3 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.777 -0.667 25827 1204 1 3 . 1 1 64 64 GLN H H 64 8.102 8.102 8.418 -0.316 25827 1205 1 3 . 1 1 65 65 ILE N N 65 119.228 119.228 119.604 -0.376 25827 1206 1 3 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.107 -0.422 25827 1207 1 3 . 1 1 65 65 ILE C C 65 178.656 178.656 177.561 1.095 25827 1208 1 3 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.251 2.801 25827 1209 1 3 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.254 0.111 25827 1210 1 3 . 1 1 65 65 ILE H H 65 7.858 7.858 7.555 0.303 25827 1211 1 3 . 1 1 66 66 GLY N N 66 109.453 109.453 107.761 1.692 25827 1212 1 3 . 1 1 66 66 GLY C C 66 178.643 178.643 176.524 2.119 25827 1213 1 3 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.014 0.088 25827 1214 1 3 . 1 1 66 66 GLY H H 66 8.379 8.379 8.269 0.110 25827 1215 1 3 . 1 1 67 67 ASP N N 67 123.114 123.114 121.853 1.261 25827 1216 1 3 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.431 0.033 25827 1217 1 3 . 1 1 67 67 ASP C C 67 177.497 177.497 177.415 0.082 25827 1218 1 3 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.317 0.240 25827 1219 1 3 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.344 0.753 25827 1220 1 3 . 1 1 67 67 ASP H H 67 8.091 8.091 8.382 -0.291 25827 1221 1 3 . 1 1 68 68 MET N N 68 115.939 115.939 117.092 -1.153 25827 1222 1 3 . 1 1 68 68 MET HA H 68 4.297 4.297 4.355 -0.058 25827 1223 1 3 . 1 1 68 68 MET C C 68 175.739 175.739 177.063 -1.324 25827 1224 1 3 . 1 1 68 68 MET CA C 68 56.490 56.490 55.940 0.550 25827 1225 1 3 . 1 1 68 68 MET CB C 68 34.355 34.355 33.580 0.775 25827 1226 1 3 . 1 1 68 68 MET H H 68 7.576 7.576 7.621 -0.045 25827 1227 1 3 . 1 1 69 69 GLY N N 69 104.775 104.775 105.381 -0.606 25827 1228 1 3 . 1 1 69 69 GLY C C 69 173.328 173.328 173.915 -0.587 25827 1229 1 3 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.365 0.419 25827 1230 1 3 . 1 1 69 69 GLY H H 69 7.880 7.880 7.646 0.234 25827 1231 1 3 . 1 1 70 70 PHE N N 70 118.809 118.809 120.439 -1.630 25827 1232 1 3 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.719 0.193 25827 1233 1 3 . 1 1 70 70 PHE C C 70 173.768 173.768 175.071 -1.303 25827 1234 1 3 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.119 -0.961 25827 1235 1 3 . 1 1 70 70 PHE CB C 70 40.636 40.636 40.185 0.451 25827 1236 1 3 . 1 1 70 70 PHE H H 70 6.905 6.905 7.420 -0.515 25827 1237 1 3 . 1 1 71 71 GLU N N 71 119.497 119.497 121.211 -1.714 25827 1238 1 3 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.585 -0.004 25827 1239 1 3 . 1 1 71 71 GLU C C 71 174.993 174.993 175.517 -0.524 25827 1240 1 3 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.684 0.527 25827 1241 1 3 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.185 0.190 25827 1242 1 3 . 1 1 71 71 GLU H H 71 8.081 8.081 8.360 -0.279 25827 1243 1 3 . 1 1 72 72 ALA N N 72 129.662 129.662 125.479 4.183 25827 1244 1 3 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.388 0.447 25827 1245 1 3 . 1 1 72 72 ALA C C 72 176.179 176.179 175.998 0.181 25827 1246 1 3 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.981 -0.989 25827 1247 1 3 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.609 0.355 25827 1248 1 3 . 1 1 72 72 ALA H H 72 8.925 8.925 8.277 0.648 25827 1249 1 3 . 1 1 73 73 SER N N 73 114.042 114.042 116.259 -2.217 25827 1250 1 3 . 1 1 73 73 SER HA H 73 4.716 4.716 4.863 -0.147 25827 1251 1 3 . 1 1 73 73 SER C C 73 172.675 172.675 173.313 -0.638 25827 1252 1 3 . 1 1 73 73 SER CA C 73 57.156 57.156 57.108 0.048 25827 1253 1 3 . 1 1 73 73 SER CB C 73 65.581 65.581 65.528 0.053 25827 1254 1 3 . 1 1 73 73 SER H H 73 8.794 8.794 8.564 0.230 25827 1255 1 3 . 1 1 74 74 ILE N N 74 122.487 122.487 125.258 -2.771 25827 1256 1 3 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.373 -0.397 25827 1257 1 3 . 1 1 74 74 ILE C C 74 176.045 176.045 175.520 0.525 25827 1258 1 3 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.532 1.044 25827 1259 1 3 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.539 -0.068 25827 1260 1 3 . 1 1 74 74 ILE H H 74 8.813 8.813 8.690 0.123 25827 1261 1 3 . 1 1 75 75 ALA N N 75 131.516 131.516 131.068 0.448 25827 1262 1 3 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.780 -0.316 25827 1263 1 3 . 1 1 75 75 ALA C C 75 176.045 176.045 175.134 0.911 25827 1264 1 3 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.794 1.435 25827 1265 1 3 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.160 -2.318 25827 1266 1 3 . 1 1 75 75 ALA H H 75 8.400 8.400 8.983 -0.583 25827 1267 1 4 . 1 1 2 2 GLY N N 2 109.659 109.659 108.656 1.003 25827 1268 1 4 . 1 1 2 2 GLY C C 2 174.061 174.061 173.224 0.837 25827 1269 1 4 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.879 0.772 25827 1270 1 4 . 1 1 2 2 GLY H H 2 8.539 8.539 8.266 0.273 25827 1271 1 4 . 1 1 3 3 HIS N N 3 120.603 120.603 119.499 1.104 25827 1272 1 4 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.600 -0.191 25827 1273 1 4 . 1 1 3 3 HIS C C 3 176.072 176.072 176.340 -0.268 25827 1274 1 4 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.380 0.631 25827 1275 1 4 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.854 2.509 25827 1276 1 4 . 1 1 3 3 HIS H H 3 8.030 8.030 8.330 -0.300 25827 1277 1 4 . 1 1 4 4 MET N N 4 124.310 124.310 122.366 1.944 25827 1278 1 4 . 1 1 4 4 MET C C 4 176.179 176.179 177.420 -1.241 25827 1279 1 4 . 1 1 4 4 MET CA C 4 61.071 61.071 58.427 2.644 25827 1280 1 4 . 1 1 4 4 MET CB C 4 38.720 38.720 32.502 6.218 25827 1281 1 4 . 1 1 4 4 MET H H 4 8.410 8.410 8.617 -0.207 25827 1282 1 4 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.157 0.139 25827 1283 1 4 . 1 1 5 5 GLN C C 5 174.687 174.687 175.634 -0.947 25827 1284 1 4 . 1 1 5 5 GLN CA C 5 56.218 56.218 57.663 -1.445 25827 1285 1 4 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.151 0.410 25827 1286 1 4 . 1 1 6 6 VAL N N 6 120.095 120.095 116.550 3.545 25827 1287 1 4 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.279 0.068 25827 1288 1 4 . 1 1 6 6 VAL C C 6 174.807 174.807 174.258 0.549 25827 1289 1 4 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.979 0.439 25827 1290 1 4 . 1 1 6 6 VAL CB C 6 34.320 34.320 31.535 2.785 25827 1291 1 4 . 1 1 6 6 VAL H H 6 7.942 7.942 7.786 0.156 25827 1292 1 4 . 1 1 7 7 ALA N N 7 130.230 130.230 130.163 0.067 25827 1293 1 4 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.855 -0.220 25827 1294 1 4 . 1 1 7 7 ALA C C 7 174.913 174.913 175.948 -1.035 25827 1295 1 4 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.219 0.465 25827 1296 1 4 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.981 -0.344 25827 1297 1 4 . 1 1 7 7 ALA H H 7 8.952 8.952 8.424 0.528 25827 1298 1 4 . 1 1 8 8 THR N N 8 114.219 114.219 113.325 0.894 25827 1299 1 4 . 1 1 8 8 THR HA H 8 5.594 5.594 5.364 0.230 25827 1300 1 4 . 1 1 8 8 THR C C 8 174.846 174.846 174.359 0.487 25827 1301 1 4 . 1 1 8 8 THR CA C 8 61.524 61.524 60.045 1.479 25827 1302 1 4 . 1 1 8 8 THR CB C 8 71.228 71.228 70.479 0.749 25827 1303 1 4 . 1 1 8 8 THR H H 8 8.211 8.211 8.331 -0.120 25827 1304 1 4 . 1 1 9 9 SER N N 9 121.231 121.231 120.247 0.984 25827 1305 1 4 . 1 1 9 9 SER HA H 9 5.049 5.049 4.993 0.056 25827 1306 1 4 . 1 1 9 9 SER C C 9 172.023 172.023 172.850 -0.827 25827 1307 1 4 . 1 1 9 9 SER CA C 9 57.822 57.822 57.867 -0.045 25827 1308 1 4 . 1 1 9 9 SER CB C 9 67.178 67.178 65.562 1.616 25827 1309 1 4 . 1 1 9 9 SER H H 9 9.329 9.329 8.986 0.343 25827 1310 1 4 . 1 1 10 10 THR N N 10 119.646 119.646 118.566 1.080 25827 1311 1 4 . 1 1 10 10 THR HA H 10 5.423 5.423 5.606 -0.183 25827 1312 1 4 . 1 1 10 10 THR C C 10 173.754 173.754 174.184 -0.430 25827 1313 1 4 . 1 1 10 10 THR CA C 10 61.591 61.591 59.839 1.752 25827 1314 1 4 . 1 1 10 10 THR CB C 10 70.230 70.230 70.342 -0.112 25827 1315 1 4 . 1 1 10 10 THR H H 10 8.790 8.790 9.201 -0.411 25827 1316 1 4 . 1 1 11 11 VAL N N 11 122.726 122.726 121.105 1.621 25827 1317 1 4 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.059 -0.371 25827 1318 1 4 . 1 1 11 11 VAL C C 11 174.940 174.940 175.418 -0.478 25827 1319 1 4 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.702 -0.215 25827 1320 1 4 . 1 1 11 11 VAL CB C 11 35.207 35.207 33.747 1.460 25827 1321 1 4 . 1 1 11 11 VAL H H 11 8.973 8.973 8.971 0.002 25827 1322 1 4 . 1 1 12 12 ARG N N 12 127.240 127.240 126.465 0.775 25827 1323 1 4 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.748 -0.197 25827 1324 1 4 . 1 1 12 12 ARG C C 12 175.632 175.632 175.142 0.490 25827 1325 1 4 . 1 1 12 12 ARG CA C 12 55.731 55.731 55.478 0.253 25827 1326 1 4 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.158 -0.138 25827 1327 1 4 . 1 1 12 12 ARG H H 12 9.274 9.274 9.147 0.127 25827 1328 1 4 . 1 1 13 13 ILE N N 13 123.234 123.234 123.788 -0.554 25827 1329 1 4 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.665 0.076 25827 1330 1 4 . 1 1 13 13 ILE C C 13 174.540 174.540 175.081 -0.541 25827 1331 1 4 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.418 0.560 25827 1332 1 4 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.418 1.069 25827 1333 1 4 . 1 1 13 13 ILE H H 13 8.210 8.210 8.604 -0.394 25827 1334 1 4 . 1 1 14 14 LEU N N 14 128.287 128.287 129.869 -1.582 25827 1335 1 4 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.839 -0.074 25827 1336 1 4 . 1 1 14 14 LEU C C 14 177.391 177.391 174.743 2.648 25827 1337 1 4 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.694 0.413 25827 1338 1 4 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.312 -0.696 25827 1339 1 4 . 1 1 14 14 LEU H H 14 9.146 9.146 9.190 -0.044 25827 1340 1 4 . 1 1 15 15 GLY N N 15 107.835 107.835 111.152 -3.317 25827 1341 1 4 . 1 1 15 15 GLY C C 15 175.726 175.726 173.818 1.908 25827 1342 1 4 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.148 0.196 25827 1343 1 4 . 1 1 15 15 GLY H H 15 8.515 8.515 8.039 0.477 25827 1344 1 4 . 1 1 16 16 MET N N 16 120.244 120.244 117.520 2.724 25827 1345 1 4 . 1 1 16 16 MET HA H 16 4.699 4.699 4.383 0.316 25827 1346 1 4 . 1 1 16 16 MET C C 16 177.404 177.404 176.042 1.362 25827 1347 1 4 . 1 1 16 16 MET CA C 16 57.116 57.116 57.279 -0.163 25827 1348 1 4 . 1 1 16 16 MET CB C 16 34.852 34.852 33.172 1.680 25827 1349 1 4 . 1 1 16 16 MET H H 16 8.925 8.925 8.608 0.317 25827 1350 1 4 . 1 1 17 17 THR C C 17 174.700 174.700 174.314 0.386 25827 1351 1 4 . 1 1 17 17 THR CA C 17 62.736 62.736 60.852 1.884 25827 1352 1 4 . 1 1 17 17 THR CB C 17 64.427 64.427 70.415 -5.988 25827 1353 1 4 . 1 1 18 18 CYS N N 18 120.513 120.513 124.770 -4.257 25827 1354 1 4 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.114 0.309 25827 1355 1 4 . 1 1 18 18 CYS C C 18 177.431 177.431 176.567 0.864 25827 1356 1 4 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.428 -5.921 25827 1357 1 4 . 1 1 18 18 CYS CB C 18 42.264 42.264 28.044 14.220 25827 1358 1 4 . 1 1 18 18 CYS H H 18 8.691 8.691 9.002 -0.311 25827 1359 1 4 . 1 1 19 19 GLN N N 19 121.231 121.231 119.033 2.198 25827 1360 1 4 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.984 0.354 25827 1361 1 4 . 1 1 19 19 GLN C C 19 175.832 175.832 178.367 -2.535 25827 1362 1 4 . 1 1 19 19 GLN CA C 19 56.583 56.583 58.865 -2.282 25827 1363 1 4 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.395 3.283 25827 1364 1 4 . 1 1 19 19 GLN H H 19 8.342 8.342 8.814 -0.472 25827 1365 1 4 . 1 1 20 20 SER N N 20 116.089 116.089 115.512 0.577 25827 1366 1 4 . 1 1 20 20 SER HA H 20 4.381 4.381 4.236 0.145 25827 1367 1 4 . 1 1 20 20 SER C C 20 177.004 177.004 176.434 0.570 25827 1368 1 4 . 1 1 20 20 SER H H 20 7.953 7.953 8.399 -0.446 25827 1369 1 4 . 1 1 21 21 CYS N N 21 125.147 125.147 119.575 5.572 25827 1370 1 4 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.183 -0.101 25827 1371 1 4 . 1 1 21 21 CYS C C 21 177.004 177.004 176.755 0.249 25827 1372 1 4 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.862 2.300 25827 1373 1 4 . 1 1 21 21 CYS CB C 21 28.854 28.854 26.023 2.830 25827 1374 1 4 . 1 1 21 21 CYS H H 21 7.854 7.854 7.466 0.388 25827 1375 1 4 . 1 1 22 22 VAL N N 22 118.062 118.062 123.229 -5.167 25827 1376 1 4 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.522 0.830 25827 1377 1 4 . 1 1 22 22 VAL C C 22 177.178 177.178 177.944 -0.766 25827 1378 1 4 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.250 -0.705 25827 1379 1 4 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.385 0.345 25827 1380 1 4 . 1 1 22 22 VAL H H 22 6.834 6.834 8.320 -1.486 25827 1381 1 4 . 1 1 23 23 LYS N N 23 117.823 117.823 119.382 -1.559 25827 1382 1 4 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.867 0.215 25827 1383 1 4 . 1 1 23 23 LYS C C 23 178.456 178.456 178.806 -0.350 25827 1384 1 4 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.223 -1.429 25827 1385 1 4 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.036 0.403 25827 1386 1 4 . 1 1 23 23 LYS H H 23 7.936 7.936 8.431 -0.495 25827 1387 1 4 . 1 1 24 24 SER N N 24 113.895 113.895 115.268 -1.373 25827 1388 1 4 . 1 1 24 24 SER HA H 24 4.068 4.068 4.225 -0.157 25827 1389 1 4 . 1 1 24 24 SER C C 24 177.364 177.364 176.643 0.721 25827 1390 1 4 . 1 1 24 24 SER CA C 24 62.017 62.017 61.405 0.612 25827 1391 1 4 . 1 1 24 24 SER CB C 24 62.600 62.600 63.038 -0.438 25827 1392 1 4 . 1 1 24 24 SER H H 24 8.062 8.062 7.778 0.284 25827 1393 1 4 . 1 1 25 25 ILE N N 25 122.845 122.845 122.020 0.825 25827 1394 1 4 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.859 -0.317 25827 1395 1 4 . 1 1 25 25 ILE C C 25 177.537 177.537 176.507 1.030 25827 1396 1 4 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.374 2.638 25827 1397 1 4 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.866 0.925 25827 1398 1 4 . 1 1 25 25 ILE H H 25 7.888 7.888 7.783 0.105 25827 1399 1 4 . 1 1 26 26 GLU N N 26 118.630 118.630 122.480 -3.850 25827 1400 1 4 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.929 -0.301 25827 1401 1 4 . 1 1 26 26 GLU C C 26 180.041 180.041 178.918 1.123 25827 1402 1 4 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.829 1.349 25827 1403 1 4 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.366 0.235 25827 1404 1 4 . 1 1 26 26 GLU H H 26 8.519 8.519 8.338 0.181 25827 1405 1 4 . 1 1 27 27 ASP N N 27 119.676 119.676 119.480 0.196 25827 1406 1 4 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.385 -0.047 25827 1407 1 4 . 1 1 27 27 ASP C C 27 178.070 178.070 178.635 -0.565 25827 1408 1 4 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.256 0.273 25827 1409 1 4 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.900 -0.477 25827 1410 1 4 . 1 1 27 27 ASP H H 27 8.973 8.973 7.974 0.999 25827 1411 1 4 . 1 1 28 28 ARG N N 28 118.092 118.092 118.858 -0.766 25827 1412 1 4 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.134 0.047 25827 1413 1 4 . 1 1 28 28 ARG C C 28 179.296 179.296 179.132 0.164 25827 1414 1 4 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.108 0.487 25827 1415 1 4 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.778 0.532 25827 1416 1 4 . 1 1 28 28 ARG H H 28 7.630 7.630 7.491 0.139 25827 1417 1 4 . 1 1 29 29 ILE N N 29 116.597 116.597 119.401 -2.804 25827 1418 1 4 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.874 0.073 25827 1419 1 4 . 1 1 29 29 ILE C C 29 177.777 177.777 176.254 1.523 25827 1420 1 4 . 1 1 29 29 ILE CA C 29 60.685 60.685 62.793 -2.108 25827 1421 1 4 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.969 -2.691 25827 1422 1 4 . 1 1 29 29 ILE H H 29 8.427 8.427 8.442 -0.015 25827 1423 1 4 . 1 1 30 30 SER N N 30 113.160 113.160 114.358 -1.198 25827 1424 1 4 . 1 1 30 30 SER HA H 30 4.049 4.049 4.140 -0.091 25827 1425 1 4 . 1 1 30 30 SER C C 30 173.941 173.941 176.194 -2.253 25827 1426 1 4 . 1 1 30 30 SER CA C 30 62.110 62.110 61.330 0.780 25827 1427 1 4 . 1 1 30 30 SER CB C 30 62.884 62.884 63.325 -0.441 25827 1428 1 4 . 1 1 30 30 SER H H 30 8.236 8.236 8.207 0.029 25827 1429 1 4 . 1 1 31 31 ASN N N 31 115.520 115.520 119.026 -3.506 25827 1430 1 4 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.600 0.174 25827 1431 1 4 . 1 1 31 31 ASN C C 31 175.046 175.046 175.754 -0.708 25827 1432 1 4 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.750 -1.203 25827 1433 1 4 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.839 1.158 25827 1434 1 4 . 1 1 31 31 ASN H H 31 6.919 6.919 7.713 -0.794 25827 1435 1 4 . 1 1 32 32 LEU N N 32 122.666 122.666 122.092 0.574 25827 1436 1 4 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.330 0.006 25827 1437 1 4 . 1 1 32 32 LEU C C 32 177.071 177.071 176.404 0.667 25827 1438 1 4 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.788 0.051 25827 1439 1 4 . 1 1 32 32 LEU CB C 32 41.807 41.807 41.576 0.231 25827 1440 1 4 . 1 1 32 32 LEU H H 32 7.620 7.620 7.363 0.257 25827 1441 1 4 . 1 1 33 33 LYS N N 33 125.955 125.955 125.122 0.833 25827 1442 1 4 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.347 -0.293 25827 1443 1 4 . 1 1 33 33 LYS C C 33 176.698 176.698 177.431 -0.733 25827 1444 1 4 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.208 1.774 25827 1445 1 4 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.870 -0.928 25827 1446 1 4 . 1 1 33 33 LYS H H 33 8.451 8.451 8.580 -0.129 25827 1447 1 4 . 1 1 34 34 GLY N N 34 110.541 110.541 108.260 2.281 25827 1448 1 4 . 1 1 34 34 GLY C C 34 173.381 173.381 173.061 0.320 25827 1449 1 4 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.788 0.756 25827 1450 1 4 . 1 1 34 34 GLY H H 34 8.616 8.616 8.697 -0.081 25827 1451 1 4 . 1 1 35 35 ILE N N 35 119.258 119.258 120.415 -1.157 25827 1452 1 4 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.650 -0.378 25827 1453 1 4 . 1 1 35 35 ILE C C 35 176.352 176.352 175.157 1.195 25827 1454 1 4 . 1 1 35 35 ILE CA C 35 58.608 58.608 59.651 -1.043 25827 1455 1 4 . 1 1 35 35 ILE CB C 35 35.029 35.029 39.420 -4.391 25827 1456 1 4 . 1 1 35 35 ILE H H 35 7.580 7.580 7.624 -0.044 25827 1457 1 4 . 1 1 36 36 ILE N N 36 130.708 130.708 130.032 0.676 25827 1458 1 4 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.042 0.039 25827 1459 1 4 . 1 1 36 36 ILE C C 36 176.298 176.298 176.577 -0.279 25827 1460 1 4 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.649 -0.858 25827 1461 1 4 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.051 0.101 25827 1462 1 4 . 1 1 36 36 ILE H H 36 9.244 9.244 8.827 0.417 25827 1463 1 4 . 1 1 37 37 SER N N 37 111.336 111.336 111.174 0.162 25827 1464 1 4 . 1 1 37 37 SER HA H 37 4.613 4.613 4.642 -0.029 25827 1465 1 4 . 1 1 37 37 SER C C 37 171.809 171.809 172.146 -0.337 25827 1466 1 4 . 1 1 37 37 SER CA C 37 57.636 57.636 58.083 -0.447 25827 1467 1 4 . 1 1 37 37 SER CB C 37 64.729 64.729 64.840 -0.111 25827 1468 1 4 . 1 1 37 37 SER H H 37 8.002 8.002 7.846 0.156 25827 1469 1 4 . 1 1 38 38 MET N N 38 123.742 123.742 124.665 -0.923 25827 1470 1 4 . 1 1 38 38 MET HA H 38 5.006 5.006 4.878 0.129 25827 1471 1 4 . 1 1 38 38 MET C C 38 172.755 172.755 174.542 -1.787 25827 1472 1 4 . 1 1 38 38 MET CA C 38 54.719 54.719 55.112 -0.393 25827 1473 1 4 . 1 1 38 38 MET CB C 38 35.562 35.562 34.725 0.837 25827 1474 1 4 . 1 1 38 38 MET H H 38 8.651 8.651 8.548 0.103 25827 1475 1 4 . 1 1 39 39 LYS N N 39 126.343 126.343 127.560 -1.217 25827 1476 1 4 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.703 0.251 25827 1477 1 4 . 1 1 39 39 LYS C C 39 175.872 175.872 174.361 1.511 25827 1478 1 4 . 1 1 39 39 LYS CA C 39 53.907 53.907 54.670 -0.763 25827 1479 1 4 . 1 1 39 39 LYS CB C 39 34.604 34.604 37.196 -2.592 25827 1480 1 4 . 1 1 39 39 LYS H H 39 8.173 8.173 9.102 -0.929 25827 1481 1 4 . 1 1 40 40 VAL N N 40 131.217 131.217 121.516 9.701 25827 1482 1 4 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.309 -0.042 25827 1483 1 4 . 1 1 40 40 VAL C C 40 174.327 174.327 175.024 -0.697 25827 1484 1 4 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.287 0.612 25827 1485 1 4 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.895 -1.278 25827 1486 1 4 . 1 1 40 40 VAL H H 40 10.339 10.339 8.364 1.975 25827 1487 1 4 . 1 1 41 41 SER N N 41 121.440 121.440 122.264 -0.824 25827 1488 1 4 . 1 1 41 41 SER HA H 41 4.878 4.878 4.752 0.126 25827 1489 1 4 . 1 1 41 41 SER C C 41 175.179 175.179 174.387 0.792 25827 1490 1 4 . 1 1 41 41 SER CA C 41 55.359 55.359 56.335 -0.976 25827 1491 1 4 . 1 1 41 41 SER CB C 41 63.381 63.381 63.620 -0.239 25827 1492 1 4 . 1 1 41 41 SER H H 41 9.122 9.122 8.700 0.422 25827 1493 1 4 . 1 1 42 42 LEU N N 42 131.575 131.575 130.484 1.091 25827 1494 1 4 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.163 0.642 25827 1495 1 4 . 1 1 42 42 LEU C C 42 179.189 179.189 178.221 0.968 25827 1496 1 4 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.214 1.048 25827 1497 1 4 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.105 -0.192 25827 1498 1 4 . 1 1 42 42 LEU H H 42 9.139 9.139 8.899 0.240 25827 1499 1 4 . 1 1 43 43 GLU N N 43 117.524 117.524 117.735 -0.211 25827 1500 1 4 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.016 0.789 25827 1501 1 4 . 1 1 43 43 GLU C C 43 178.456 178.456 178.346 0.110 25827 1502 1 4 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.701 1.225 25827 1503 1 4 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.899 0.418 25827 1504 1 4 . 1 1 43 43 GLU H H 43 9.041 9.041 8.520 0.521 25827 1505 1 4 . 1 1 44 44 GLN N N 44 113.278 113.278 117.624 -4.346 25827 1506 1 4 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.214 0.122 25827 1507 1 4 . 1 1 44 44 GLN C C 44 176.765 176.765 177.168 -0.403 25827 1508 1 4 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.798 -0.253 25827 1509 1 4 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.465 0.136 25827 1510 1 4 . 1 1 44 44 GLN H H 44 7.651 7.651 7.694 -0.043 25827 1511 1 4 . 1 1 45 45 GLY N N 45 110.453 110.453 108.320 2.133 25827 1512 1 4 . 1 1 45 45 GLY C C 45 174.487 174.487 173.715 0.772 25827 1513 1 4 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.639 1.703 25827 1514 1 4 . 1 1 45 45 GLY H H 45 7.884 7.884 8.118 -0.234 25827 1515 1 4 . 1 1 46 46 SER N N 46 111.130 111.130 113.318 -2.188 25827 1516 1 4 . 1 1 46 46 SER HA H 46 5.412 5.412 5.386 0.026 25827 1517 1 4 . 1 1 46 46 SER C C 46 171.503 171.503 172.167 -0.664 25827 1518 1 4 . 1 1 46 46 SER CA C 46 56.544 56.544 56.511 0.033 25827 1519 1 4 . 1 1 46 46 SER CB C 46 66.327 66.327 66.593 -0.265 25827 1520 1 4 . 1 1 46 46 SER H H 46 7.807 7.807 7.775 0.032 25827 1521 1 4 . 1 1 47 47 ALA N N 47 120.663 120.663 122.106 -1.443 25827 1522 1 4 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.937 0.358 25827 1523 1 4 . 1 1 47 47 ALA C C 47 175.806 175.806 175.919 -0.113 25827 1524 1 4 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.695 -0.343 25827 1525 1 4 . 1 1 47 47 ALA CB C 47 24.951 24.951 21.755 3.196 25827 1526 1 4 . 1 1 47 47 ALA H H 47 9.349 9.349 8.895 0.454 25827 1527 1 4 . 1 1 48 48 THR N N 48 117.344 117.344 121.344 -4.000 25827 1528 1 4 . 1 1 48 48 THR HA H 48 4.880 4.880 5.098 -0.218 25827 1529 1 4 . 1 1 48 48 THR C C 48 173.847 173.847 173.978 -0.131 25827 1530 1 4 . 1 1 48 48 THR CA C 48 62.163 62.163 62.413 -0.250 25827 1531 1 4 . 1 1 48 48 THR CB C 48 69.698 69.698 69.290 0.408 25827 1532 1 4 . 1 1 48 48 THR H H 48 8.634 8.634 8.724 -0.090 25827 1533 1 4 . 1 1 49 49 VAL N N 49 129.782 129.782 122.714 7.068 25827 1534 1 4 . 1 1 49 49 VAL HA H 49 4.858 4.858 5.213 -0.355 25827 1535 1 4 . 1 1 49 49 VAL C C 49 173.208 173.208 174.163 -0.955 25827 1536 1 4 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.532 0.328 25827 1537 1 4 . 1 1 49 49 VAL CB C 49 34.852 34.852 35.459 -0.607 25827 1538 1 4 . 1 1 49 49 VAL H H 49 9.400 9.400 9.263 0.137 25827 1539 1 4 . 1 1 50 50 LYS N N 50 128.107 128.107 123.795 4.312 25827 1540 1 4 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.467 0.457 25827 1541 1 4 . 1 1 50 50 LYS C C 50 176.671 176.671 175.784 0.887 25827 1542 1 4 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.020 0.032 25827 1543 1 4 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.488 -0.133 25827 1544 1 4 . 1 1 50 50 LYS H H 50 8.997 8.997 8.727 0.270 25827 1545 1 4 . 1 1 51 51 TYR N N 51 124.310 124.310 119.728 4.582 25827 1546 1 4 . 1 1 51 51 TYR HA H 51 5.551 5.551 5.190 0.361 25827 1547 1 4 . 1 1 51 51 TYR C C 51 171.343 171.343 172.978 -1.635 25827 1548 1 4 . 1 1 51 51 TYR CA C 51 55.492 55.492 55.979 -0.487 25827 1549 1 4 . 1 1 51 51 TYR CB C 51 41.452 41.452 41.496 -0.044 25827 1550 1 4 . 1 1 51 51 TYR H H 51 9.478 9.478 8.914 0.564 25827 1551 1 4 . 1 1 52 52 VAL N N 52 122.068 122.068 120.572 1.496 25827 1552 1 4 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.671 0.049 25827 1553 1 4 . 1 1 52 52 VAL C C 52 176.045 176.045 174.853 1.192 25827 1554 1 4 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.092 0.488 25827 1555 1 4 . 1 1 52 52 VAL CB C 52 32.688 32.688 32.198 0.490 25827 1556 1 4 . 1 1 52 52 VAL H H 52 8.702 8.702 8.955 -0.253 25827 1557 1 4 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.773 -0.406 25827 1558 1 4 . 1 1 53 53 PRO C C 53 177.111 177.111 177.856 -0.745 25827 1559 1 4 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.351 -1.010 25827 1560 1 4 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.038 -0.098 25827 1561 1 4 . 1 1 54 54 SER N N 54 109.924 109.924 112.895 -2.971 25827 1562 1 4 . 1 1 54 54 SER HA H 54 4.345 4.345 4.254 0.091 25827 1563 1 4 . 1 1 54 54 SER C C 54 174.580 174.580 175.595 -1.015 25827 1564 1 4 . 1 1 54 54 SER CA C 54 59.726 59.726 61.318 -1.591 25827 1565 1 4 . 1 1 54 54 SER CB C 54 62.635 62.635 63.306 -0.672 25827 1566 1 4 . 1 1 54 54 SER H H 54 7.898 7.898 8.548 -0.650 25827 1567 1 4 . 1 1 55 55 VAL N N 55 121.919 121.919 119.173 2.746 25827 1568 1 4 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.049 0.074 25827 1569 1 4 . 1 1 55 55 VAL C C 55 174.607 174.607 176.033 -1.426 25827 1570 1 4 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.861 -0.140 25827 1571 1 4 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.214 1.355 25827 1572 1 4 . 1 1 55 55 VAL H H 55 8.163 8.163 7.625 0.538 25827 1573 1 4 . 1 1 56 56 VAL N N 56 121.380 121.380 112.493 8.887 25827 1574 1 4 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.928 -0.357 25827 1575 1 4 . 1 1 56 56 VAL C C 56 170.477 170.477 174.113 -3.636 25827 1576 1 4 . 1 1 56 56 VAL CA C 56 59.833 59.833 59.628 0.205 25827 1577 1 4 . 1 1 56 56 VAL CB C 56 35.420 35.420 35.103 0.317 25827 1578 1 4 . 1 1 56 56 VAL H H 56 8.254 8.254 8.102 0.152 25827 1579 1 4 . 1 1 57 57 CYS N N 57 121.201 121.201 118.919 2.282 25827 1580 1 4 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.947 0.157 25827 1581 1 4 . 1 1 57 57 CYS C C 57 176.591 176.591 175.403 1.188 25827 1582 1 4 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.201 -0.576 25827 1583 1 4 . 1 1 57 57 CYS CB C 57 30.878 30.878 31.187 -0.309 25827 1584 1 4 . 1 1 57 57 CYS H H 57 7.885 7.885 8.150 -0.265 25827 1585 1 4 . 1 1 58 58 LEU N N 58 125.028 125.028 123.468 1.560 25827 1586 1 4 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.901 -0.273 25827 1587 1 4 . 1 1 58 58 LEU C C 58 179.335 179.335 178.520 0.815 25827 1588 1 4 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.325 -0.921 25827 1589 1 4 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.738 -0.430 25827 1590 1 4 . 1 1 58 58 LEU H H 58 8.555 8.555 8.730 -0.175 25827 1591 1 4 . 1 1 59 59 GLN N N 59 120.812 120.812 117.541 3.271 25827 1592 1 4 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.937 0.032 25827 1593 1 4 . 1 1 59 59 GLN C C 59 178.629 178.629 178.247 0.382 25827 1594 1 4 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.713 0.040 25827 1595 1 4 . 1 1 59 59 GLN CB C 59 27.888 27.888 28.128 -0.240 25827 1596 1 4 . 1 1 59 59 GLN H H 59 9.081 9.081 8.671 0.410 25827 1597 1 4 . 1 1 60 60 GLN N N 60 120.513 120.513 119.754 0.759 25827 1598 1 4 . 1 1 60 60 GLN HA H 60 4.161 4.161 3.995 0.166 25827 1599 1 4 . 1 1 60 60 GLN C C 60 179.002 179.002 178.402 0.600 25827 1600 1 4 . 1 1 60 60 GLN CA C 60 58.887 58.887 59.078 -0.191 25827 1601 1 4 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.651 0.099 25827 1602 1 4 . 1 1 60 60 GLN H H 60 7.793 7.793 7.556 0.237 25827 1603 1 4 . 1 1 61 61 VAL N N 61 119.886 119.886 119.642 0.244 25827 1604 1 4 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.685 -0.391 25827 1605 1 4 . 1 1 61 61 VAL C C 61 177.564 177.564 178.113 -0.549 25827 1606 1 4 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.262 0.842 25827 1607 1 4 . 1 1 61 61 VAL CB C 61 31.233 31.233 30.955 0.278 25827 1608 1 4 . 1 1 61 61 VAL H H 61 7.359 7.359 7.763 -0.404 25827 1609 1 4 . 1 1 62 62 CYS N N 62 116.059 116.059 118.430 -2.371 25827 1610 1 4 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.006 -0.202 25827 1611 1 4 . 1 1 62 62 CYS C C 62 177.630 177.630 176.526 1.104 25827 1612 1 4 . 1 1 62 62 CYS CA C 62 64.667 64.667 63.012 1.655 25827 1613 1 4 . 1 1 62 62 CYS CB C 62 26.513 26.513 27.370 -0.857 25827 1614 1 4 . 1 1 62 62 CYS H H 62 8.034 8.034 8.639 -0.605 25827 1615 1 4 . 1 1 63 63 HIS N N 63 121.440 121.440 119.621 1.819 25827 1616 1 4 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.170 0.253 25827 1617 1 4 . 1 1 63 63 HIS C C 63 178.097 178.097 177.522 0.575 25827 1618 1 4 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.604 -1.264 25827 1619 1 4 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.893 0.488 25827 1620 1 4 . 1 1 63 63 HIS H H 63 8.430 8.430 8.318 0.112 25827 1621 1 4 . 1 1 64 64 GLN N N 64 118.839 118.839 117.798 1.041 25827 1622 1 4 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.003 0.024 25827 1623 1 4 . 1 1 64 64 GLN C C 64 178.536 178.536 178.689 -0.153 25827 1624 1 4 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.688 0.652 25827 1625 1 4 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.368 -0.258 25827 1626 1 4 . 1 1 64 64 GLN H H 64 8.102 8.102 7.811 0.291 25827 1627 1 4 . 1 1 65 65 ILE N N 65 119.228 119.228 119.246 -0.018 25827 1628 1 4 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.045 -0.360 25827 1629 1 4 . 1 1 65 65 ILE C C 65 178.656 178.656 177.435 1.221 25827 1630 1 4 . 1 1 65 65 ILE CA C 65 66.052 66.052 62.962 3.090 25827 1631 1 4 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.069 0.296 25827 1632 1 4 . 1 1 65 65 ILE H H 65 7.858 7.858 7.442 0.416 25827 1633 1 4 . 1 1 66 66 GLY N N 66 109.453 109.453 108.446 1.007 25827 1634 1 4 . 1 1 66 66 GLY C C 66 178.643 178.643 175.355 3.288 25827 1635 1 4 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.311 -0.209 25827 1636 1 4 . 1 1 66 66 GLY H H 66 8.379 8.379 8.479 -0.100 25827 1637 1 4 . 1 1 67 67 ASP N N 67 123.114 123.114 120.404 2.710 25827 1638 1 4 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.292 0.172 25827 1639 1 4 . 1 1 67 67 ASP C C 67 177.497 177.497 177.654 -0.157 25827 1640 1 4 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.169 0.389 25827 1641 1 4 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.755 0.342 25827 1642 1 4 . 1 1 67 67 ASP H H 67 8.091 8.091 7.898 0.193 25827 1643 1 4 . 1 1 68 68 MET N N 68 115.939 115.939 117.240 -1.301 25827 1644 1 4 . 1 1 68 68 MET HA H 68 4.297 4.297 4.306 -0.009 25827 1645 1 4 . 1 1 68 68 MET C C 68 175.739 175.739 176.748 -1.009 25827 1646 1 4 . 1 1 68 68 MET CA C 68 56.490 56.490 56.040 0.450 25827 1647 1 4 . 1 1 68 68 MET CB C 68 34.355 34.355 33.479 0.876 25827 1648 1 4 . 1 1 68 68 MET H H 68 7.576 7.576 7.572 0.004 25827 1649 1 4 . 1 1 69 69 GLY N N 69 104.775 104.775 104.384 0.391 25827 1650 1 4 . 1 1 69 69 GLY C C 69 173.328 173.328 173.772 -0.444 25827 1651 1 4 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.234 0.551 25827 1652 1 4 . 1 1 69 69 GLY H H 69 7.880 7.880 7.282 0.598 25827 1653 1 4 . 1 1 70 70 PHE N N 70 118.809 118.809 120.082 -1.273 25827 1654 1 4 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.730 0.182 25827 1655 1 4 . 1 1 70 70 PHE C C 70 173.768 173.768 174.099 -0.331 25827 1656 1 4 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.881 -0.723 25827 1657 1 4 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.580 -0.944 25827 1658 1 4 . 1 1 70 70 PHE H H 70 6.905 6.905 7.581 -0.676 25827 1659 1 4 . 1 1 71 71 GLU N N 71 119.497 119.497 121.915 -2.418 25827 1660 1 4 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.680 -0.099 25827 1661 1 4 . 1 1 71 71 GLU C C 71 174.993 174.993 174.426 0.567 25827 1662 1 4 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.132 1.080 25827 1663 1 4 . 1 1 71 71 GLU CB C 71 31.375 31.375 32.747 -1.372 25827 1664 1 4 . 1 1 71 71 GLU H H 71 8.081 8.081 8.386 -0.305 25827 1665 1 4 . 1 1 72 72 ALA N N 72 129.662 129.662 128.776 0.886 25827 1666 1 4 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.640 0.195 25827 1667 1 4 . 1 1 72 72 ALA C C 72 176.179 176.179 176.133 0.046 25827 1668 1 4 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.298 -0.306 25827 1669 1 4 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.358 0.606 25827 1670 1 4 . 1 1 72 72 ALA H H 72 8.925 8.925 8.594 0.331 25827 1671 1 4 . 1 1 73 73 SER N N 73 114.042 114.042 117.016 -2.974 25827 1672 1 4 . 1 1 73 73 SER HA H 73 4.716 4.716 4.988 -0.272 25827 1673 1 4 . 1 1 73 73 SER C C 73 172.675 172.675 173.436 -0.761 25827 1674 1 4 . 1 1 73 73 SER CA C 73 57.156 57.156 56.662 0.494 25827 1675 1 4 . 1 1 73 73 SER CB C 73 65.581 65.581 66.752 -1.171 25827 1676 1 4 . 1 1 73 73 SER H H 73 8.794 8.794 8.652 0.142 25827 1677 1 4 . 1 1 74 74 ILE N N 74 122.487 122.487 123.539 -1.052 25827 1678 1 4 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.057 -0.081 25827 1679 1 4 . 1 1 74 74 ILE C C 74 176.045 176.045 174.580 1.465 25827 1680 1 4 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.497 1.079 25827 1681 1 4 . 1 1 74 74 ILE CB C 74 38.471 38.471 39.285 -0.814 25827 1682 1 4 . 1 1 74 74 ILE H H 74 8.813 8.813 8.843 -0.030 25827 1683 1 4 . 1 1 75 75 ALA N N 75 131.516 131.516 130.435 1.081 25827 1684 1 4 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.839 -0.375 25827 1685 1 4 . 1 1 75 75 ALA C C 75 176.045 176.045 174.667 1.378 25827 1686 1 4 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.450 0.779 25827 1687 1 4 . 1 1 75 75 ALA CB C 75 19.842 19.842 21.231 -1.389 25827 1688 1 4 . 1 1 75 75 ALA H H 75 8.400 8.400 8.787 -0.387 25827 1689 1 5 . 1 1 2 2 GLY N N 2 109.659 109.659 108.732 0.927 25827 1690 1 5 . 1 1 2 2 GLY C C 2 174.061 174.061 174.022 0.039 25827 1691 1 5 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.935 0.716 25827 1692 1 5 . 1 1 2 2 GLY H H 2 8.539 8.539 8.310 0.229 25827 1693 1 5 . 1 1 3 3 HIS N N 3 120.603 120.603 121.155 -0.552 25827 1694 1 5 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.698 -0.289 25827 1695 1 5 . 1 1 3 3 HIS C C 3 176.072 176.072 174.270 1.802 25827 1696 1 5 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.369 0.642 25827 1697 1 5 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.025 3.337 25827 1698 1 5 . 1 1 3 3 HIS H H 3 8.030 8.030 8.511 -0.481 25827 1699 1 5 . 1 1 4 4 MET N N 4 124.310 124.310 124.342 -0.032 25827 1700 1 5 . 1 1 4 4 MET C C 4 176.179 176.179 175.454 0.725 25827 1701 1 5 . 1 1 4 4 MET CA C 4 61.071 61.071 54.963 6.108 25827 1702 1 5 . 1 1 4 4 MET CB C 4 38.720 38.720 33.323 5.397 25827 1703 1 5 . 1 1 4 4 MET H H 4 8.410 8.410 8.686 -0.276 25827 1704 1 5 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.675 -0.379 25827 1705 1 5 . 1 1 5 5 GLN C C 5 174.687 174.687 173.972 0.715 25827 1706 1 5 . 1 1 5 5 GLN CA C 5 56.218 56.218 55.091 1.127 25827 1707 1 5 . 1 1 5 5 GLN CB C 5 29.561 29.561 30.621 -1.060 25827 1708 1 5 . 1 1 6 6 VAL N N 6 120.095 120.095 123.432 -3.337 25827 1709 1 5 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.671 -0.324 25827 1710 1 5 . 1 1 6 6 VAL C C 6 174.807 174.807 173.897 0.910 25827 1711 1 5 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.610 0.808 25827 1712 1 5 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.563 -0.243 25827 1713 1 5 . 1 1 6 6 VAL H H 6 7.942 7.942 8.559 -0.617 25827 1714 1 5 . 1 1 7 7 ALA N N 7 130.230 130.230 130.793 -0.563 25827 1715 1 5 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.979 -0.344 25827 1716 1 5 . 1 1 7 7 ALA C C 7 174.913 174.913 175.418 -0.505 25827 1717 1 5 . 1 1 7 7 ALA CA C 7 50.684 50.684 51.190 -0.506 25827 1718 1 5 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.896 -0.259 25827 1719 1 5 . 1 1 7 7 ALA H H 7 8.952 8.952 8.312 0.640 25827 1720 1 5 . 1 1 8 8 THR N N 8 114.219 114.219 114.630 -0.411 25827 1721 1 5 . 1 1 8 8 THR HA H 8 5.594 5.594 5.453 0.141 25827 1722 1 5 . 1 1 8 8 THR C C 8 174.846 174.846 174.258 0.588 25827 1723 1 5 . 1 1 8 8 THR CA C 8 61.524 61.524 60.370 1.154 25827 1724 1 5 . 1 1 8 8 THR CB C 8 71.228 71.228 70.061 1.167 25827 1725 1 5 . 1 1 8 8 THR H H 8 8.211 8.211 8.390 -0.179 25827 1726 1 5 . 1 1 9 9 SER N N 9 121.231 121.231 120.154 1.077 25827 1727 1 5 . 1 1 9 9 SER HA H 9 5.049 5.049 4.920 0.129 25827 1728 1 5 . 1 1 9 9 SER C C 9 172.023 172.023 173.043 -1.020 25827 1729 1 5 . 1 1 9 9 SER CA C 9 57.822 57.822 57.073 0.749 25827 1730 1 5 . 1 1 9 9 SER CB C 9 67.178 67.178 65.934 1.244 25827 1731 1 5 . 1 1 9 9 SER H H 9 9.329 9.329 8.354 0.975 25827 1732 1 5 . 1 1 10 10 THR N N 10 119.646 119.646 119.908 -0.262 25827 1733 1 5 . 1 1 10 10 THR HA H 10 5.423 5.423 5.561 -0.138 25827 1734 1 5 . 1 1 10 10 THR C C 10 173.754 173.754 174.718 -0.964 25827 1735 1 5 . 1 1 10 10 THR CA C 10 61.591 61.591 59.907 1.684 25827 1736 1 5 . 1 1 10 10 THR CB C 10 70.230 70.230 69.995 0.235 25827 1737 1 5 . 1 1 10 10 THR H H 10 8.790 8.790 8.745 0.045 25827 1738 1 5 . 1 1 11 11 VAL N N 11 122.726 122.726 121.423 1.303 25827 1739 1 5 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.246 -0.558 25827 1740 1 5 . 1 1 11 11 VAL C C 11 174.940 174.940 175.203 -0.263 25827 1741 1 5 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.440 0.047 25827 1742 1 5 . 1 1 11 11 VAL CB C 11 35.207 35.207 33.824 1.383 25827 1743 1 5 . 1 1 11 11 VAL H H 11 8.973 8.973 9.039 -0.066 25827 1744 1 5 . 1 1 12 12 ARG N N 12 127.240 127.240 125.193 2.047 25827 1745 1 5 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.788 -0.237 25827 1746 1 5 . 1 1 12 12 ARG C C 12 175.632 175.632 175.189 0.443 25827 1747 1 5 . 1 1 12 12 ARG CA C 12 55.731 55.731 55.224 0.507 25827 1748 1 5 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.843 -0.823 25827 1749 1 5 . 1 1 12 12 ARG H H 12 9.274 9.274 8.761 0.513 25827 1750 1 5 . 1 1 13 13 ILE N N 13 123.234 123.234 121.629 1.605 25827 1751 1 5 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.362 0.379 25827 1752 1 5 . 1 1 13 13 ILE C C 13 174.540 174.540 174.969 -0.429 25827 1753 1 5 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.762 0.216 25827 1754 1 5 . 1 1 13 13 ILE CB C 13 41.487 41.487 39.733 1.754 25827 1755 1 5 . 1 1 13 13 ILE H H 13 8.210 8.210 8.771 -0.561 25827 1756 1 5 . 1 1 14 14 LEU N N 14 128.287 128.287 130.457 -2.170 25827 1757 1 5 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.801 -0.036 25827 1758 1 5 . 1 1 14 14 LEU C C 14 177.391 177.391 174.494 2.897 25827 1759 1 5 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.786 0.321 25827 1760 1 5 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.648 -1.032 25827 1761 1 5 . 1 1 14 14 LEU H H 14 9.146 9.146 9.114 0.032 25827 1762 1 5 . 1 1 15 15 GLY N N 15 107.835 107.835 109.938 -2.103 25827 1763 1 5 . 1 1 15 15 GLY C C 15 175.726 175.726 174.515 1.211 25827 1764 1 5 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.301 0.043 25827 1765 1 5 . 1 1 15 15 GLY H H 15 8.515 8.515 7.851 0.664 25827 1766 1 5 . 1 1 16 16 MET N N 16 120.244 120.244 118.870 1.374 25827 1767 1 5 . 1 1 16 16 MET HA H 16 4.699 4.699 4.353 0.346 25827 1768 1 5 . 1 1 16 16 MET C C 16 177.404 177.404 176.465 0.939 25827 1769 1 5 . 1 1 16 16 MET CA C 16 57.116 57.116 58.092 -0.976 25827 1770 1 5 . 1 1 16 16 MET CB C 16 34.852 34.852 33.047 1.805 25827 1771 1 5 . 1 1 16 16 MET H H 16 8.925 8.925 8.942 -0.017 25827 1772 1 5 . 1 1 17 17 THR C C 17 174.700 174.700 174.044 0.656 25827 1773 1 5 . 1 1 17 17 THR CA C 17 62.736 62.736 60.668 2.068 25827 1774 1 5 . 1 1 17 17 THR CB C 17 64.427 64.427 69.679 -5.252 25827 1775 1 5 . 1 1 18 18 CYS N N 18 120.513 120.513 125.211 -4.698 25827 1776 1 5 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.000 0.423 25827 1777 1 5 . 1 1 18 18 CYS C C 18 177.431 177.431 176.482 0.949 25827 1778 1 5 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.704 -5.197 25827 1779 1 5 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.626 14.638 25827 1780 1 5 . 1 1 18 18 CYS H H 18 8.691 8.691 8.914 -0.223 25827 1781 1 5 . 1 1 19 19 GLN N N 19 121.231 121.231 119.896 1.335 25827 1782 1 5 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.958 0.380 25827 1783 1 5 . 1 1 19 19 GLN C C 19 175.832 175.832 177.432 -1.600 25827 1784 1 5 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.654 -3.071 25827 1785 1 5 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.791 2.887 25827 1786 1 5 . 1 1 19 19 GLN H H 19 8.342 8.342 8.456 -0.114 25827 1787 1 5 . 1 1 20 20 SER N N 20 116.089 116.089 115.570 0.519 25827 1788 1 5 . 1 1 20 20 SER HA H 20 4.381 4.381 4.252 0.129 25827 1789 1 5 . 1 1 20 20 SER C C 20 177.004 177.004 176.427 0.577 25827 1790 1 5 . 1 1 20 20 SER H H 20 7.953 7.953 8.413 -0.460 25827 1791 1 5 . 1 1 21 21 CYS N N 21 125.147 125.147 119.486 5.661 25827 1792 1 5 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.281 -0.199 25827 1793 1 5 . 1 1 21 21 CYS C C 21 177.004 177.004 176.575 0.429 25827 1794 1 5 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.571 2.591 25827 1795 1 5 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.868 2.986 25827 1796 1 5 . 1 1 21 21 CYS H H 21 7.854 7.854 7.062 0.792 25827 1797 1 5 . 1 1 22 22 VAL N N 22 118.062 118.062 123.095 -5.033 25827 1798 1 5 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.510 0.842 25827 1799 1 5 . 1 1 22 22 VAL C C 22 177.178 177.178 177.775 -0.597 25827 1800 1 5 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.305 -0.760 25827 1801 1 5 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.188 0.542 25827 1802 1 5 . 1 1 22 22 VAL H H 22 6.834 6.834 8.202 -1.368 25827 1803 1 5 . 1 1 23 23 LYS N N 23 117.823 117.823 120.116 -2.293 25827 1804 1 5 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.894 0.188 25827 1805 1 5 . 1 1 23 23 LYS C C 23 178.456 178.456 178.528 -0.072 25827 1806 1 5 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.018 -1.224 25827 1807 1 5 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.172 0.267 25827 1808 1 5 . 1 1 23 23 LYS H H 23 7.936 7.936 8.326 -0.390 25827 1809 1 5 . 1 1 24 24 SER N N 24 113.895 113.895 115.264 -1.369 25827 1810 1 5 . 1 1 24 24 SER HA H 24 4.068 4.068 4.226 -0.158 25827 1811 1 5 . 1 1 24 24 SER C C 24 177.364 177.364 176.817 0.547 25827 1812 1 5 . 1 1 24 24 SER CA C 24 62.017 62.017 62.194 -0.177 25827 1813 1 5 . 1 1 24 24 SER CB C 24 62.600 62.600 62.867 -0.267 25827 1814 1 5 . 1 1 24 24 SER H H 24 8.062 8.062 7.849 0.213 25827 1815 1 5 . 1 1 25 25 ILE N N 25 122.845 122.845 123.012 -0.167 25827 1816 1 5 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.770 -0.228 25827 1817 1 5 . 1 1 25 25 ILE C C 25 177.537 177.537 176.826 0.711 25827 1818 1 5 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.246 1.766 25827 1819 1 5 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.987 0.804 25827 1820 1 5 . 1 1 25 25 ILE H H 25 7.888 7.888 8.008 -0.120 25827 1821 1 5 . 1 1 26 26 GLU N N 26 118.630 118.630 121.593 -2.963 25827 1822 1 5 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.891 -0.263 25827 1823 1 5 . 1 1 26 26 GLU C C 26 180.041 180.041 178.750 1.291 25827 1824 1 5 . 1 1 26 26 GLU CA C 26 61.178 61.178 60.148 1.030 25827 1825 1 5 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.504 0.097 25827 1826 1 5 . 1 1 26 26 GLU H H 26 8.519 8.519 8.627 -0.108 25827 1827 1 5 . 1 1 27 27 ASP N N 27 119.676 119.676 119.757 -0.081 25827 1828 1 5 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.435 -0.097 25827 1829 1 5 . 1 1 27 27 ASP C C 27 178.070 178.070 178.700 -0.630 25827 1830 1 5 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.292 0.237 25827 1831 1 5 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.517 -0.094 25827 1832 1 5 . 1 1 27 27 ASP H H 27 8.973 8.973 8.409 0.564 25827 1833 1 5 . 1 1 28 28 ARG N N 28 118.092 118.092 120.383 -2.291 25827 1834 1 5 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.276 -0.095 25827 1835 1 5 . 1 1 28 28 ARG C C 28 179.296 179.296 178.846 0.450 25827 1836 1 5 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.853 -0.258 25827 1837 1 5 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.252 0.058 25827 1838 1 5 . 1 1 28 28 ARG H H 28 7.630 7.630 7.407 0.223 25827 1839 1 5 . 1 1 29 29 ILE N N 29 116.597 116.597 119.531 -2.934 25827 1840 1 5 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.907 0.040 25827 1841 1 5 . 1 1 29 29 ILE C C 29 177.777 177.777 177.420 0.357 25827 1842 1 5 . 1 1 29 29 ILE CA C 29 60.685 60.685 63.390 -2.705 25827 1843 1 5 . 1 1 29 29 ILE CB C 29 35.278 35.278 38.131 -2.853 25827 1844 1 5 . 1 1 29 29 ILE H H 29 8.427 8.427 8.491 -0.064 25827 1845 1 5 . 1 1 30 30 SER N N 30 113.160 113.160 114.819 -1.659 25827 1846 1 5 . 1 1 30 30 SER HA H 30 4.049 4.049 4.282 -0.233 25827 1847 1 5 . 1 1 30 30 SER C C 30 173.941 173.941 175.605 -1.664 25827 1848 1 5 . 1 1 30 30 SER CA C 30 62.110 62.110 61.180 0.930 25827 1849 1 5 . 1 1 30 30 SER CB C 30 62.884 62.884 63.366 -0.482 25827 1850 1 5 . 1 1 30 30 SER H H 30 8.236 8.236 8.000 0.236 25827 1851 1 5 . 1 1 31 31 ASN N N 31 115.520 115.520 119.310 -3.790 25827 1852 1 5 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.610 0.164 25827 1853 1 5 . 1 1 31 31 ASN C C 31 175.046 175.046 174.678 0.368 25827 1854 1 5 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.447 -0.900 25827 1855 1 5 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.926 1.071 25827 1856 1 5 . 1 1 31 31 ASN H H 31 6.919 6.919 7.755 -0.836 25827 1857 1 5 . 1 1 32 32 LEU N N 32 122.666 122.666 121.391 1.275 25827 1858 1 5 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.407 -0.071 25827 1859 1 5 . 1 1 32 32 LEU C C 32 177.071 177.071 175.683 1.388 25827 1860 1 5 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.328 0.511 25827 1861 1 5 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.692 -0.885 25827 1862 1 5 . 1 1 32 32 LEU H H 32 7.620 7.620 7.116 0.504 25827 1863 1 5 . 1 1 33 33 LYS N N 33 125.955 125.955 127.467 -1.512 25827 1864 1 5 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.388 -0.334 25827 1865 1 5 . 1 1 33 33 LYS C C 33 176.698 176.698 177.406 -0.708 25827 1866 1 5 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.111 1.871 25827 1867 1 5 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.813 -0.871 25827 1868 1 5 . 1 1 33 33 LYS H H 33 8.451 8.451 8.684 -0.233 25827 1869 1 5 . 1 1 34 34 GLY N N 34 110.541 110.541 108.466 2.075 25827 1870 1 5 . 1 1 34 34 GLY C C 34 173.381 173.381 173.656 -0.275 25827 1871 1 5 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.634 0.910 25827 1872 1 5 . 1 1 34 34 GLY H H 34 8.616 8.616 8.623 -0.007 25827 1873 1 5 . 1 1 35 35 ILE N N 35 119.258 119.258 120.422 -1.164 25827 1874 1 5 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.452 -0.180 25827 1875 1 5 . 1 1 35 35 ILE C C 35 176.352 176.352 175.063 1.289 25827 1876 1 5 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.336 -2.728 25827 1877 1 5 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.369 -3.340 25827 1878 1 5 . 1 1 35 35 ILE H H 35 7.580 7.580 7.677 -0.097 25827 1879 1 5 . 1 1 36 36 ILE N N 36 130.708 130.708 129.498 1.210 25827 1880 1 5 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.211 -0.130 25827 1881 1 5 . 1 1 36 36 ILE C C 36 176.298 176.298 175.800 0.498 25827 1882 1 5 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.428 -0.637 25827 1883 1 5 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.238 -1.086 25827 1884 1 5 . 1 1 36 36 ILE H H 36 9.244 9.244 8.655 0.589 25827 1885 1 5 . 1 1 37 37 SER N N 37 111.336 111.336 112.732 -1.396 25827 1886 1 5 . 1 1 37 37 SER HA H 37 4.613 4.613 4.580 0.033 25827 1887 1 5 . 1 1 37 37 SER C C 37 171.809 171.809 171.829 -0.020 25827 1888 1 5 . 1 1 37 37 SER CA C 37 57.636 57.636 58.039 -0.403 25827 1889 1 5 . 1 1 37 37 SER CB C 37 64.729 64.729 64.981 -0.252 25827 1890 1 5 . 1 1 37 37 SER H H 37 8.002 8.002 7.521 0.481 25827 1891 1 5 . 1 1 38 38 MET N N 38 123.742 123.742 124.059 -0.317 25827 1892 1 5 . 1 1 38 38 MET HA H 38 5.006 5.006 4.630 0.376 25827 1893 1 5 . 1 1 38 38 MET C C 38 172.755 172.755 174.424 -1.669 25827 1894 1 5 . 1 1 38 38 MET CA C 38 54.719 54.719 54.815 -0.096 25827 1895 1 5 . 1 1 38 38 MET CB C 38 35.562 35.562 35.837 -0.275 25827 1896 1 5 . 1 1 38 38 MET H H 38 8.651 8.651 8.407 0.244 25827 1897 1 5 . 1 1 39 39 LYS N N 39 126.343 126.343 127.140 -0.797 25827 1898 1 5 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.670 0.284 25827 1899 1 5 . 1 1 39 39 LYS C C 39 175.872 175.872 173.777 2.095 25827 1900 1 5 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.142 -1.236 25827 1901 1 5 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.954 -1.350 25827 1902 1 5 . 1 1 39 39 LYS H H 39 8.173 8.173 8.531 -0.358 25827 1903 1 5 . 1 1 40 40 VAL N N 40 131.217 131.217 124.043 7.174 25827 1904 1 5 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.281 -0.014 25827 1905 1 5 . 1 1 40 40 VAL C C 40 174.327 174.327 174.151 0.176 25827 1906 1 5 . 1 1 40 40 VAL CA C 40 61.899 61.899 60.827 1.072 25827 1907 1 5 . 1 1 40 40 VAL CB C 40 32.617 32.617 35.058 -2.441 25827 1908 1 5 . 1 1 40 40 VAL H H 40 10.339 10.339 8.406 1.933 25827 1909 1 5 . 1 1 41 41 SER N N 41 121.440 121.440 123.116 -1.676 25827 1910 1 5 . 1 1 41 41 SER HA H 41 4.878 4.878 4.836 0.042 25827 1911 1 5 . 1 1 41 41 SER C C 41 175.179 175.179 174.274 0.905 25827 1912 1 5 . 1 1 41 41 SER CA C 41 55.359 55.359 56.257 -0.898 25827 1913 1 5 . 1 1 41 41 SER CB C 41 63.381 63.381 64.331 -0.950 25827 1914 1 5 . 1 1 41 41 SER H H 41 9.122 9.122 8.509 0.613 25827 1915 1 5 . 1 1 42 42 LEU N N 42 131.575 131.575 130.325 1.250 25827 1916 1 5 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.134 0.671 25827 1917 1 5 . 1 1 42 42 LEU C C 42 179.189 179.189 178.040 1.149 25827 1918 1 5 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.267 0.995 25827 1919 1 5 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.164 -0.251 25827 1920 1 5 . 1 1 42 42 LEU H H 42 9.139 9.139 8.941 0.198 25827 1921 1 5 . 1 1 43 43 GLU N N 43 117.524 117.524 117.540 -0.016 25827 1922 1 5 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.052 0.753 25827 1923 1 5 . 1 1 43 43 GLU C C 43 178.456 178.456 178.651 -0.195 25827 1924 1 5 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.457 1.469 25827 1925 1 5 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.575 -0.258 25827 1926 1 5 . 1 1 43 43 GLU H H 43 9.041 9.041 8.516 0.525 25827 1927 1 5 . 1 1 44 44 GLN N N 44 113.278 113.278 116.450 -3.172 25827 1928 1 5 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.258 0.078 25827 1929 1 5 . 1 1 44 44 GLN C C 44 176.765 176.765 177.044 -0.279 25827 1930 1 5 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.122 -0.577 25827 1931 1 5 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.775 -0.174 25827 1932 1 5 . 1 1 44 44 GLN H H 44 7.651 7.651 7.776 -0.125 25827 1933 1 5 . 1 1 45 45 GLY N N 45 110.453 110.453 107.696 2.757 25827 1934 1 5 . 1 1 45 45 GLY C C 45 174.487 174.487 173.377 1.110 25827 1935 1 5 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.552 1.790 25827 1936 1 5 . 1 1 45 45 GLY H H 45 7.884 7.884 8.037 -0.154 25827 1937 1 5 . 1 1 46 46 SER N N 46 111.130 111.130 114.715 -3.585 25827 1938 1 5 . 1 1 46 46 SER HA H 46 5.412 5.412 5.487 -0.075 25827 1939 1 5 . 1 1 46 46 SER C C 46 171.503 171.503 172.069 -0.566 25827 1940 1 5 . 1 1 46 46 SER CA C 46 56.544 56.544 57.061 -0.517 25827 1941 1 5 . 1 1 46 46 SER CB C 46 66.327 66.327 65.825 0.502 25827 1942 1 5 . 1 1 46 46 SER H H 46 7.807 7.807 7.500 0.307 25827 1943 1 5 . 1 1 47 47 ALA N N 47 120.663 120.663 125.819 -5.156 25827 1944 1 5 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.917 0.378 25827 1945 1 5 . 1 1 47 47 ALA C C 47 175.806 175.806 175.727 0.079 25827 1946 1 5 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.363 -0.011 25827 1947 1 5 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.354 2.597 25827 1948 1 5 . 1 1 47 47 ALA H H 47 9.349 9.349 9.123 0.226 25827 1949 1 5 . 1 1 48 48 THR N N 48 117.344 117.344 120.263 -2.919 25827 1950 1 5 . 1 1 48 48 THR HA H 48 4.880 4.880 5.010 -0.130 25827 1951 1 5 . 1 1 48 48 THR C C 48 173.847 173.847 173.804 0.043 25827 1952 1 5 . 1 1 48 48 THR CA C 48 62.163 62.163 61.914 0.249 25827 1953 1 5 . 1 1 48 48 THR CB C 48 69.698 69.698 69.473 0.225 25827 1954 1 5 . 1 1 48 48 THR H H 48 8.634 8.634 8.441 0.193 25827 1955 1 5 . 1 1 49 49 VAL N N 49 129.782 129.782 122.595 7.187 25827 1956 1 5 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.472 0.386 25827 1957 1 5 . 1 1 49 49 VAL C C 49 173.208 173.208 173.632 -0.424 25827 1958 1 5 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.586 0.275 25827 1959 1 5 . 1 1 49 49 VAL CB C 49 34.852 34.852 34.465 0.387 25827 1960 1 5 . 1 1 49 49 VAL H H 49 9.400 9.400 9.054 0.346 25827 1961 1 5 . 1 1 50 50 LYS N N 50 128.107 128.107 123.203 4.904 25827 1962 1 5 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.002 0.922 25827 1963 1 5 . 1 1 50 50 LYS C C 50 176.671 176.671 174.958 1.713 25827 1964 1 5 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.008 0.044 25827 1965 1 5 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.040 0.315 25827 1966 1 5 . 1 1 50 50 LYS H H 50 8.997 8.997 7.835 1.162 25827 1967 1 5 . 1 1 51 51 TYR N N 51 124.310 124.310 121.985 2.325 25827 1968 1 5 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.803 0.748 25827 1969 1 5 . 1 1 51 51 TYR C C 51 171.343 171.343 174.597 -3.254 25827 1970 1 5 . 1 1 51 51 TYR CA C 51 55.492 55.492 57.090 -1.599 25827 1971 1 5 . 1 1 51 51 TYR CB C 51 41.452 41.452 42.820 -1.368 25827 1972 1 5 . 1 1 51 51 TYR H H 51 9.478 9.478 7.978 1.500 25827 1973 1 5 . 1 1 52 52 VAL N N 52 122.068 122.068 122.681 -0.613 25827 1974 1 5 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.706 0.014 25827 1975 1 5 . 1 1 52 52 VAL C C 52 176.045 176.045 175.246 0.799 25827 1976 1 5 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.946 -0.366 25827 1977 1 5 . 1 1 52 52 VAL CB C 52 32.688 32.688 32.169 0.519 25827 1978 1 5 . 1 1 52 52 VAL H H 52 8.702 8.702 9.237 -0.535 25827 1979 1 5 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.535 -0.168 25827 1980 1 5 . 1 1 53 53 PRO C C 53 177.111 177.111 177.199 -0.088 25827 1981 1 5 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.010 -0.669 25827 1982 1 5 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.990 -0.050 25827 1983 1 5 . 1 1 54 54 SER N N 54 109.924 109.924 111.511 -1.587 25827 1984 1 5 . 1 1 54 54 SER HA H 54 4.345 4.345 4.367 -0.022 25827 1985 1 5 . 1 1 54 54 SER C C 54 174.580 174.580 175.174 -0.594 25827 1986 1 5 . 1 1 54 54 SER CA C 54 59.726 59.726 59.799 -0.073 25827 1987 1 5 . 1 1 54 54 SER CB C 54 62.635 62.635 63.122 -0.487 25827 1988 1 5 . 1 1 54 54 SER H H 54 7.898 7.898 8.139 -0.241 25827 1989 1 5 . 1 1 55 55 VAL N N 55 121.919 121.919 119.973 1.946 25827 1990 1 5 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.130 -0.007 25827 1991 1 5 . 1 1 55 55 VAL C C 55 174.607 174.607 175.814 -1.207 25827 1992 1 5 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.935 -0.214 25827 1993 1 5 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.338 1.230 25827 1994 1 5 . 1 1 55 55 VAL H H 55 8.163 8.163 7.617 0.546 25827 1995 1 5 . 1 1 56 56 VAL N N 56 121.380 121.380 118.549 2.831 25827 1996 1 5 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.525 0.046 25827 1997 1 5 . 1 1 56 56 VAL C C 56 170.477 170.477 174.908 -4.431 25827 1998 1 5 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.973 -1.140 25827 1999 1 5 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.002 1.418 25827 2000 1 5 . 1 1 56 56 VAL H H 56 8.254 8.254 8.453 -0.199 25827 2001 1 5 . 1 1 57 57 CYS N N 57 121.201 121.201 124.749 -3.548 25827 2002 1 5 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.817 0.287 25827 2003 1 5 . 1 1 57 57 CYS C C 57 176.591 176.591 175.885 0.706 25827 2004 1 5 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.470 -0.845 25827 2005 1 5 . 1 1 57 57 CYS CB C 57 30.878 30.878 30.074 0.804 25827 2006 1 5 . 1 1 57 57 CYS H H 57 7.885 7.885 8.501 -0.616 25827 2007 1 5 . 1 1 58 58 LEU N N 58 125.028 125.028 122.553 2.475 25827 2008 1 5 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.856 -0.228 25827 2009 1 5 . 1 1 58 58 LEU C C 58 179.335 179.335 178.998 0.337 25827 2010 1 5 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.318 -0.913 25827 2011 1 5 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.813 -0.505 25827 2012 1 5 . 1 1 58 58 LEU H H 58 8.555 8.555 8.652 -0.097 25827 2013 1 5 . 1 1 59 59 GLN N N 59 120.812 120.812 117.601 3.211 25827 2014 1 5 . 1 1 59 59 GLN HA H 59 3.969 3.969 4.023 -0.054 25827 2015 1 5 . 1 1 59 59 GLN C C 59 178.629 178.629 178.748 -0.119 25827 2016 1 5 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.051 0.702 25827 2017 1 5 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.827 0.061 25827 2018 1 5 . 1 1 59 59 GLN H H 59 9.081 9.081 8.722 0.359 25827 2019 1 5 . 1 1 60 60 GLN N N 60 120.513 120.513 119.314 1.199 25827 2020 1 5 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.003 0.158 25827 2021 1 5 . 1 1 60 60 GLN C C 60 179.002 179.002 178.500 0.502 25827 2022 1 5 . 1 1 60 60 GLN CA C 60 58.887 58.887 59.093 -0.206 25827 2023 1 5 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.542 0.207 25827 2024 1 5 . 1 1 60 60 GLN H H 60 7.793 7.793 7.571 0.222 25827 2025 1 5 . 1 1 61 61 VAL N N 61 119.886 119.886 120.371 -0.485 25827 2026 1 5 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.967 -0.673 25827 2027 1 5 . 1 1 61 61 VAL C C 61 177.564 177.564 178.172 -0.608 25827 2028 1 5 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.276 0.828 25827 2029 1 5 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.492 -0.259 25827 2030 1 5 . 1 1 61 61 VAL H H 61 7.359 7.359 7.446 -0.087 25827 2031 1 5 . 1 1 62 62 CYS N N 62 116.059 116.059 117.476 -1.417 25827 2032 1 5 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.057 -0.253 25827 2033 1 5 . 1 1 62 62 CYS C C 62 177.630 177.630 176.682 0.948 25827 2034 1 5 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.526 0.141 25827 2035 1 5 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.933 -0.419 25827 2036 1 5 . 1 1 62 62 CYS H H 62 8.034 8.034 8.538 -0.504 25827 2037 1 5 . 1 1 63 63 HIS N N 63 121.440 121.440 119.889 1.551 25827 2038 1 5 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.182 0.241 25827 2039 1 5 . 1 1 63 63 HIS C C 63 178.097 178.097 177.460 0.637 25827 2040 1 5 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.288 -0.948 25827 2041 1 5 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.754 0.627 25827 2042 1 5 . 1 1 63 63 HIS H H 63 8.430 8.430 8.408 0.022 25827 2043 1 5 . 1 1 64 64 GLN N N 64 118.839 118.839 118.400 0.439 25827 2044 1 5 . 1 1 64 64 GLN HA H 64 4.027 4.027 3.974 0.053 25827 2045 1 5 . 1 1 64 64 GLN C C 64 178.536 178.536 178.512 0.024 25827 2046 1 5 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.365 -0.025 25827 2047 1 5 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.672 -0.562 25827 2048 1 5 . 1 1 64 64 GLN H H 64 8.102 8.102 7.893 0.209 25827 2049 1 5 . 1 1 65 65 ILE N N 65 119.228 119.228 120.549 -1.321 25827 2050 1 5 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.038 -0.353 25827 2051 1 5 . 1 1 65 65 ILE C C 65 178.656 178.656 177.512 1.144 25827 2052 1 5 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.378 2.674 25827 2053 1 5 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.233 0.132 25827 2054 1 5 . 1 1 65 65 ILE H H 65 7.858 7.858 7.552 0.306 25827 2055 1 5 . 1 1 66 66 GLY N N 66 109.453 109.453 107.727 1.726 25827 2056 1 5 . 1 1 66 66 GLY C C 66 178.643 178.643 176.083 2.560 25827 2057 1 5 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.164 -0.062 25827 2058 1 5 . 1 1 66 66 GLY H H 66 8.379 8.379 8.435 -0.056 25827 2059 1 5 . 1 1 67 67 ASP N N 67 123.114 123.114 121.359 1.755 25827 2060 1 5 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.205 0.259 25827 2061 1 5 . 1 1 67 67 ASP C C 67 177.497 177.497 177.515 -0.018 25827 2062 1 5 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.309 0.248 25827 2063 1 5 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.714 0.383 25827 2064 1 5 . 1 1 67 67 ASP H H 67 8.091 8.091 8.168 -0.077 25827 2065 1 5 . 1 1 68 68 MET N N 68 115.939 115.939 117.701 -1.762 25827 2066 1 5 . 1 1 68 68 MET HA H 68 4.297 4.297 4.299 -0.002 25827 2067 1 5 . 1 1 68 68 MET C C 68 175.739 175.739 177.041 -1.302 25827 2068 1 5 . 1 1 68 68 MET CA C 68 56.490 56.490 55.964 0.526 25827 2069 1 5 . 1 1 68 68 MET CB C 68 34.355 34.355 33.649 0.706 25827 2070 1 5 . 1 1 68 68 MET H H 68 7.576 7.576 7.497 0.079 25827 2071 1 5 . 1 1 69 69 GLY N N 69 104.775 104.775 105.493 -0.718 25827 2072 1 5 . 1 1 69 69 GLY C C 69 173.328 173.328 173.690 -0.362 25827 2073 1 5 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.321 0.464 25827 2074 1 5 . 1 1 69 69 GLY H H 69 7.880 7.880 7.688 0.192 25827 2075 1 5 . 1 1 70 70 PHE N N 70 118.809 118.809 120.071 -1.262 25827 2076 1 5 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.701 0.211 25827 2077 1 5 . 1 1 70 70 PHE C C 70 173.768 173.768 174.558 -0.790 25827 2078 1 5 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.066 -0.908 25827 2079 1 5 . 1 1 70 70 PHE CB C 70 40.636 40.636 40.981 -0.345 25827 2080 1 5 . 1 1 70 70 PHE H H 70 6.905 6.905 7.367 -0.462 25827 2081 1 5 . 1 1 71 71 GLU N N 71 119.497 119.497 121.431 -1.934 25827 2082 1 5 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.590 -0.009 25827 2083 1 5 . 1 1 71 71 GLU C C 71 174.993 174.993 175.438 -0.445 25827 2084 1 5 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.983 0.229 25827 2085 1 5 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.171 0.204 25827 2086 1 5 . 1 1 71 71 GLU H H 71 8.081 8.081 8.359 -0.278 25827 2087 1 5 . 1 1 72 72 ALA N N 72 129.662 129.662 125.001 4.661 25827 2088 1 5 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.364 0.471 25827 2089 1 5 . 1 1 72 72 ALA C C 72 176.179 176.179 175.999 0.180 25827 2090 1 5 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.878 -0.886 25827 2091 1 5 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.379 0.585 25827 2092 1 5 . 1 1 72 72 ALA H H 72 8.925 8.925 8.252 0.673 25827 2093 1 5 . 1 1 73 73 SER N N 73 114.042 114.042 115.951 -1.909 25827 2094 1 5 . 1 1 73 73 SER HA H 73 4.716 4.716 4.834 -0.118 25827 2095 1 5 . 1 1 73 73 SER C C 73 172.675 172.675 173.510 -0.835 25827 2096 1 5 . 1 1 73 73 SER CA C 73 57.156 57.156 56.983 0.173 25827 2097 1 5 . 1 1 73 73 SER CB C 73 65.581 65.581 65.463 0.118 25827 2098 1 5 . 1 1 73 73 SER H H 73 8.794 8.794 8.338 0.456 25827 2099 1 5 . 1 1 74 74 ILE N N 74 122.487 122.487 125.214 -2.727 25827 2100 1 5 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.119 -0.143 25827 2101 1 5 . 1 1 74 74 ILE C C 74 176.045 176.045 175.134 0.911 25827 2102 1 5 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.818 0.758 25827 2103 1 5 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.064 0.407 25827 2104 1 5 . 1 1 74 74 ILE H H 74 8.813 8.813 8.671 0.142 25827 2105 1 5 . 1 1 75 75 ALA N N 75 131.516 131.516 130.584 0.932 25827 2106 1 5 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.764 -0.300 25827 2107 1 5 . 1 1 75 75 ALA C C 75 176.045 176.045 175.933 0.112 25827 2108 1 5 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.658 1.571 25827 2109 1 5 . 1 1 75 75 ALA CB C 75 19.842 19.842 21.820 -1.978 25827 2110 1 5 . 1 1 75 75 ALA H H 75 8.400 8.400 8.324 0.076 25827 2111 1 6 . 1 1 2 2 GLY N N 2 109.659 109.659 108.640 1.019 25827 2112 1 6 . 1 1 2 2 GLY C C 2 174.061 174.061 173.955 0.106 25827 2113 1 6 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.898 0.753 25827 2114 1 6 . 1 1 2 2 GLY H H 2 8.539 8.539 8.577 -0.038 25827 2115 1 6 . 1 1 3 3 HIS N N 3 120.603 120.603 120.928 -0.325 25827 2116 1 6 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.826 -0.417 25827 2117 1 6 . 1 1 3 3 HIS C C 3 176.072 176.072 175.179 0.893 25827 2118 1 6 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.768 0.243 25827 2119 1 6 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.233 3.130 25827 2120 1 6 . 1 1 3 3 HIS H H 3 8.030 8.030 8.158 -0.128 25827 2121 1 6 . 1 1 4 4 MET N N 4 124.310 124.310 120.198 4.112 25827 2122 1 6 . 1 1 4 4 MET C C 4 176.179 176.179 175.230 0.949 25827 2123 1 6 . 1 1 4 4 MET CA C 4 61.071 61.071 55.654 5.417 25827 2124 1 6 . 1 1 4 4 MET CB C 4 38.720 38.720 32.354 6.366 25827 2125 1 6 . 1 1 4 4 MET H H 4 8.410 8.410 8.485 -0.075 25827 2126 1 6 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.012 0.284 25827 2127 1 6 . 1 1 5 5 GLN C C 5 174.687 174.687 174.275 0.412 25827 2128 1 6 . 1 1 5 5 GLN CA C 5 56.218 56.218 56.830 -0.612 25827 2129 1 6 . 1 1 5 5 GLN CB C 5 29.561 29.561 28.021 1.540 25827 2130 1 6 . 1 1 6 6 VAL N N 6 120.095 120.095 116.360 3.735 25827 2131 1 6 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.220 0.127 25827 2132 1 6 . 1 1 6 6 VAL C C 6 174.807 174.807 174.187 0.620 25827 2133 1 6 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.829 0.589 25827 2134 1 6 . 1 1 6 6 VAL CB C 6 34.320 34.320 33.041 1.279 25827 2135 1 6 . 1 1 6 6 VAL H H 6 7.942 7.942 7.477 0.465 25827 2136 1 6 . 1 1 7 7 ALA N N 7 130.230 130.230 131.879 -1.649 25827 2137 1 6 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.807 -0.172 25827 2138 1 6 . 1 1 7 7 ALA C C 7 174.913 174.913 175.837 -0.924 25827 2139 1 6 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.410 0.274 25827 2140 1 6 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.399 0.238 25827 2141 1 6 . 1 1 7 7 ALA H H 7 8.952 8.952 8.373 0.579 25827 2142 1 6 . 1 1 8 8 THR N N 8 114.219 114.219 113.757 0.462 25827 2143 1 6 . 1 1 8 8 THR HA H 8 5.594 5.594 5.549 0.045 25827 2144 1 6 . 1 1 8 8 THR C C 8 174.846 174.846 174.124 0.722 25827 2145 1 6 . 1 1 8 8 THR CA C 8 61.524 61.524 59.518 2.006 25827 2146 1 6 . 1 1 8 8 THR CB C 8 71.228 71.228 70.389 0.839 25827 2147 1 6 . 1 1 8 8 THR H H 8 8.211 8.211 8.272 -0.061 25827 2148 1 6 . 1 1 9 9 SER N N 9 121.231 121.231 120.398 0.833 25827 2149 1 6 . 1 1 9 9 SER HA H 9 5.049 5.049 4.712 0.337 25827 2150 1 6 . 1 1 9 9 SER C C 9 172.023 172.023 172.445 -0.422 25827 2151 1 6 . 1 1 9 9 SER CA C 9 57.822 57.822 58.035 -0.213 25827 2152 1 6 . 1 1 9 9 SER CB C 9 67.178 67.178 65.211 1.967 25827 2153 1 6 . 1 1 9 9 SER H H 9 9.329 9.329 8.338 0.991 25827 2154 1 6 . 1 1 10 10 THR N N 10 119.646 119.646 117.008 2.638 25827 2155 1 6 . 1 1 10 10 THR HA H 10 5.423 5.423 5.549 -0.126 25827 2156 1 6 . 1 1 10 10 THR C C 10 173.754 173.754 172.873 0.881 25827 2157 1 6 . 1 1 10 10 THR CA C 10 61.591 61.591 59.943 1.648 25827 2158 1 6 . 1 1 10 10 THR CB C 10 70.230 70.230 71.466 -1.236 25827 2159 1 6 . 1 1 10 10 THR H H 10 8.790 8.790 8.806 -0.016 25827 2160 1 6 . 1 1 11 11 VAL N N 11 122.726 122.726 124.022 -1.296 25827 2161 1 6 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.173 -0.485 25827 2162 1 6 . 1 1 11 11 VAL C C 11 174.940 174.940 173.854 1.086 25827 2163 1 6 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.502 -0.015 25827 2164 1 6 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.786 -0.579 25827 2165 1 6 . 1 1 11 11 VAL H H 11 8.973 8.973 9.037 -0.064 25827 2166 1 6 . 1 1 12 12 ARG N N 12 127.240 127.240 128.586 -1.346 25827 2167 1 6 . 1 1 12 12 ARG HA H 12 4.551 4.551 5.175 -0.624 25827 2168 1 6 . 1 1 12 12 ARG C C 12 175.632 175.632 175.000 0.632 25827 2169 1 6 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.291 1.440 25827 2170 1 6 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.179 -1.159 25827 2171 1 6 . 1 1 12 12 ARG H H 12 9.274 9.274 9.050 0.224 25827 2172 1 6 . 1 1 13 13 ILE N N 13 123.234 123.234 122.887 0.347 25827 2173 1 6 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.587 0.154 25827 2174 1 6 . 1 1 13 13 ILE C C 13 174.540 174.540 174.979 -0.439 25827 2175 1 6 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.685 0.292 25827 2176 1 6 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.042 1.444 25827 2177 1 6 . 1 1 13 13 ILE H H 13 8.210 8.210 8.857 -0.647 25827 2178 1 6 . 1 1 14 14 LEU N N 14 128.287 128.287 129.855 -1.568 25827 2179 1 6 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.789 -0.024 25827 2180 1 6 . 1 1 14 14 LEU C C 14 177.391 177.391 174.839 2.552 25827 2181 1 6 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.721 0.386 25827 2182 1 6 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.377 -0.761 25827 2183 1 6 . 1 1 14 14 LEU H H 14 9.146 9.146 9.057 0.089 25827 2184 1 6 . 1 1 15 15 GLY N N 15 107.835 107.835 110.716 -2.881 25827 2185 1 6 . 1 1 15 15 GLY C C 15 175.726 175.726 174.750 0.976 25827 2186 1 6 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.340 0.004 25827 2187 1 6 . 1 1 15 15 GLY H H 15 8.515 8.515 7.975 0.540 25827 2188 1 6 . 1 1 16 16 MET N N 16 120.244 120.244 119.947 0.297 25827 2189 1 6 . 1 1 16 16 MET HA H 16 4.699 4.699 4.317 0.382 25827 2190 1 6 . 1 1 16 16 MET C C 16 177.404 177.404 176.832 0.572 25827 2191 1 6 . 1 1 16 16 MET CA C 16 57.116 57.116 58.321 -1.205 25827 2192 1 6 . 1 1 16 16 MET CB C 16 34.852 34.852 33.058 1.794 25827 2193 1 6 . 1 1 16 16 MET H H 16 8.925 8.925 8.895 0.030 25827 2194 1 6 . 1 1 17 17 THR C C 17 174.700 174.700 174.233 0.467 25827 2195 1 6 . 1 1 17 17 THR CA C 17 62.736 62.736 61.629 1.107 25827 2196 1 6 . 1 1 17 17 THR CB C 17 64.427 64.427 68.077 -3.650 25827 2197 1 6 . 1 1 18 18 CYS N N 18 120.513 120.513 123.209 -2.696 25827 2198 1 6 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.117 0.306 25827 2199 1 6 . 1 1 18 18 CYS C C 18 177.431 177.431 176.563 0.868 25827 2200 1 6 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.809 -5.302 25827 2201 1 6 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.708 14.556 25827 2202 1 6 . 1 1 18 18 CYS H H 18 8.691 8.691 8.437 0.254 25827 2203 1 6 . 1 1 19 19 GLN N N 19 121.231 121.231 120.354 0.877 25827 2204 1 6 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.976 0.362 25827 2205 1 6 . 1 1 19 19 GLN C C 19 175.832 175.832 177.227 -1.395 25827 2206 1 6 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.070 -2.487 25827 2207 1 6 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.417 3.261 25827 2208 1 6 . 1 1 19 19 GLN H H 19 8.342 8.342 8.551 -0.209 25827 2209 1 6 . 1 1 20 20 SER N N 20 116.089 116.089 116.764 -0.675 25827 2210 1 6 . 1 1 20 20 SER HA H 20 4.381 4.381 4.222 0.159 25827 2211 1 6 . 1 1 20 20 SER C C 20 177.004 177.004 176.402 0.602 25827 2212 1 6 . 1 1 20 20 SER H H 20 7.953 7.953 8.471 -0.518 25827 2213 1 6 . 1 1 21 21 CYS N N 21 125.147 125.147 119.487 5.660 25827 2214 1 6 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.769 0.313 25827 2215 1 6 . 1 1 21 21 CYS C C 21 177.004 177.004 176.285 0.719 25827 2216 1 6 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.902 2.260 25827 2217 1 6 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.160 3.695 25827 2218 1 6 . 1 1 21 21 CYS H H 21 7.854 7.854 7.265 0.589 25827 2219 1 6 . 1 1 22 22 VAL N N 22 118.062 118.062 122.668 -4.606 25827 2220 1 6 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.416 0.936 25827 2221 1 6 . 1 1 22 22 VAL C C 22 177.178 177.178 177.868 -0.690 25827 2222 1 6 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.970 -0.425 25827 2223 1 6 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.260 0.470 25827 2224 1 6 . 1 1 22 22 VAL H H 22 6.834 6.834 7.953 -1.119 25827 2225 1 6 . 1 1 23 23 LYS N N 23 117.823 117.823 120.218 -2.395 25827 2226 1 6 . 1 1 23 23 LYS HA H 23 4.082 4.082 4.159 -0.077 25827 2227 1 6 . 1 1 23 23 LYS C C 23 178.456 178.456 179.010 -0.554 25827 2228 1 6 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.690 -0.896 25827 2229 1 6 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.278 0.161 25827 2230 1 6 . 1 1 23 23 LYS H H 23 7.936 7.936 8.085 -0.149 25827 2231 1 6 . 1 1 24 24 SER N N 24 113.895 113.895 115.878 -1.983 25827 2232 1 6 . 1 1 24 24 SER HA H 24 4.068 4.068 4.159 -0.091 25827 2233 1 6 . 1 1 24 24 SER C C 24 177.364 177.364 176.559 0.805 25827 2234 1 6 . 1 1 24 24 SER CA C 24 62.017 62.017 62.395 -0.379 25827 2235 1 6 . 1 1 24 24 SER CB C 24 62.600 62.600 63.018 -0.418 25827 2236 1 6 . 1 1 24 24 SER H H 24 8.062 8.062 8.076 -0.014 25827 2237 1 6 . 1 1 25 25 ILE N N 25 122.845 122.845 123.334 -0.489 25827 2238 1 6 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.649 -0.107 25827 2239 1 6 . 1 1 25 25 ILE C C 25 177.537 177.537 176.912 0.625 25827 2240 1 6 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.600 1.412 25827 2241 1 6 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.830 0.961 25827 2242 1 6 . 1 1 25 25 ILE H H 25 7.888 7.888 8.207 -0.319 25827 2243 1 6 . 1 1 26 26 GLU N N 26 118.630 118.630 120.896 -2.266 25827 2244 1 6 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.946 -0.318 25827 2245 1 6 . 1 1 26 26 GLU C C 26 180.041 180.041 178.886 1.155 25827 2246 1 6 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.658 1.520 25827 2247 1 6 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.322 0.279 25827 2248 1 6 . 1 1 26 26 GLU H H 26 8.519 8.519 8.166 0.353 25827 2249 1 6 . 1 1 27 27 ASP N N 27 119.676 119.676 119.801 -0.125 25827 2250 1 6 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.403 -0.065 25827 2251 1 6 . 1 1 27 27 ASP C C 27 178.070 178.070 178.715 -0.645 25827 2252 1 6 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.168 0.361 25827 2253 1 6 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.911 -0.488 25827 2254 1 6 . 1 1 27 27 ASP H H 27 8.973 8.973 7.942 1.031 25827 2255 1 6 . 1 1 28 28 ARG N N 28 118.092 118.092 119.116 -1.024 25827 2256 1 6 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.084 0.097 25827 2257 1 6 . 1 1 28 28 ARG C C 28 179.296 179.296 179.066 0.230 25827 2258 1 6 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.437 0.158 25827 2259 1 6 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.937 0.373 25827 2260 1 6 . 1 1 28 28 ARG H H 28 7.630 7.630 8.131 -0.501 25827 2261 1 6 . 1 1 29 29 ILE N N 29 116.597 116.597 119.264 -2.667 25827 2262 1 6 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.773 0.174 25827 2263 1 6 . 1 1 29 29 ILE C C 29 177.777 177.777 176.109 1.668 25827 2264 1 6 . 1 1 29 29 ILE CA C 29 60.685 60.685 63.992 -3.307 25827 2265 1 6 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.939 -2.661 25827 2266 1 6 . 1 1 29 29 ILE H H 29 8.427 8.427 8.418 0.009 25827 2267 1 6 . 1 1 30 30 SER N N 30 113.160 113.160 113.738 -0.578 25827 2268 1 6 . 1 1 30 30 SER HA H 30 4.049 4.049 4.207 -0.158 25827 2269 1 6 . 1 1 30 30 SER C C 30 173.941 173.941 175.778 -1.837 25827 2270 1 6 . 1 1 30 30 SER CA C 30 62.110 62.110 60.810 1.300 25827 2271 1 6 . 1 1 30 30 SER CB C 30 62.884 62.884 63.445 -0.561 25827 2272 1 6 . 1 1 30 30 SER H H 30 8.236 8.236 7.934 0.301 25827 2273 1 6 . 1 1 31 31 ASN N N 31 115.520 115.520 118.665 -3.145 25827 2274 1 6 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.565 0.209 25827 2275 1 6 . 1 1 31 31 ASN C C 31 175.046 175.046 175.738 -0.692 25827 2276 1 6 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.366 -0.819 25827 2277 1 6 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.980 1.017 25827 2278 1 6 . 1 1 31 31 ASN H H 31 6.919 6.919 7.768 -0.849 25827 2279 1 6 . 1 1 32 32 LEU N N 32 122.666 122.666 120.460 2.206 25827 2280 1 6 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.301 0.035 25827 2281 1 6 . 1 1 32 32 LEU C C 32 177.071 177.071 176.318 0.753 25827 2282 1 6 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.937 -0.098 25827 2283 1 6 . 1 1 32 32 LEU CB C 32 41.807 41.807 41.870 -0.063 25827 2284 1 6 . 1 1 32 32 LEU H H 32 7.620 7.620 7.236 0.384 25827 2285 1 6 . 1 1 33 33 LYS N N 33 125.955 125.955 124.076 1.879 25827 2286 1 6 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.308 -0.254 25827 2287 1 6 . 1 1 33 33 LYS C C 33 176.698 176.698 177.400 -0.702 25827 2288 1 6 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.796 1.186 25827 2289 1 6 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.918 -0.976 25827 2290 1 6 . 1 1 33 33 LYS H H 33 8.451 8.451 8.486 -0.035 25827 2291 1 6 . 1 1 34 34 GLY N N 34 110.541 110.541 108.328 2.213 25827 2292 1 6 . 1 1 34 34 GLY C C 34 173.381 173.381 173.613 -0.232 25827 2293 1 6 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.811 0.733 25827 2294 1 6 . 1 1 34 34 GLY H H 34 8.616 8.616 8.710 -0.094 25827 2295 1 6 . 1 1 35 35 ILE N N 35 119.258 119.258 116.379 2.879 25827 2296 1 6 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.521 -0.249 25827 2297 1 6 . 1 1 35 35 ILE C C 35 176.352 176.352 174.355 1.997 25827 2298 1 6 . 1 1 35 35 ILE CA C 35 58.608 58.608 60.895 -2.287 25827 2299 1 6 . 1 1 35 35 ILE CB C 35 35.029 35.029 39.005 -3.977 25827 2300 1 6 . 1 1 35 35 ILE H H 35 7.580 7.580 7.429 0.151 25827 2301 1 6 . 1 1 36 36 ILE N N 36 130.708 130.708 126.629 4.079 25827 2302 1 6 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.375 -0.294 25827 2303 1 6 . 1 1 36 36 ILE C C 36 176.298 176.298 176.819 -0.521 25827 2304 1 6 . 1 1 36 36 ILE CA C 36 61.791 61.791 61.819 -0.028 25827 2305 1 6 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.518 -0.366 25827 2306 1 6 . 1 1 36 36 ILE H H 36 9.244 9.244 8.824 0.420 25827 2307 1 6 . 1 1 37 37 SER N N 37 111.336 111.336 113.149 -1.813 25827 2308 1 6 . 1 1 37 37 SER HA H 37 4.613 4.613 4.822 -0.209 25827 2309 1 6 . 1 1 37 37 SER C C 37 171.809 171.809 172.202 -0.393 25827 2310 1 6 . 1 1 37 37 SER CA C 37 57.636 57.636 57.995 -0.359 25827 2311 1 6 . 1 1 37 37 SER CB C 37 64.729 64.729 66.846 -2.117 25827 2312 1 6 . 1 1 37 37 SER H H 37 8.002 8.002 8.122 -0.120 25827 2313 1 6 . 1 1 38 38 MET N N 38 123.742 123.742 121.861 1.881 25827 2314 1 6 . 1 1 38 38 MET HA H 38 5.006 5.006 5.092 -0.086 25827 2315 1 6 . 1 1 38 38 MET C C 38 172.755 172.755 174.331 -1.576 25827 2316 1 6 . 1 1 38 38 MET CA C 38 54.719 54.719 55.154 -0.435 25827 2317 1 6 . 1 1 38 38 MET CB C 38 35.562 35.562 36.586 -1.024 25827 2318 1 6 . 1 1 38 38 MET H H 38 8.651 8.651 8.431 0.220 25827 2319 1 6 . 1 1 39 39 LYS N N 39 126.343 126.343 127.060 -0.717 25827 2320 1 6 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.724 0.230 25827 2321 1 6 . 1 1 39 39 LYS C C 39 175.872 175.872 174.076 1.796 25827 2322 1 6 . 1 1 39 39 LYS CA C 39 53.907 53.907 54.886 -0.979 25827 2323 1 6 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.659 -1.055 25827 2324 1 6 . 1 1 39 39 LYS H H 39 8.173 8.173 9.168 -0.995 25827 2325 1 6 . 1 1 40 40 VAL N N 40 131.217 131.217 126.823 4.394 25827 2326 1 6 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.218 0.049 25827 2327 1 6 . 1 1 40 40 VAL C C 40 174.327 174.327 175.277 -0.950 25827 2328 1 6 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.476 0.423 25827 2329 1 6 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.433 -0.816 25827 2330 1 6 . 1 1 40 40 VAL H H 40 10.339 10.339 8.591 1.748 25827 2331 1 6 . 1 1 41 41 SER N N 41 121.440 121.440 123.958 -2.518 25827 2332 1 6 . 1 1 41 41 SER HA H 41 4.878 4.878 4.710 0.168 25827 2333 1 6 . 1 1 41 41 SER C C 41 175.179 175.179 174.612 0.567 25827 2334 1 6 . 1 1 41 41 SER CA C 41 55.359 55.359 57.603 -2.244 25827 2335 1 6 . 1 1 41 41 SER CB C 41 63.381 63.381 62.901 0.480 25827 2336 1 6 . 1 1 41 41 SER H H 41 9.122 9.122 8.703 0.419 25827 2337 1 6 . 1 1 42 42 LEU N N 42 131.575 131.575 125.350 6.225 25827 2338 1 6 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.940 0.865 25827 2339 1 6 . 1 1 42 42 LEU C C 42 179.189 179.189 178.214 0.975 25827 2340 1 6 . 1 1 42 42 LEU CA C 42 58.262 58.262 58.197 0.065 25827 2341 1 6 . 1 1 42 42 LEU CB C 42 41.913 41.913 41.942 -0.029 25827 2342 1 6 . 1 1 42 42 LEU H H 42 9.139 9.139 8.480 0.659 25827 2343 1 6 . 1 1 43 43 GLU N N 43 117.524 117.524 117.843 -0.319 25827 2344 1 6 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.045 0.760 25827 2345 1 6 . 1 1 43 43 GLU C C 43 178.456 178.456 177.897 0.559 25827 2346 1 6 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.581 1.345 25827 2347 1 6 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.876 0.441 25827 2348 1 6 . 1 1 43 43 GLU H H 43 9.041 9.041 8.262 0.779 25827 2349 1 6 . 1 1 44 44 GLN N N 44 113.278 113.278 118.803 -5.525 25827 2350 1 6 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.218 0.118 25827 2351 1 6 . 1 1 44 44 GLN C C 44 176.765 176.765 177.156 -0.391 25827 2352 1 6 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.307 -0.763 25827 2353 1 6 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.307 0.294 25827 2354 1 6 . 1 1 44 44 GLN H H 44 7.651 7.651 8.091 -0.440 25827 2355 1 6 . 1 1 45 45 GLY N N 45 110.453 110.453 108.269 2.184 25827 2356 1 6 . 1 1 45 45 GLY C C 45 174.487 174.487 173.576 0.911 25827 2357 1 6 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.723 1.619 25827 2358 1 6 . 1 1 45 45 GLY H H 45 7.884 7.884 8.240 -0.356 25827 2359 1 6 . 1 1 46 46 SER N N 46 111.130 111.130 115.788 -4.658 25827 2360 1 6 . 1 1 46 46 SER HA H 46 5.412 5.412 5.628 -0.216 25827 2361 1 6 . 1 1 46 46 SER C C 46 171.503 171.503 172.383 -0.880 25827 2362 1 6 . 1 1 46 46 SER CA C 46 56.544 56.544 56.872 -0.328 25827 2363 1 6 . 1 1 46 46 SER CB C 46 66.327 66.327 66.994 -0.667 25827 2364 1 6 . 1 1 46 46 SER H H 46 7.807 7.807 7.486 0.321 25827 2365 1 6 . 1 1 47 47 ALA N N 47 120.663 120.663 123.896 -3.233 25827 2366 1 6 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.112 0.183 25827 2367 1 6 . 1 1 47 47 ALA C C 47 175.806 175.806 175.862 -0.056 25827 2368 1 6 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.375 -0.023 25827 2369 1 6 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.300 2.651 25827 2370 1 6 . 1 1 47 47 ALA H H 47 9.349 9.349 9.082 0.267 25827 2371 1 6 . 1 1 48 48 THR N N 48 117.344 117.344 120.692 -3.348 25827 2372 1 6 . 1 1 48 48 THR HA H 48 4.880 4.880 5.223 -0.343 25827 2373 1 6 . 1 1 48 48 THR C C 48 173.847 173.847 173.987 -0.140 25827 2374 1 6 . 1 1 48 48 THR CA C 48 62.163 62.163 61.857 0.306 25827 2375 1 6 . 1 1 48 48 THR CB C 48 69.698 69.698 69.817 -0.119 25827 2376 1 6 . 1 1 48 48 THR H H 48 8.634 8.634 8.984 -0.350 25827 2377 1 6 . 1 1 49 49 VAL N N 49 129.782 129.782 122.341 7.441 25827 2378 1 6 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.877 -0.019 25827 2379 1 6 . 1 1 49 49 VAL C C 49 173.208 173.208 173.838 -0.630 25827 2380 1 6 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.492 0.368 25827 2381 1 6 . 1 1 49 49 VAL CB C 49 34.852 34.852 34.067 0.785 25827 2382 1 6 . 1 1 49 49 VAL H H 49 9.400 9.400 9.057 0.343 25827 2383 1 6 . 1 1 50 50 LYS N N 50 128.107 128.107 124.706 3.401 25827 2384 1 6 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.641 0.283 25827 2385 1 6 . 1 1 50 50 LYS C C 50 176.671 176.671 175.719 0.952 25827 2386 1 6 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.751 0.301 25827 2387 1 6 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.559 -0.204 25827 2388 1 6 . 1 1 50 50 LYS H H 50 8.997 8.997 8.987 0.010 25827 2389 1 6 . 1 1 51 51 TYR N N 51 124.310 124.310 119.253 5.057 25827 2390 1 6 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.794 0.757 25827 2391 1 6 . 1 1 51 51 TYR C C 51 171.343 171.343 173.150 -1.807 25827 2392 1 6 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.428 -0.936 25827 2393 1 6 . 1 1 51 51 TYR CB C 51 41.452 41.452 40.102 1.350 25827 2394 1 6 . 1 1 51 51 TYR H H 51 9.478 9.478 8.172 1.306 25827 2395 1 6 . 1 1 52 52 VAL N N 52 122.068 122.068 120.540 1.528 25827 2396 1 6 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.375 0.345 25827 2397 1 6 . 1 1 52 52 VAL C C 52 176.045 176.045 175.691 0.354 25827 2398 1 6 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.258 -0.678 25827 2399 1 6 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.109 1.579 25827 2400 1 6 . 1 1 52 52 VAL H H 52 8.702 8.702 8.489 0.213 25827 2401 1 6 . 1 1 53 53 PRO HA H 53 4.367 4.367 5.105 -0.738 25827 2402 1 6 . 1 1 53 53 PRO C C 53 177.111 177.111 177.839 -0.728 25827 2403 1 6 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.732 -0.391 25827 2404 1 6 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.102 -0.162 25827 2405 1 6 . 1 1 54 54 SER N N 54 109.924 109.924 113.282 -3.358 25827 2406 1 6 . 1 1 54 54 SER HA H 54 4.345 4.345 4.358 -0.013 25827 2407 1 6 . 1 1 54 54 SER C C 54 174.580 174.580 175.575 -0.995 25827 2408 1 6 . 1 1 54 54 SER CA C 54 59.726 59.726 60.714 -0.988 25827 2409 1 6 . 1 1 54 54 SER CB C 54 62.635 62.635 62.899 -0.264 25827 2410 1 6 . 1 1 54 54 SER H H 54 7.898 7.898 8.396 -0.498 25827 2411 1 6 . 1 1 55 55 VAL N N 55 121.919 121.919 120.716 1.203 25827 2412 1 6 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.970 0.153 25827 2413 1 6 . 1 1 55 55 VAL C C 55 174.607 174.607 176.291 -1.684 25827 2414 1 6 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.446 -0.725 25827 2415 1 6 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.576 1.992 25827 2416 1 6 . 1 1 55 55 VAL H H 55 8.163 8.163 7.499 0.664 25827 2417 1 6 . 1 1 56 56 VAL N N 56 121.380 121.380 112.584 8.796 25827 2418 1 6 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.600 -0.029 25827 2419 1 6 . 1 1 56 56 VAL C C 56 170.477 170.477 173.961 -3.484 25827 2420 1 6 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.369 -0.536 25827 2421 1 6 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.557 0.863 25827 2422 1 6 . 1 1 56 56 VAL H H 56 8.254 8.254 7.953 0.301 25827 2423 1 6 . 1 1 57 57 CYS N N 57 121.201 121.201 119.835 1.366 25827 2424 1 6 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.907 0.198 25827 2425 1 6 . 1 1 57 57 CYS C C 57 176.591 176.591 176.301 0.290 25827 2426 1 6 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.332 -1.707 25827 2427 1 6 . 1 1 57 57 CYS CB C 57 30.878 30.878 29.890 0.988 25827 2428 1 6 . 1 1 57 57 CYS H H 57 7.885 7.885 8.451 -0.566 25827 2429 1 6 . 1 1 58 58 LEU N N 58 125.028 125.028 122.702 2.326 25827 2430 1 6 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.319 -0.691 25827 2431 1 6 . 1 1 58 58 LEU C C 58 179.335 179.335 179.181 0.154 25827 2432 1 6 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.960 -0.555 25827 2433 1 6 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.717 -0.409 25827 2434 1 6 . 1 1 58 58 LEU H H 58 8.555 8.555 8.748 -0.193 25827 2435 1 6 . 1 1 59 59 GLN N N 59 120.812 120.812 117.228 3.584 25827 2436 1 6 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.918 0.051 25827 2437 1 6 . 1 1 59 59 GLN C C 59 178.629 178.629 178.128 0.501 25827 2438 1 6 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.777 0.976 25827 2439 1 6 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.959 -0.071 25827 2440 1 6 . 1 1 59 59 GLN H H 59 9.081 9.081 8.611 0.470 25827 2441 1 6 . 1 1 60 60 GLN N N 60 120.513 120.513 119.791 0.722 25827 2442 1 6 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.260 -0.099 25827 2443 1 6 . 1 1 60 60 GLN C C 60 179.002 179.002 178.274 0.728 25827 2444 1 6 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.788 0.098 25827 2445 1 6 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.321 0.428 25827 2446 1 6 . 1 1 60 60 GLN H H 60 7.793 7.793 7.674 0.119 25827 2447 1 6 . 1 1 61 61 VAL N N 61 119.886 119.886 116.337 3.549 25827 2448 1 6 . 1 1 61 61 VAL HA H 61 3.294 3.294 4.500 -1.206 25827 2449 1 6 . 1 1 61 61 VAL C C 61 177.564 177.564 177.789 -0.225 25827 2450 1 6 . 1 1 61 61 VAL CA C 61 67.104 67.104 63.907 3.197 25827 2451 1 6 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.017 0.216 25827 2452 1 6 . 1 1 61 61 VAL H H 61 7.359 7.359 7.459 -0.100 25827 2453 1 6 . 1 1 62 62 CYS N N 62 116.059 116.059 119.740 -3.681 25827 2454 1 6 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.034 -0.230 25827 2455 1 6 . 1 1 62 62 CYS C C 62 177.630 177.630 176.651 0.979 25827 2456 1 6 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.339 0.328 25827 2457 1 6 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.680 -0.167 25827 2458 1 6 . 1 1 62 62 CYS H H 62 8.034 8.034 7.494 0.540 25827 2459 1 6 . 1 1 63 63 HIS N N 63 121.440 121.440 118.761 2.679 25827 2460 1 6 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.229 0.194 25827 2461 1 6 . 1 1 63 63 HIS C C 63 178.097 178.097 177.861 0.236 25827 2462 1 6 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.321 -0.981 25827 2463 1 6 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.296 1.085 25827 2464 1 6 . 1 1 63 63 HIS H H 63 8.430 8.430 7.664 0.766 25827 2465 1 6 . 1 1 64 64 GLN N N 64 118.839 118.839 118.624 0.215 25827 2466 1 6 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.132 -0.105 25827 2467 1 6 . 1 1 64 64 GLN C C 64 178.536 178.536 178.527 0.009 25827 2468 1 6 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.902 0.438 25827 2469 1 6 . 1 1 64 64 GLN CB C 64 28.110 28.110 27.956 0.154 25827 2470 1 6 . 1 1 64 64 GLN H H 64 8.102 8.102 7.873 0.229 25827 2471 1 6 . 1 1 65 65 ILE N N 65 119.228 119.228 120.661 -1.433 25827 2472 1 6 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.868 -0.183 25827 2473 1 6 . 1 1 65 65 ILE C C 65 178.656 178.656 177.434 1.222 25827 2474 1 6 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.772 2.280 25827 2475 1 6 . 1 1 65 65 ILE CB C 65 38.365 38.365 37.969 0.396 25827 2476 1 6 . 1 1 65 65 ILE H H 65 7.858 7.858 7.417 0.441 25827 2477 1 6 . 1 1 66 66 GLY N N 66 109.453 109.453 107.694 1.759 25827 2478 1 6 . 1 1 66 66 GLY C C 66 178.643 178.643 176.340 2.303 25827 2479 1 6 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.337 -0.235 25827 2480 1 6 . 1 1 66 66 GLY H H 66 8.379 8.379 8.498 -0.119 25827 2481 1 6 . 1 1 67 67 ASP N N 67 123.114 123.114 121.868 1.246 25827 2482 1 6 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.443 0.021 25827 2483 1 6 . 1 1 67 67 ASP C C 67 177.497 177.497 177.936 -0.439 25827 2484 1 6 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.947 -0.390 25827 2485 1 6 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.987 0.110 25827 2486 1 6 . 1 1 67 67 ASP H H 67 8.091 8.091 8.324 -0.233 25827 2487 1 6 . 1 1 68 68 MET N N 68 115.939 115.939 116.918 -0.979 25827 2488 1 6 . 1 1 68 68 MET HA H 68 4.297 4.297 4.503 -0.205 25827 2489 1 6 . 1 1 68 68 MET C C 68 175.739 175.739 176.857 -1.118 25827 2490 1 6 . 1 1 68 68 MET CA C 68 56.490 56.490 55.181 1.309 25827 2491 1 6 . 1 1 68 68 MET CB C 68 34.355 34.355 32.431 1.924 25827 2492 1 6 . 1 1 68 68 MET H H 68 7.576 7.576 7.583 -0.007 25827 2493 1 6 . 1 1 69 69 GLY N N 69 104.775 104.775 107.408 -2.633 25827 2494 1 6 . 1 1 69 69 GLY C C 69 173.328 173.328 173.839 -0.511 25827 2495 1 6 . 1 1 69 69 GLY CA C 69 44.785 44.785 45.062 -0.277 25827 2496 1 6 . 1 1 69 69 GLY H H 69 7.880 7.880 7.963 -0.083 25827 2497 1 6 . 1 1 70 70 PHE N N 70 118.809 118.809 120.014 -1.205 25827 2498 1 6 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.721 0.191 25827 2499 1 6 . 1 1 70 70 PHE C C 70 173.768 173.768 174.321 -0.553 25827 2500 1 6 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.405 -1.247 25827 2501 1 6 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.409 -0.773 25827 2502 1 6 . 1 1 70 70 PHE H H 70 6.905 6.905 7.655 -0.750 25827 2503 1 6 . 1 1 71 71 GLU N N 71 119.497 119.497 120.221 -0.724 25827 2504 1 6 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.768 -0.187 25827 2505 1 6 . 1 1 71 71 GLU C C 71 174.993 174.993 174.950 0.043 25827 2506 1 6 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.258 0.954 25827 2507 1 6 . 1 1 71 71 GLU CB C 71 31.375 31.375 33.149 -1.774 25827 2508 1 6 . 1 1 71 71 GLU H H 71 8.081 8.081 8.272 -0.191 25827 2509 1 6 . 1 1 72 72 ALA N N 72 129.662 129.662 124.620 5.042 25827 2510 1 6 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.382 0.453 25827 2511 1 6 . 1 1 72 72 ALA C C 72 176.179 176.179 175.826 0.353 25827 2512 1 6 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.826 -0.834 25827 2513 1 6 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.278 0.686 25827 2514 1 6 . 1 1 72 72 ALA H H 72 8.925 8.925 8.341 0.584 25827 2515 1 6 . 1 1 73 73 SER N N 73 114.042 114.042 115.874 -1.832 25827 2516 1 6 . 1 1 73 73 SER HA H 73 4.716 4.716 4.861 -0.145 25827 2517 1 6 . 1 1 73 73 SER C C 73 172.675 172.675 173.664 -0.989 25827 2518 1 6 . 1 1 73 73 SER CA C 73 57.156 57.156 56.076 1.080 25827 2519 1 6 . 1 1 73 73 SER CB C 73 65.581 65.581 65.215 0.366 25827 2520 1 6 . 1 1 73 73 SER H H 73 8.794 8.794 8.906 -0.112 25827 2521 1 6 . 1 1 74 74 ILE N N 74 122.487 122.487 127.510 -5.023 25827 2522 1 6 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.369 -0.393 25827 2523 1 6 . 1 1 74 74 ILE C C 74 176.045 176.045 175.759 0.286 25827 2524 1 6 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.937 0.639 25827 2525 1 6 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.248 0.223 25827 2526 1 6 . 1 1 74 74 ILE H H 74 8.813 8.813 8.721 0.092 25827 2527 1 6 . 1 1 75 75 ALA N N 75 131.516 131.516 130.298 1.218 25827 2528 1 6 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.714 -0.250 25827 2529 1 6 . 1 1 75 75 ALA C C 75 176.045 176.045 175.035 1.010 25827 2530 1 6 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.073 1.156 25827 2531 1 6 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.341 -2.499 25827 2532 1 6 . 1 1 75 75 ALA H H 75 8.400 8.400 8.986 -0.586 25827 2533 1 7 . 1 1 2 2 GLY N N 2 109.659 109.659 107.237 2.422 25827 2534 1 7 . 1 1 2 2 GLY C C 2 174.061 174.061 174.028 0.033 25827 2535 1 7 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.686 0.965 25827 2536 1 7 . 1 1 2 2 GLY H H 2 8.539 8.539 8.388 0.151 25827 2537 1 7 . 1 1 3 3 HIS N N 3 120.603 120.603 117.720 2.883 25827 2538 1 7 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.383 0.026 25827 2539 1 7 . 1 1 3 3 HIS C C 3 176.072 176.072 174.499 1.573 25827 2540 1 7 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.740 0.271 25827 2541 1 7 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.424 2.938 25827 2542 1 7 . 1 1 3 3 HIS H H 3 8.030 8.030 8.112 -0.082 25827 2543 1 7 . 1 1 4 4 MET N N 4 124.310 124.310 122.345 1.965 25827 2544 1 7 . 1 1 4 4 MET C C 4 176.179 176.179 175.985 0.194 25827 2545 1 7 . 1 1 4 4 MET CA C 4 61.071 61.071 54.677 6.394 25827 2546 1 7 . 1 1 4 4 MET CB C 4 38.720 38.720 33.791 4.929 25827 2547 1 7 . 1 1 4 4 MET H H 4 8.410 8.410 8.429 -0.019 25827 2548 1 7 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.744 -0.448 25827 2549 1 7 . 1 1 5 5 GLN C C 5 174.687 174.687 174.902 -0.215 25827 2550 1 7 . 1 1 5 5 GLN CA C 5 56.218 56.218 54.690 1.528 25827 2551 1 7 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.639 -0.078 25827 2552 1 7 . 1 1 6 6 VAL N N 6 120.095 120.095 118.216 1.879 25827 2553 1 7 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.583 -0.236 25827 2554 1 7 . 1 1 6 6 VAL C C 6 174.807 174.807 174.428 0.379 25827 2555 1 7 . 1 1 6 6 VAL CA C 6 61.418 61.418 59.309 2.109 25827 2556 1 7 . 1 1 6 6 VAL CB C 6 34.320 34.320 33.534 0.786 25827 2557 1 7 . 1 1 6 6 VAL H H 6 7.942 7.942 8.472 -0.530 25827 2558 1 7 . 1 1 7 7 ALA N N 7 130.230 130.230 127.001 3.229 25827 2559 1 7 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.799 -0.164 25827 2560 1 7 . 1 1 7 7 ALA C C 7 174.913 174.913 175.668 -0.755 25827 2561 1 7 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.900 -0.216 25827 2562 1 7 . 1 1 7 7 ALA CB C 7 21.637 21.637 20.435 1.202 25827 2563 1 7 . 1 1 7 7 ALA H H 7 8.952 8.952 8.567 0.385 25827 2564 1 7 . 1 1 8 8 THR N N 8 114.219 114.219 114.668 -0.449 25827 2565 1 7 . 1 1 8 8 THR HA H 8 5.594 5.594 5.428 0.166 25827 2566 1 7 . 1 1 8 8 THR C C 8 174.846 174.846 174.216 0.630 25827 2567 1 7 . 1 1 8 8 THR CA C 8 61.524 61.524 59.928 1.595 25827 2568 1 7 . 1 1 8 8 THR CB C 8 71.228 71.228 71.326 -0.098 25827 2569 1 7 . 1 1 8 8 THR H H 8 8.211 8.211 8.342 -0.131 25827 2570 1 7 . 1 1 9 9 SER N N 9 121.231 121.231 118.476 2.755 25827 2571 1 7 . 1 1 9 9 SER HA H 9 5.049 5.049 4.791 0.258 25827 2572 1 7 . 1 1 9 9 SER C C 9 172.023 172.023 172.989 -0.966 25827 2573 1 7 . 1 1 9 9 SER CA C 9 57.822 57.822 57.663 0.159 25827 2574 1 7 . 1 1 9 9 SER CB C 9 67.178 67.178 65.512 1.666 25827 2575 1 7 . 1 1 9 9 SER H H 9 9.329 9.329 8.335 0.994 25827 2576 1 7 . 1 1 10 10 THR N N 10 119.646 119.646 117.808 1.838 25827 2577 1 7 . 1 1 10 10 THR HA H 10 5.423 5.423 5.576 -0.153 25827 2578 1 7 . 1 1 10 10 THR C C 10 173.754 173.754 173.242 0.512 25827 2579 1 7 . 1 1 10 10 THR CA C 10 61.591 61.591 60.114 1.477 25827 2580 1 7 . 1 1 10 10 THR CB C 10 70.230 70.230 70.549 -0.319 25827 2581 1 7 . 1 1 10 10 THR H H 10 8.790 8.790 8.763 0.027 25827 2582 1 7 . 1 1 11 11 VAL N N 11 122.726 122.726 123.516 -0.790 25827 2583 1 7 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.157 -0.469 25827 2584 1 7 . 1 1 11 11 VAL C C 11 174.940 174.940 173.550 1.390 25827 2585 1 7 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.433 0.054 25827 2586 1 7 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.504 -0.297 25827 2587 1 7 . 1 1 11 11 VAL H H 11 8.973 8.973 9.073 -0.100 25827 2588 1 7 . 1 1 12 12 ARG N N 12 127.240 127.240 127.875 -0.635 25827 2589 1 7 . 1 1 12 12 ARG HA H 12 4.551 4.551 5.214 -0.663 25827 2590 1 7 . 1 1 12 12 ARG C C 12 175.632 175.632 175.485 0.147 25827 2591 1 7 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.203 1.528 25827 2592 1 7 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.634 -1.614 25827 2593 1 7 . 1 1 12 12 ARG H H 12 9.274 9.274 9.229 0.045 25827 2594 1 7 . 1 1 13 13 ILE N N 13 123.234 123.234 117.424 5.810 25827 2595 1 7 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.730 0.011 25827 2596 1 7 . 1 1 13 13 ILE C C 13 174.540 174.540 174.415 0.125 25827 2597 1 7 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.698 1.280 25827 2598 1 7 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.533 0.953 25827 2599 1 7 . 1 1 13 13 ILE H H 13 8.210 8.210 8.324 -0.114 25827 2600 1 7 . 1 1 14 14 LEU N N 14 128.287 128.287 127.328 0.959 25827 2601 1 7 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.822 -0.057 25827 2602 1 7 . 1 1 14 14 LEU C C 14 177.391 177.391 174.959 2.432 25827 2603 1 7 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.273 -0.166 25827 2604 1 7 . 1 1 14 14 LEU CB C 14 43.616 43.616 45.333 -1.717 25827 2605 1 7 . 1 1 14 14 LEU H H 14 9.146 9.146 8.876 0.270 25827 2606 1 7 . 1 1 15 15 GLY N N 15 107.835 107.835 112.194 -4.359 25827 2607 1 7 . 1 1 15 15 GLY C C 15 175.726 175.726 174.718 1.008 25827 2608 1 7 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.794 -0.450 25827 2609 1 7 . 1 1 15 15 GLY H H 15 8.515 8.515 8.275 0.240 25827 2610 1 7 . 1 1 16 16 MET N N 16 120.244 120.244 119.206 1.038 25827 2611 1 7 . 1 1 16 16 MET HA H 16 4.699 4.699 4.465 0.234 25827 2612 1 7 . 1 1 16 16 MET C C 16 177.404 177.404 177.058 0.346 25827 2613 1 7 . 1 1 16 16 MET CA C 16 57.116 57.116 56.989 0.128 25827 2614 1 7 . 1 1 16 16 MET CB C 16 34.852 34.852 32.277 2.575 25827 2615 1 7 . 1 1 16 16 MET H H 16 8.925 8.925 8.620 0.305 25827 2616 1 7 . 1 1 17 17 THR C C 17 174.700 174.700 174.539 0.161 25827 2617 1 7 . 1 1 17 17 THR CA C 17 62.736 62.736 61.148 1.589 25827 2618 1 7 . 1 1 17 17 THR CB C 17 64.427 64.427 67.644 -3.217 25827 2619 1 7 . 1 1 18 18 CYS N N 18 120.513 120.513 123.740 -3.227 25827 2620 1 7 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.100 0.323 25827 2621 1 7 . 1 1 18 18 CYS C C 18 177.431 177.431 176.436 0.995 25827 2622 1 7 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.043 -5.536 25827 2623 1 7 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.428 14.836 25827 2624 1 7 . 1 1 18 18 CYS H H 18 8.691 8.691 8.336 0.355 25827 2625 1 7 . 1 1 19 19 GLN N N 19 121.231 121.231 119.846 1.385 25827 2626 1 7 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.901 0.437 25827 2627 1 7 . 1 1 19 19 GLN C C 19 175.832 175.832 177.757 -1.925 25827 2628 1 7 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.539 -2.956 25827 2629 1 7 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.203 2.475 25827 2630 1 7 . 1 1 19 19 GLN H H 19 8.342 8.342 8.572 -0.230 25827 2631 1 7 . 1 1 20 20 SER N N 20 116.089 116.089 115.026 1.063 25827 2632 1 7 . 1 1 20 20 SER HA H 20 4.381 4.381 4.175 0.206 25827 2633 1 7 . 1 1 20 20 SER C C 20 177.004 177.004 176.503 0.501 25827 2634 1 7 . 1 1 20 20 SER H H 20 7.953 7.953 8.344 -0.391 25827 2635 1 7 . 1 1 21 21 CYS N N 21 125.147 125.147 118.902 6.245 25827 2636 1 7 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.975 0.107 25827 2637 1 7 . 1 1 21 21 CYS C C 21 177.004 177.004 176.670 0.334 25827 2638 1 7 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.517 2.645 25827 2639 1 7 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.301 3.553 25827 2640 1 7 . 1 1 21 21 CYS H H 21 7.854 7.854 7.467 0.387 25827 2641 1 7 . 1 1 22 22 VAL N N 22 118.062 118.062 122.873 -4.811 25827 2642 1 7 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.547 0.804 25827 2643 1 7 . 1 1 22 22 VAL C C 22 177.178 177.178 177.980 -0.802 25827 2644 1 7 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.348 -0.803 25827 2645 1 7 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.212 0.518 25827 2646 1 7 . 1 1 22 22 VAL H H 22 6.834 6.834 7.621 -0.787 25827 2647 1 7 . 1 1 23 23 LYS N N 23 117.823 117.823 120.101 -2.278 25827 2648 1 7 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.870 0.212 25827 2649 1 7 . 1 1 23 23 LYS C C 23 178.456 178.456 178.757 -0.301 25827 2650 1 7 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.030 -1.236 25827 2651 1 7 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.176 0.263 25827 2652 1 7 . 1 1 23 23 LYS H H 23 7.936 7.936 8.142 -0.206 25827 2653 1 7 . 1 1 24 24 SER N N 24 113.895 113.895 115.535 -1.640 25827 2654 1 7 . 1 1 24 24 SER HA H 24 4.068 4.068 4.178 -0.110 25827 2655 1 7 . 1 1 24 24 SER C C 24 177.364 177.364 176.921 0.443 25827 2656 1 7 . 1 1 24 24 SER CA C 24 62.017 62.017 61.844 0.173 25827 2657 1 7 . 1 1 24 24 SER CB C 24 62.600 62.600 62.807 -0.207 25827 2658 1 7 . 1 1 24 24 SER H H 24 8.062 8.062 7.907 0.155 25827 2659 1 7 . 1 1 25 25 ILE N N 25 122.845 122.845 122.146 0.699 25827 2660 1 7 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.821 -0.279 25827 2661 1 7 . 1 1 25 25 ILE C C 25 177.537 177.537 176.742 0.795 25827 2662 1 7 . 1 1 25 25 ILE CA C 25 66.012 66.012 62.281 3.731 25827 2663 1 7 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.938 0.853 25827 2664 1 7 . 1 1 25 25 ILE H H 25 7.888 7.888 8.125 -0.237 25827 2665 1 7 . 1 1 26 26 GLU N N 26 118.630 118.630 121.865 -3.235 25827 2666 1 7 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.916 -0.288 25827 2667 1 7 . 1 1 26 26 GLU C C 26 180.041 180.041 178.286 1.755 25827 2668 1 7 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.751 1.427 25827 2669 1 7 . 1 1 26 26 GLU CB C 26 29.601 29.601 28.990 0.611 25827 2670 1 7 . 1 1 26 26 GLU H H 26 8.519 8.519 8.260 0.259 25827 2671 1 7 . 1 1 27 27 ASP N N 27 119.676 119.676 118.849 0.827 25827 2672 1 7 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.340 -0.002 25827 2673 1 7 . 1 1 27 27 ASP C C 27 178.070 178.070 178.518 -0.448 25827 2674 1 7 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.423 0.105 25827 2675 1 7 . 1 1 27 27 ASP CB C 27 40.423 40.423 41.013 -0.590 25827 2676 1 7 . 1 1 27 27 ASP H H 27 8.973 8.973 7.973 1.000 25827 2677 1 7 . 1 1 28 28 ARG N N 28 118.092 118.092 119.923 -1.831 25827 2678 1 7 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.159 0.022 25827 2679 1 7 . 1 1 28 28 ARG C C 28 179.296 179.296 178.753 0.543 25827 2680 1 7 . 1 1 28 28 ARG CA C 28 58.595 58.595 57.981 0.614 25827 2681 1 7 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.012 0.298 25827 2682 1 7 . 1 1 28 28 ARG H H 28 7.630 7.630 7.477 0.153 25827 2683 1 7 . 1 1 29 29 ILE N N 29 116.597 116.597 119.358 -2.761 25827 2684 1 7 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.838 0.109 25827 2685 1 7 . 1 1 29 29 ILE C C 29 177.777 177.777 177.306 0.471 25827 2686 1 7 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.037 -3.352 25827 2687 1 7 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.923 -2.645 25827 2688 1 7 . 1 1 29 29 ILE H H 29 8.427 8.427 8.543 -0.116 25827 2689 1 7 . 1 1 30 30 SER N N 30 113.160 113.160 114.916 -1.756 25827 2690 1 7 . 1 1 30 30 SER HA H 30 4.049 4.049 4.194 -0.145 25827 2691 1 7 . 1 1 30 30 SER C C 30 173.941 173.941 175.560 -1.619 25827 2692 1 7 . 1 1 30 30 SER CA C 30 62.110 62.110 61.539 0.571 25827 2693 1 7 . 1 1 30 30 SER CB C 30 62.884 62.884 63.263 -0.379 25827 2694 1 7 . 1 1 30 30 SER H H 30 8.236 8.236 7.845 0.391 25827 2695 1 7 . 1 1 31 31 ASN N N 31 115.520 115.520 117.384 -1.864 25827 2696 1 7 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.585 0.189 25827 2697 1 7 . 1 1 31 31 ASN C C 31 175.046 175.046 175.287 -0.241 25827 2698 1 7 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.204 -0.657 25827 2699 1 7 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.897 1.100 25827 2700 1 7 . 1 1 31 31 ASN H H 31 6.919 6.919 7.705 -0.786 25827 2701 1 7 . 1 1 32 32 LEU N N 32 122.666 122.666 121.087 1.579 25827 2702 1 7 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.253 0.083 25827 2703 1 7 . 1 1 32 32 LEU C C 32 177.071 177.071 176.386 0.685 25827 2704 1 7 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.973 -0.134 25827 2705 1 7 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.113 -0.306 25827 2706 1 7 . 1 1 32 32 LEU H H 32 7.620 7.620 7.043 0.577 25827 2707 1 7 . 1 1 33 33 LYS N N 33 125.955 125.955 123.433 2.522 25827 2708 1 7 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.308 -0.254 25827 2709 1 7 . 1 1 33 33 LYS C C 33 176.698 176.698 177.418 -0.720 25827 2710 1 7 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.844 1.138 25827 2711 1 7 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.873 -0.931 25827 2712 1 7 . 1 1 33 33 LYS H H 33 8.451 8.451 8.475 -0.024 25827 2713 1 7 . 1 1 34 34 GLY N N 34 110.541 110.541 108.783 1.758 25827 2714 1 7 . 1 1 34 34 GLY C C 34 173.381 173.381 173.761 -0.380 25827 2715 1 7 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.858 0.686 25827 2716 1 7 . 1 1 34 34 GLY H H 34 8.616 8.616 8.759 -0.143 25827 2717 1 7 . 1 1 35 35 ILE N N 35 119.258 119.258 116.282 2.976 25827 2718 1 7 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.497 -0.225 25827 2719 1 7 . 1 1 35 35 ILE C C 35 176.352 176.352 174.624 1.728 25827 2720 1 7 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.072 -2.464 25827 2721 1 7 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.713 -3.684 25827 2722 1 7 . 1 1 35 35 ILE H H 35 7.580 7.580 7.417 0.163 25827 2723 1 7 . 1 1 36 36 ILE N N 36 130.708 130.708 126.864 3.844 25827 2724 1 7 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.316 -0.235 25827 2725 1 7 . 1 1 36 36 ILE C C 36 176.298 176.298 176.686 -0.388 25827 2726 1 7 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.856 -1.065 25827 2727 1 7 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.229 -1.077 25827 2728 1 7 . 1 1 36 36 ILE H H 36 9.244 9.244 8.777 0.467 25827 2729 1 7 . 1 1 37 37 SER N N 37 111.336 111.336 112.544 -1.208 25827 2730 1 7 . 1 1 37 37 SER HA H 37 4.613 4.613 4.696 -0.083 25827 2731 1 7 . 1 1 37 37 SER C C 37 171.809 171.809 172.106 -0.297 25827 2732 1 7 . 1 1 37 37 SER CA C 37 57.636 57.636 58.097 -0.461 25827 2733 1 7 . 1 1 37 37 SER CB C 37 64.729 64.729 65.243 -0.514 25827 2734 1 7 . 1 1 37 37 SER H H 37 8.002 8.002 7.801 0.201 25827 2735 1 7 . 1 1 38 38 MET N N 38 123.742 123.742 124.339 -0.597 25827 2736 1 7 . 1 1 38 38 MET HA H 38 5.006 5.006 5.189 -0.183 25827 2737 1 7 . 1 1 38 38 MET C C 38 172.755 172.755 174.211 -1.456 25827 2738 1 7 . 1 1 38 38 MET CA C 38 54.719 54.719 55.066 -0.347 25827 2739 1 7 . 1 1 38 38 MET CB C 38 35.562 35.562 36.216 -0.654 25827 2740 1 7 . 1 1 38 38 MET H H 38 8.651 8.651 8.405 0.246 25827 2741 1 7 . 1 1 39 39 LYS N N 39 126.343 126.343 127.593 -1.250 25827 2742 1 7 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.722 0.232 25827 2743 1 7 . 1 1 39 39 LYS C C 39 175.872 175.872 174.138 1.734 25827 2744 1 7 . 1 1 39 39 LYS CA C 39 53.907 53.907 54.981 -1.074 25827 2745 1 7 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.297 -0.693 25827 2746 1 7 . 1 1 39 39 LYS H H 39 8.173 8.173 8.940 -0.767 25827 2747 1 7 . 1 1 40 40 VAL N N 40 131.217 131.217 126.738 4.479 25827 2748 1 7 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.267 -0.000 25827 2749 1 7 . 1 1 40 40 VAL C C 40 174.327 174.327 175.162 -0.835 25827 2750 1 7 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.781 0.118 25827 2751 1 7 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.240 -0.623 25827 2752 1 7 . 1 1 40 40 VAL H H 40 10.339 10.339 8.678 1.661 25827 2753 1 7 . 1 1 41 41 SER N N 41 121.440 121.440 123.917 -2.477 25827 2754 1 7 . 1 1 41 41 SER HA H 41 4.878 4.878 4.757 0.121 25827 2755 1 7 . 1 1 41 41 SER C C 41 175.179 175.179 174.885 0.294 25827 2756 1 7 . 1 1 41 41 SER CA C 41 55.359 55.359 57.216 -1.857 25827 2757 1 7 . 1 1 41 41 SER CB C 41 63.381 63.381 63.549 -0.168 25827 2758 1 7 . 1 1 41 41 SER H H 41 9.122 9.122 8.670 0.452 25827 2759 1 7 . 1 1 42 42 LEU N N 42 131.575 131.575 127.438 4.137 25827 2760 1 7 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.892 0.913 25827 2761 1 7 . 1 1 42 42 LEU C C 42 179.189 179.189 178.779 0.410 25827 2762 1 7 . 1 1 42 42 LEU CA C 42 58.262 58.262 58.079 0.183 25827 2763 1 7 . 1 1 42 42 LEU CB C 42 41.913 41.913 41.998 -0.085 25827 2764 1 7 . 1 1 42 42 LEU H H 42 9.139 9.139 8.701 0.438 25827 2765 1 7 . 1 1 43 43 GLU N N 43 117.524 117.524 118.358 -0.834 25827 2766 1 7 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.026 0.779 25827 2767 1 7 . 1 1 43 43 GLU C C 43 178.456 178.456 178.044 0.412 25827 2768 1 7 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.714 1.212 25827 2769 1 7 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.866 0.451 25827 2770 1 7 . 1 1 43 43 GLU H H 43 9.041 9.041 8.418 0.623 25827 2771 1 7 . 1 1 44 44 GLN N N 44 113.278 113.278 117.225 -3.947 25827 2772 1 7 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.290 0.046 25827 2773 1 7 . 1 1 44 44 GLN C C 44 176.765 176.765 176.916 -0.151 25827 2774 1 7 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.137 -0.592 25827 2775 1 7 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.250 0.351 25827 2776 1 7 . 1 1 44 44 GLN H H 44 7.651 7.651 8.109 -0.458 25827 2777 1 7 . 1 1 45 45 GLY N N 45 110.453 110.453 107.788 2.665 25827 2778 1 7 . 1 1 45 45 GLY C C 45 174.487 174.487 173.528 0.959 25827 2779 1 7 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.342 2.000 25827 2780 1 7 . 1 1 45 45 GLY H H 45 7.884 7.884 8.215 -0.331 25827 2781 1 7 . 1 1 46 46 SER N N 46 111.130 111.130 113.516 -2.386 25827 2782 1 7 . 1 1 46 46 SER HA H 46 5.412 5.412 5.675 -0.263 25827 2783 1 7 . 1 1 46 46 SER C C 46 171.503 171.503 172.427 -0.924 25827 2784 1 7 . 1 1 46 46 SER CA C 46 56.544 56.544 56.646 -0.102 25827 2785 1 7 . 1 1 46 46 SER CB C 46 66.327 66.327 66.438 -0.111 25827 2786 1 7 . 1 1 46 46 SER H H 46 7.807 7.807 7.605 0.202 25827 2787 1 7 . 1 1 47 47 ALA N N 47 120.663 120.663 121.895 -1.232 25827 2788 1 7 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.218 0.077 25827 2789 1 7 . 1 1 47 47 ALA C C 47 175.806 175.806 175.867 -0.061 25827 2790 1 7 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.549 -0.197 25827 2791 1 7 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.522 2.429 25827 2792 1 7 . 1 1 47 47 ALA H H 47 9.349 9.349 9.078 0.271 25827 2793 1 7 . 1 1 48 48 THR N N 48 117.344 117.344 118.128 -0.784 25827 2794 1 7 . 1 1 48 48 THR HA H 48 4.880 4.880 5.242 -0.362 25827 2795 1 7 . 1 1 48 48 THR C C 48 173.847 173.847 174.106 -0.259 25827 2796 1 7 . 1 1 48 48 THR CA C 48 62.163 62.163 61.648 0.514 25827 2797 1 7 . 1 1 48 48 THR CB C 48 69.698 69.698 70.197 -0.499 25827 2798 1 7 . 1 1 48 48 THR H H 48 8.634 8.634 8.922 -0.288 25827 2799 1 7 . 1 1 49 49 VAL N N 49 129.782 129.782 120.680 9.102 25827 2800 1 7 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.824 0.034 25827 2801 1 7 . 1 1 49 49 VAL C C 49 173.208 173.208 173.684 -0.476 25827 2802 1 7 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.376 0.484 25827 2803 1 7 . 1 1 49 49 VAL CB C 49 34.852 34.852 34.621 0.231 25827 2804 1 7 . 1 1 49 49 VAL H H 49 9.400 9.400 9.053 0.347 25827 2805 1 7 . 1 1 50 50 LYS N N 50 128.107 128.107 125.022 3.085 25827 2806 1 7 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.180 0.744 25827 2807 1 7 . 1 1 50 50 LYS C C 50 176.671 176.671 174.761 1.910 25827 2808 1 7 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.268 -0.216 25827 2809 1 7 . 1 1 50 50 LYS CB C 50 34.355 34.355 35.258 -0.902 25827 2810 1 7 . 1 1 50 50 LYS H H 50 8.997 8.997 8.405 0.592 25827 2811 1 7 . 1 1 51 51 TYR N N 51 124.310 124.310 121.529 2.781 25827 2812 1 7 . 1 1 51 51 TYR HA H 51 5.551 5.551 5.102 0.449 25827 2813 1 7 . 1 1 51 51 TYR C C 51 171.343 171.343 172.986 -1.643 25827 2814 1 7 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.327 -0.835 25827 2815 1 7 . 1 1 51 51 TYR CB C 51 41.452 41.452 40.697 0.755 25827 2816 1 7 . 1 1 51 51 TYR H H 51 9.478 9.478 8.285 1.193 25827 2817 1 7 . 1 1 52 52 VAL N N 52 122.068 122.068 120.869 1.199 25827 2818 1 7 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.498 0.222 25827 2819 1 7 . 1 1 52 52 VAL C C 52 176.045 176.045 175.606 0.439 25827 2820 1 7 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.007 -0.427 25827 2821 1 7 . 1 1 52 52 VAL CB C 52 32.688 32.688 32.117 0.571 25827 2822 1 7 . 1 1 52 52 VAL H H 52 8.702 8.702 8.709 -0.007 25827 2823 1 7 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.971 -0.604 25827 2824 1 7 . 1 1 53 53 PRO C C 53 177.111 177.111 178.191 -1.080 25827 2825 1 7 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.970 -0.629 25827 2826 1 7 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.068 -0.128 25827 2827 1 7 . 1 1 54 54 SER N N 54 109.924 109.924 113.750 -3.826 25827 2828 1 7 . 1 1 54 54 SER HA H 54 4.345 4.345 4.279 0.066 25827 2829 1 7 . 1 1 54 54 SER C C 54 174.580 174.580 175.989 -1.409 25827 2830 1 7 . 1 1 54 54 SER CA C 54 59.726 59.726 60.866 -1.140 25827 2831 1 7 . 1 1 54 54 SER CB C 54 62.635 62.635 63.083 -0.448 25827 2832 1 7 . 1 1 54 54 SER H H 54 7.898 7.898 8.415 -0.517 25827 2833 1 7 . 1 1 55 55 VAL N N 55 121.919 121.919 114.458 7.461 25827 2834 1 7 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.338 -0.215 25827 2835 1 7 . 1 1 55 55 VAL C C 55 174.607 174.607 175.515 -0.908 25827 2836 1 7 . 1 1 55 55 VAL CA C 55 63.721 63.721 62.632 1.089 25827 2837 1 7 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.051 1.517 25827 2838 1 7 . 1 1 55 55 VAL H H 55 8.163 8.163 7.515 0.648 25827 2839 1 7 . 1 1 56 56 VAL N N 56 121.380 121.380 121.533 -0.153 25827 2840 1 7 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.807 -0.236 25827 2841 1 7 . 1 1 56 56 VAL C C 56 170.477 170.477 175.173 -4.696 25827 2842 1 7 . 1 1 56 56 VAL CA C 56 59.833 59.833 59.957 -0.124 25827 2843 1 7 . 1 1 56 56 VAL CB C 56 35.420 35.420 33.787 1.633 25827 2844 1 7 . 1 1 56 56 VAL H H 56 8.254 8.254 8.059 0.195 25827 2845 1 7 . 1 1 57 57 CYS N N 57 121.201 121.201 124.523 -3.322 25827 2846 1 7 . 1 1 57 57 CYS HA H 57 5.104 5.104 5.044 0.060 25827 2847 1 7 . 1 1 57 57 CYS C C 57 176.591 176.591 176.069 0.522 25827 2848 1 7 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.157 -0.532 25827 2849 1 7 . 1 1 57 57 CYS CB C 57 30.878 30.878 30.216 0.662 25827 2850 1 7 . 1 1 57 57 CYS H H 57 7.885 7.885 8.810 -0.925 25827 2851 1 7 . 1 1 58 58 LEU N N 58 125.028 125.028 122.587 2.441 25827 2852 1 7 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.285 -0.657 25827 2853 1 7 . 1 1 58 58 LEU C C 58 179.335 179.335 179.365 -0.030 25827 2854 1 7 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.149 -0.744 25827 2855 1 7 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.672 -0.364 25827 2856 1 7 . 1 1 58 58 LEU H H 58 8.555 8.555 8.663 -0.108 25827 2857 1 7 . 1 1 59 59 GLN N N 59 120.812 120.812 117.998 2.814 25827 2858 1 7 . 1 1 59 59 GLN HA H 59 3.969 3.969 4.006 -0.037 25827 2859 1 7 . 1 1 59 59 GLN C C 59 178.629 178.629 178.621 0.008 25827 2860 1 7 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.237 0.516 25827 2861 1 7 . 1 1 59 59 GLN CB C 59 27.888 27.888 28.255 -0.367 25827 2862 1 7 . 1 1 59 59 GLN H H 59 9.081 9.081 8.702 0.379 25827 2863 1 7 . 1 1 60 60 GLN N N 60 120.513 120.513 119.250 1.263 25827 2864 1 7 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.021 0.140 25827 2865 1 7 . 1 1 60 60 GLN C C 60 179.002 179.002 178.380 0.622 25827 2866 1 7 . 1 1 60 60 GLN CA C 60 58.887 58.887 59.206 -0.319 25827 2867 1 7 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.751 -0.002 25827 2868 1 7 . 1 1 60 60 GLN H H 60 7.793 7.793 7.600 0.193 25827 2869 1 7 . 1 1 61 61 VAL N N 61 119.886 119.886 119.937 -0.051 25827 2870 1 7 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.973 -0.679 25827 2871 1 7 . 1 1 61 61 VAL C C 61 177.564 177.564 178.423 -0.859 25827 2872 1 7 . 1 1 61 61 VAL CA C 61 67.104 67.104 65.751 1.353 25827 2873 1 7 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.117 0.116 25827 2874 1 7 . 1 1 61 61 VAL H H 61 7.359 7.359 7.521 -0.162 25827 2875 1 7 . 1 1 62 62 CYS N N 62 116.059 116.059 119.266 -3.207 25827 2876 1 7 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.020 -0.216 25827 2877 1 7 . 1 1 62 62 CYS C C 62 177.630 177.630 176.314 1.316 25827 2878 1 7 . 1 1 62 62 CYS CA C 62 64.667 64.667 62.437 2.230 25827 2879 1 7 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.428 0.085 25827 2880 1 7 . 1 1 62 62 CYS H H 62 8.034 8.034 8.142 -0.108 25827 2881 1 7 . 1 1 63 63 HIS N N 63 121.440 121.440 119.953 1.487 25827 2882 1 7 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.176 0.247 25827 2883 1 7 . 1 1 63 63 HIS C C 63 178.097 178.097 177.580 0.517 25827 2884 1 7 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.781 -1.441 25827 2885 1 7 . 1 1 63 63 HIS CB C 63 30.381 30.381 30.058 0.324 25827 2886 1 7 . 1 1 63 63 HIS H H 63 8.430 8.430 8.460 -0.030 25827 2887 1 7 . 1 1 64 64 GLN N N 64 118.839 118.839 118.246 0.593 25827 2888 1 7 . 1 1 64 64 GLN HA H 64 4.027 4.027 3.932 0.095 25827 2889 1 7 . 1 1 64 64 GLN C C 64 178.536 178.536 178.664 -0.128 25827 2890 1 7 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.911 0.429 25827 2891 1 7 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.724 -0.614 25827 2892 1 7 . 1 1 64 64 GLN H H 64 8.102 8.102 8.230 -0.128 25827 2893 1 7 . 1 1 65 65 ILE N N 65 119.228 119.228 119.950 -0.722 25827 2894 1 7 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.900 -0.215 25827 2895 1 7 . 1 1 65 65 ILE C C 65 178.656 178.656 177.415 1.241 25827 2896 1 7 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.411 2.640 25827 2897 1 7 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.149 0.216 25827 2898 1 7 . 1 1 65 65 ILE H H 65 7.858 7.858 7.476 0.382 25827 2899 1 7 . 1 1 66 66 GLY N N 66 109.453 109.453 107.857 1.596 25827 2900 1 7 . 1 1 66 66 GLY C C 66 178.643 178.643 176.146 2.497 25827 2901 1 7 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.284 -0.182 25827 2902 1 7 . 1 1 66 66 GLY H H 66 8.379 8.379 8.494 -0.115 25827 2903 1 7 . 1 1 67 67 ASP N N 67 123.114 123.114 120.596 2.518 25827 2904 1 7 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.331 0.133 25827 2905 1 7 . 1 1 67 67 ASP C C 67 177.497 177.497 177.560 -0.063 25827 2906 1 7 . 1 1 67 67 ASP CA C 67 56.557 56.557 55.736 0.821 25827 2907 1 7 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.772 0.325 25827 2908 1 7 . 1 1 67 67 ASP H H 67 8.091 8.091 8.217 -0.127 25827 2909 1 7 . 1 1 68 68 MET N N 68 115.939 115.939 115.932 0.007 25827 2910 1 7 . 1 1 68 68 MET HA H 68 4.297 4.297 4.470 -0.173 25827 2911 1 7 . 1 1 68 68 MET C C 68 175.739 175.739 177.290 -1.551 25827 2912 1 7 . 1 1 68 68 MET CA C 68 56.490 56.490 55.032 1.458 25827 2913 1 7 . 1 1 68 68 MET CB C 68 34.355 34.355 32.886 1.469 25827 2914 1 7 . 1 1 68 68 MET H H 68 7.576 7.576 7.309 0.267 25827 2915 1 7 . 1 1 69 69 GLY N N 69 104.775 104.775 105.742 -0.967 25827 2916 1 7 . 1 1 69 69 GLY C C 69 173.328 173.328 174.000 -0.672 25827 2917 1 7 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.902 -0.117 25827 2918 1 7 . 1 1 69 69 GLY H H 69 7.880 7.880 7.945 -0.065 25827 2919 1 7 . 1 1 70 70 PHE N N 70 118.809 118.809 120.032 -1.223 25827 2920 1 7 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.722 0.190 25827 2921 1 7 . 1 1 70 70 PHE C C 70 173.768 173.768 174.341 -0.573 25827 2922 1 7 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.103 -0.945 25827 2923 1 7 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.336 -0.700 25827 2924 1 7 . 1 1 70 70 PHE H H 70 6.905 6.905 7.377 -0.472 25827 2925 1 7 . 1 1 71 71 GLU N N 71 119.497 119.497 122.231 -2.734 25827 2926 1 7 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.574 0.007 25827 2927 1 7 . 1 1 71 71 GLU C C 71 174.993 174.993 174.464 0.529 25827 2928 1 7 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.688 0.524 25827 2929 1 7 . 1 1 71 71 GLU CB C 71 31.375 31.375 32.352 -0.977 25827 2930 1 7 . 1 1 71 71 GLU H H 71 8.081 8.081 8.373 -0.292 25827 2931 1 7 . 1 1 72 72 ALA N N 72 129.662 129.662 127.674 1.988 25827 2932 1 7 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.192 0.643 25827 2933 1 7 . 1 1 72 72 ALA C C 72 176.179 176.179 176.189 -0.010 25827 2934 1 7 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.829 -0.837 25827 2935 1 7 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.117 0.847 25827 2936 1 7 . 1 1 72 72 ALA H H 72 8.925 8.925 8.444 0.481 25827 2937 1 7 . 1 1 73 73 SER N N 73 114.042 114.042 117.596 -3.554 25827 2938 1 7 . 1 1 73 73 SER HA H 73 4.716 4.716 4.900 -0.184 25827 2939 1 7 . 1 1 73 73 SER C C 73 172.675 172.675 172.965 -0.290 25827 2940 1 7 . 1 1 73 73 SER CA C 73 57.156 57.156 57.678 -0.522 25827 2941 1 7 . 1 1 73 73 SER CB C 73 65.581 65.581 65.970 -0.389 25827 2942 1 7 . 1 1 73 73 SER H H 73 8.794 8.794 8.302 0.492 25827 2943 1 7 . 1 1 74 74 ILE N N 74 122.487 122.487 124.408 -1.921 25827 2944 1 7 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.890 -0.914 25827 2945 1 7 . 1 1 74 74 ILE C C 74 176.045 176.045 174.373 1.672 25827 2946 1 7 . 1 1 74 74 ILE CA C 74 62.576 62.576 59.590 2.986 25827 2947 1 7 . 1 1 74 74 ILE CB C 74 38.471 38.471 41.044 -2.573 25827 2948 1 7 . 1 1 74 74 ILE H H 74 8.813 8.813 8.676 0.137 25827 2949 1 7 . 1 1 75 75 ALA N N 75 131.516 131.516 130.175 1.341 25827 2950 1 7 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.689 -0.225 25827 2951 1 7 . 1 1 75 75 ALA C C 75 176.045 176.045 175.118 0.927 25827 2952 1 7 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.035 1.194 25827 2953 1 7 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.098 -2.256 25827 2954 1 7 . 1 1 75 75 ALA H H 75 8.400 8.400 8.997 -0.597 25827 2955 1 8 . 1 1 2 2 GLY N N 2 109.659 109.659 113.930 -4.271 25827 2956 1 8 . 1 1 2 2 GLY C C 2 174.061 174.061 174.791 -0.730 25827 2957 1 8 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.619 0.032 25827 2958 1 8 . 1 1 2 2 GLY H H 2 8.539 8.539 8.774 -0.235 25827 2959 1 8 . 1 1 3 3 HIS N N 3 120.603 120.603 123.529 -2.926 25827 2960 1 8 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.421 -0.012 25827 2961 1 8 . 1 1 3 3 HIS C C 3 176.072 176.072 175.648 0.424 25827 2962 1 8 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.750 0.261 25827 2963 1 8 . 1 1 3 3 HIS CB C 3 33.362 33.362 29.872 3.490 25827 2964 1 8 . 1 1 3 3 HIS H H 3 8.030 8.030 7.976 0.054 25827 2965 1 8 . 1 1 4 4 MET N N 4 124.310 124.310 117.267 7.043 25827 2966 1 8 . 1 1 4 4 MET C C 4 176.179 176.179 176.332 -0.153 25827 2967 1 8 . 1 1 4 4 MET CA C 4 61.071 61.071 56.152 4.919 25827 2968 1 8 . 1 1 4 4 MET CB C 4 38.720 38.720 30.359 8.361 25827 2969 1 8 . 1 1 4 4 MET H H 4 8.410 8.410 8.734 -0.324 25827 2970 1 8 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.109 0.187 25827 2971 1 8 . 1 1 5 5 GLN C C 5 174.687 174.687 175.633 -0.946 25827 2972 1 8 . 1 1 5 5 GLN CA C 5 56.218 56.218 57.941 -1.723 25827 2973 1 8 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.482 0.079 25827 2974 1 8 . 1 1 6 6 VAL N N 6 120.095 120.095 112.527 7.568 25827 2975 1 8 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.490 -0.143 25827 2976 1 8 . 1 1 6 6 VAL C C 6 174.807 174.807 173.555 1.252 25827 2977 1 8 . 1 1 6 6 VAL CA C 6 61.418 61.418 59.955 1.463 25827 2978 1 8 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.914 -0.594 25827 2979 1 8 . 1 1 6 6 VAL H H 6 7.942 7.942 7.342 0.600 25827 2980 1 8 . 1 1 7 7 ALA N N 7 130.230 130.230 125.447 4.783 25827 2981 1 8 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.869 -0.234 25827 2982 1 8 . 1 1 7 7 ALA C C 7 174.913 174.913 175.539 -0.626 25827 2983 1 8 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.400 0.284 25827 2984 1 8 . 1 1 7 7 ALA CB C 7 21.637 21.637 20.552 1.085 25827 2985 1 8 . 1 1 7 7 ALA H H 7 8.952 8.952 8.766 0.186 25827 2986 1 8 . 1 1 8 8 THR N N 8 114.219 114.219 115.255 -1.036 25827 2987 1 8 . 1 1 8 8 THR HA H 8 5.594 5.594 5.569 0.025 25827 2988 1 8 . 1 1 8 8 THR C C 8 174.846 174.846 174.216 0.630 25827 2989 1 8 . 1 1 8 8 THR CA C 8 61.524 61.524 59.910 1.614 25827 2990 1 8 . 1 1 8 8 THR CB C 8 71.228 71.228 70.976 0.252 25827 2991 1 8 . 1 1 8 8 THR H H 8 8.211 8.211 8.387 -0.176 25827 2992 1 8 . 1 1 9 9 SER N N 9 121.231 121.231 118.607 2.624 25827 2993 1 8 . 1 1 9 9 SER HA H 9 5.049 5.049 4.873 0.176 25827 2994 1 8 . 1 1 9 9 SER C C 9 172.023 172.023 172.757 -0.734 25827 2995 1 8 . 1 1 9 9 SER CA C 9 57.822 57.822 57.744 0.078 25827 2996 1 8 . 1 1 9 9 SER CB C 9 67.178 67.178 65.672 1.506 25827 2997 1 8 . 1 1 9 9 SER H H 9 9.329 9.329 8.690 0.639 25827 2998 1 8 . 1 1 10 10 THR N N 10 119.646 119.646 117.042 2.604 25827 2999 1 8 . 1 1 10 10 THR HA H 10 5.423 5.423 5.632 -0.209 25827 3000 1 8 . 1 1 10 10 THR C C 10 173.754 173.754 173.026 0.728 25827 3001 1 8 . 1 1 10 10 THR CA C 10 61.591 61.591 59.887 1.704 25827 3002 1 8 . 1 1 10 10 THR CB C 10 70.230 70.230 71.340 -1.110 25827 3003 1 8 . 1 1 10 10 THR H H 10 8.790 8.790 9.081 -0.291 25827 3004 1 8 . 1 1 11 11 VAL N N 11 122.726 122.726 124.052 -1.326 25827 3005 1 8 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.326 -0.638 25827 3006 1 8 . 1 1 11 11 VAL C C 11 174.940 174.940 174.029 0.911 25827 3007 1 8 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.167 0.320 25827 3008 1 8 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.170 0.037 25827 3009 1 8 . 1 1 11 11 VAL H H 11 8.973 8.973 9.107 -0.134 25827 3010 1 8 . 1 1 12 12 ARG N N 12 127.240 127.240 128.510 -1.270 25827 3011 1 8 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.975 -0.424 25827 3012 1 8 . 1 1 12 12 ARG C C 12 175.632 175.632 175.204 0.428 25827 3013 1 8 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.484 1.247 25827 3014 1 8 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.154 -1.134 25827 3015 1 8 . 1 1 12 12 ARG H H 12 9.274 9.274 8.812 0.462 25827 3016 1 8 . 1 1 13 13 ILE N N 13 123.234 123.234 117.932 5.302 25827 3017 1 8 . 1 1 13 13 ILE HA H 13 4.741 4.741 5.101 -0.360 25827 3018 1 8 . 1 1 13 13 ILE C C 13 174.540 174.540 174.015 0.525 25827 3019 1 8 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.037 0.941 25827 3020 1 8 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.383 1.104 25827 3021 1 8 . 1 1 13 13 ILE H H 13 8.210 8.210 8.015 0.195 25827 3022 1 8 . 1 1 14 14 LEU N N 14 128.287 128.287 127.315 0.972 25827 3023 1 8 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.859 -0.094 25827 3024 1 8 . 1 1 14 14 LEU C C 14 177.391 177.391 174.820 2.571 25827 3025 1 8 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.163 -0.056 25827 3026 1 8 . 1 1 14 14 LEU CB C 14 43.616 43.616 46.295 -2.679 25827 3027 1 8 . 1 1 14 14 LEU H H 14 9.146 9.146 8.938 0.208 25827 3028 1 8 . 1 1 15 15 GLY N N 15 107.835 107.835 111.077 -3.242 25827 3029 1 8 . 1 1 15 15 GLY C C 15 175.726 175.726 174.209 1.517 25827 3030 1 8 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.780 -0.436 25827 3031 1 8 . 1 1 15 15 GLY H H 15 8.515 8.515 8.128 0.387 25827 3032 1 8 . 1 1 16 16 MET N N 16 120.244 120.244 119.265 0.979 25827 3033 1 8 . 1 1 16 16 MET HA H 16 4.699 4.699 4.349 0.350 25827 3034 1 8 . 1 1 16 16 MET C C 16 177.404 177.404 177.110 0.294 25827 3035 1 8 . 1 1 16 16 MET CA C 16 57.116 57.116 57.397 -0.281 25827 3036 1 8 . 1 1 16 16 MET CB C 16 34.852 34.852 33.176 1.676 25827 3037 1 8 . 1 1 16 16 MET H H 16 8.925 8.925 8.751 0.174 25827 3038 1 8 . 1 1 17 17 THR C C 17 174.700 174.700 173.954 0.746 25827 3039 1 8 . 1 1 17 17 THR CA C 17 62.736 62.736 61.129 1.607 25827 3040 1 8 . 1 1 17 17 THR CB C 17 64.427 64.427 70.551 -6.124 25827 3041 1 8 . 1 1 18 18 CYS N N 18 120.513 120.513 126.448 -5.935 25827 3042 1 8 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.144 0.279 25827 3043 1 8 . 1 1 18 18 CYS C C 18 177.431 177.431 176.728 0.703 25827 3044 1 8 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.763 -6.256 25827 3045 1 8 . 1 1 18 18 CYS CB C 18 42.264 42.264 28.247 14.018 25827 3046 1 8 . 1 1 18 18 CYS H H 18 8.691 8.691 9.103 -0.412 25827 3047 1 8 . 1 1 19 19 GLN N N 19 121.231 121.231 120.122 1.109 25827 3048 1 8 . 1 1 19 19 GLN HA H 19 4.338 4.338 4.060 0.278 25827 3049 1 8 . 1 1 19 19 GLN C C 19 175.832 175.832 177.494 -1.662 25827 3050 1 8 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.109 -2.526 25827 3051 1 8 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.156 2.522 25827 3052 1 8 . 1 1 19 19 GLN H H 19 8.342 8.342 8.793 -0.451 25827 3053 1 8 . 1 1 20 20 SER N N 20 116.089 116.089 115.289 0.800 25827 3054 1 8 . 1 1 20 20 SER HA H 20 4.381 4.381 4.220 0.162 25827 3055 1 8 . 1 1 20 20 SER C C 20 177.004 177.004 176.269 0.735 25827 3056 1 8 . 1 1 20 20 SER H H 20 7.953 7.953 8.309 -0.356 25827 3057 1 8 . 1 1 21 21 CYS N N 21 125.147 125.147 119.830 5.317 25827 3058 1 8 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.759 0.323 25827 3059 1 8 . 1 1 21 21 CYS C C 21 177.004 177.004 176.378 0.626 25827 3060 1 8 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.331 2.831 25827 3061 1 8 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.529 3.325 25827 3062 1 8 . 1 1 21 21 CYS H H 21 7.854 7.854 7.229 0.625 25827 3063 1 8 . 1 1 22 22 VAL N N 22 118.062 118.062 122.601 -4.539 25827 3064 1 8 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.423 0.929 25827 3065 1 8 . 1 1 22 22 VAL C C 22 177.178 177.178 177.993 -0.815 25827 3066 1 8 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.803 -0.258 25827 3067 1 8 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.355 0.375 25827 3068 1 8 . 1 1 22 22 VAL H H 22 6.834 6.834 7.768 -0.934 25827 3069 1 8 . 1 1 23 23 LYS N N 23 117.823 117.823 120.043 -2.220 25827 3070 1 8 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.979 0.103 25827 3071 1 8 . 1 1 23 23 LYS C C 23 178.456 178.456 179.354 -0.898 25827 3072 1 8 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.780 -0.986 25827 3073 1 8 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.139 0.300 25827 3074 1 8 . 1 1 23 23 LYS H H 23 7.936 7.936 7.771 0.165 25827 3075 1 8 . 1 1 24 24 SER N N 24 113.895 113.895 115.826 -1.931 25827 3076 1 8 . 1 1 24 24 SER HA H 24 4.068 4.068 4.181 -0.113 25827 3077 1 8 . 1 1 24 24 SER C C 24 177.364 177.364 176.558 0.806 25827 3078 1 8 . 1 1 24 24 SER CA C 24 62.017 62.017 62.011 0.006 25827 3079 1 8 . 1 1 24 24 SER CB C 24 62.600 62.600 62.866 -0.266 25827 3080 1 8 . 1 1 24 24 SER H H 24 8.062 8.062 8.132 -0.070 25827 3081 1 8 . 1 1 25 25 ILE N N 25 122.845 122.845 122.789 0.056 25827 3082 1 8 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.742 -0.200 25827 3083 1 8 . 1 1 25 25 ILE C C 25 177.537 177.537 176.741 0.796 25827 3084 1 8 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.936 2.076 25827 3085 1 8 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.932 0.859 25827 3086 1 8 . 1 1 25 25 ILE H H 25 7.888 7.888 7.918 -0.030 25827 3087 1 8 . 1 1 26 26 GLU N N 26 118.630 118.630 121.940 -3.310 25827 3088 1 8 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.889 -0.261 25827 3089 1 8 . 1 1 26 26 GLU C C 26 180.041 180.041 178.670 1.371 25827 3090 1 8 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.832 1.346 25827 3091 1 8 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.398 0.203 25827 3092 1 8 . 1 1 26 26 GLU H H 26 8.519 8.519 8.436 0.083 25827 3093 1 8 . 1 1 27 27 ASP N N 27 119.676 119.676 119.620 0.056 25827 3094 1 8 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.349 -0.011 25827 3095 1 8 . 1 1 27 27 ASP C C 27 178.070 178.070 178.303 -0.233 25827 3096 1 8 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.768 -0.239 25827 3097 1 8 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.941 -0.518 25827 3098 1 8 . 1 1 27 27 ASP H H 27 8.973 8.973 7.994 0.979 25827 3099 1 8 . 1 1 28 28 ARG N N 28 118.092 118.092 119.616 -1.524 25827 3100 1 8 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.139 0.042 25827 3101 1 8 . 1 1 28 28 ARG C C 28 179.296 179.296 178.599 0.697 25827 3102 1 8 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.263 0.332 25827 3103 1 8 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.853 0.457 25827 3104 1 8 . 1 1 28 28 ARG H H 28 7.630 7.630 7.409 0.221 25827 3105 1 8 . 1 1 29 29 ILE N N 29 116.597 116.597 118.449 -1.852 25827 3106 1 8 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.758 0.189 25827 3107 1 8 . 1 1 29 29 ILE C C 29 177.777 177.777 176.308 1.469 25827 3108 1 8 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.091 -3.405 25827 3109 1 8 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.995 -2.717 25827 3110 1 8 . 1 1 29 29 ILE H H 29 8.427 8.427 8.198 0.229 25827 3111 1 8 . 1 1 30 30 SER N N 30 113.160 113.160 114.198 -1.038 25827 3112 1 8 . 1 1 30 30 SER HA H 30 4.049 4.049 4.144 -0.095 25827 3113 1 8 . 1 1 30 30 SER C C 30 173.941 173.941 176.479 -2.538 25827 3114 1 8 . 1 1 30 30 SER CA C 30 62.110 62.110 61.738 0.372 25827 3115 1 8 . 1 1 30 30 SER CB C 30 62.884 62.884 63.336 -0.452 25827 3116 1 8 . 1 1 30 30 SER H H 30 8.236 8.236 8.210 0.026 25827 3117 1 8 . 1 1 31 31 ASN N N 31 115.520 115.520 119.760 -4.240 25827 3118 1 8 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.619 0.155 25827 3119 1 8 . 1 1 31 31 ASN C C 31 175.046 175.046 175.719 -0.673 25827 3120 1 8 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.505 -0.958 25827 3121 1 8 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.769 1.228 25827 3122 1 8 . 1 1 31 31 ASN H H 31 6.919 6.919 7.764 -0.845 25827 3123 1 8 . 1 1 32 32 LEU N N 32 122.666 122.666 122.574 0.092 25827 3124 1 8 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.366 -0.030 25827 3125 1 8 . 1 1 32 32 LEU C C 32 177.071 177.071 175.582 1.489 25827 3126 1 8 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.793 0.046 25827 3127 1 8 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.503 -0.696 25827 3128 1 8 . 1 1 32 32 LEU H H 32 7.620 7.620 7.587 0.033 25827 3129 1 8 . 1 1 33 33 LYS N N 33 125.955 125.955 127.854 -1.899 25827 3130 1 8 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.507 -0.453 25827 3131 1 8 . 1 1 33 33 LYS C C 33 176.698 176.698 177.017 -0.319 25827 3132 1 8 . 1 1 33 33 LYS CA C 33 57.982 57.982 55.763 2.219 25827 3133 1 8 . 1 1 33 33 LYS CB C 33 31.942 31.942 33.184 -1.242 25827 3134 1 8 . 1 1 33 33 LYS H H 33 8.451 8.451 8.269 0.182 25827 3135 1 8 . 1 1 34 34 GLY N N 34 110.541 110.541 108.045 2.496 25827 3136 1 8 . 1 1 34 34 GLY C C 34 173.381 173.381 173.754 -0.373 25827 3137 1 8 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.775 0.769 25827 3138 1 8 . 1 1 34 34 GLY H H 34 8.616 8.616 8.611 0.005 25827 3139 1 8 . 1 1 35 35 ILE N N 35 119.258 119.258 120.835 -1.577 25827 3140 1 8 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.427 -0.155 25827 3141 1 8 . 1 1 35 35 ILE C C 35 176.352 176.352 175.664 0.688 25827 3142 1 8 . 1 1 35 35 ILE CA C 35 58.608 58.608 60.809 -2.201 25827 3143 1 8 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.174 -3.145 25827 3144 1 8 . 1 1 35 35 ILE H H 35 7.580 7.580 7.704 -0.124 25827 3145 1 8 . 1 1 36 36 ILE N N 36 130.708 130.708 128.528 2.180 25827 3146 1 8 . 1 1 36 36 ILE HA H 36 4.081 4.081 3.997 0.084 25827 3147 1 8 . 1 1 36 36 ILE C C 36 176.298 176.298 175.911 0.387 25827 3148 1 8 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.904 -1.113 25827 3149 1 8 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.793 -0.641 25827 3150 1 8 . 1 1 36 36 ILE H H 36 9.244 9.244 8.292 0.952 25827 3151 1 8 . 1 1 37 37 SER N N 37 111.336 111.336 113.179 -1.843 25827 3152 1 8 . 1 1 37 37 SER HA H 37 4.613 4.613 4.757 -0.144 25827 3153 1 8 . 1 1 37 37 SER C C 37 171.809 171.809 172.434 -0.625 25827 3154 1 8 . 1 1 37 37 SER CA C 37 57.636 57.636 57.796 -0.160 25827 3155 1 8 . 1 1 37 37 SER CB C 37 64.729 64.729 66.295 -1.566 25827 3156 1 8 . 1 1 37 37 SER H H 37 8.002 8.002 8.021 -0.019 25827 3157 1 8 . 1 1 38 38 MET N N 38 123.742 123.742 122.861 0.881 25827 3158 1 8 . 1 1 38 38 MET HA H 38 5.006 5.006 5.044 -0.038 25827 3159 1 8 . 1 1 38 38 MET C C 38 172.755 172.755 174.149 -1.394 25827 3160 1 8 . 1 1 38 38 MET CA C 38 54.719 54.719 55.217 -0.498 25827 3161 1 8 . 1 1 38 38 MET CB C 38 35.562 35.562 36.468 -0.905 25827 3162 1 8 . 1 1 38 38 MET H H 38 8.651 8.651 8.680 -0.029 25827 3163 1 8 . 1 1 39 39 LYS N N 39 126.343 126.343 126.177 0.166 25827 3164 1 8 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.781 0.173 25827 3165 1 8 . 1 1 39 39 LYS C C 39 175.872 175.872 174.054 1.818 25827 3166 1 8 . 1 1 39 39 LYS CA C 39 53.907 53.907 54.546 -0.639 25827 3167 1 8 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.848 -2.244 25827 3168 1 8 . 1 1 39 39 LYS H H 39 8.173 8.173 9.238 -1.065 25827 3169 1 8 . 1 1 40 40 VAL N N 40 131.217 131.217 122.883 8.334 25827 3170 1 8 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.361 -0.094 25827 3171 1 8 . 1 1 40 40 VAL C C 40 174.327 174.327 174.316 0.011 25827 3172 1 8 . 1 1 40 40 VAL CA C 40 61.899 61.899 60.327 1.572 25827 3173 1 8 . 1 1 40 40 VAL CB C 40 32.617 32.617 34.429 -1.812 25827 3174 1 8 . 1 1 40 40 VAL H H 40 10.339 10.339 8.472 1.867 25827 3175 1 8 . 1 1 41 41 SER N N 41 121.440 121.440 124.558 -3.118 25827 3176 1 8 . 1 1 41 41 SER HA H 41 4.878 4.878 4.817 0.061 25827 3177 1 8 . 1 1 41 41 SER C C 41 175.179 175.179 174.949 0.230 25827 3178 1 8 . 1 1 41 41 SER CA C 41 55.359 55.359 56.594 -1.235 25827 3179 1 8 . 1 1 41 41 SER CB C 41 63.381 63.381 62.350 1.031 25827 3180 1 8 . 1 1 41 41 SER H H 41 9.122 9.122 8.428 0.694 25827 3181 1 8 . 1 1 42 42 LEU N N 42 131.575 131.575 125.400 6.175 25827 3182 1 8 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.942 0.863 25827 3183 1 8 . 1 1 42 42 LEU C C 42 179.189 179.189 177.994 1.195 25827 3184 1 8 . 1 1 42 42 LEU CA C 42 58.262 58.262 58.004 0.258 25827 3185 1 8 . 1 1 42 42 LEU CB C 42 41.913 41.913 41.801 0.112 25827 3186 1 8 . 1 1 42 42 LEU H H 42 9.139 9.139 8.289 0.850 25827 3187 1 8 . 1 1 43 43 GLU N N 43 117.524 117.524 116.206 1.318 25827 3188 1 8 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.034 0.771 25827 3189 1 8 . 1 1 43 43 GLU C C 43 178.456 178.456 177.510 0.946 25827 3190 1 8 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.420 1.506 25827 3191 1 8 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.814 0.503 25827 3192 1 8 . 1 1 43 43 GLU H H 43 9.041 9.041 8.219 0.822 25827 3193 1 8 . 1 1 44 44 GLN N N 44 113.278 113.278 119.287 -6.009 25827 3194 1 8 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.289 0.047 25827 3195 1 8 . 1 1 44 44 GLN C C 44 176.765 176.765 176.939 -0.174 25827 3196 1 8 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.679 -0.134 25827 3197 1 8 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.376 0.225 25827 3198 1 8 . 1 1 44 44 GLN H H 44 7.651 7.651 7.513 0.138 25827 3199 1 8 . 1 1 45 45 GLY N N 45 110.453 110.453 107.446 3.007 25827 3200 1 8 . 1 1 45 45 GLY C C 45 174.487 174.487 173.327 1.160 25827 3201 1 8 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.314 2.028 25827 3202 1 8 . 1 1 45 45 GLY H H 45 7.884 7.884 7.893 -0.009 25827 3203 1 8 . 1 1 46 46 SER N N 46 111.130 111.130 114.463 -3.333 25827 3204 1 8 . 1 1 46 46 SER HA H 46 5.412 5.412 5.423 -0.011 25827 3205 1 8 . 1 1 46 46 SER C C 46 171.503 171.503 172.183 -0.680 25827 3206 1 8 . 1 1 46 46 SER CA C 46 56.544 56.544 56.779 -0.235 25827 3207 1 8 . 1 1 46 46 SER CB C 46 66.327 66.327 65.546 0.781 25827 3208 1 8 . 1 1 46 46 SER H H 46 7.807 7.807 7.543 0.264 25827 3209 1 8 . 1 1 47 47 ALA N N 47 120.663 120.663 124.851 -4.188 25827 3210 1 8 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.776 0.519 25827 3211 1 8 . 1 1 47 47 ALA C C 47 175.806 175.806 175.741 0.065 25827 3212 1 8 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.306 0.047 25827 3213 1 8 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.212 2.739 25827 3214 1 8 . 1 1 47 47 ALA H H 47 9.349 9.349 9.039 0.310 25827 3215 1 8 . 1 1 48 48 THR N N 48 117.344 117.344 117.730 -0.386 25827 3216 1 8 . 1 1 48 48 THR HA H 48 4.880 4.880 5.212 -0.332 25827 3217 1 8 . 1 1 48 48 THR C C 48 173.847 173.847 173.063 0.784 25827 3218 1 8 . 1 1 48 48 THR CA C 48 62.163 62.163 61.837 0.326 25827 3219 1 8 . 1 1 48 48 THR CB C 48 69.698 69.698 70.653 -0.955 25827 3220 1 8 . 1 1 48 48 THR H H 48 8.634 8.634 9.002 -0.368 25827 3221 1 8 . 1 1 49 49 VAL N N 49 129.782 129.782 127.114 2.668 25827 3222 1 8 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.569 0.289 25827 3223 1 8 . 1 1 49 49 VAL C C 49 173.208 173.208 173.125 0.083 25827 3224 1 8 . 1 1 49 49 VAL CA C 49 59.860 59.860 60.117 -0.257 25827 3225 1 8 . 1 1 49 49 VAL CB C 49 34.852 34.852 35.815 -0.963 25827 3226 1 8 . 1 1 49 49 VAL H H 49 9.400 9.400 9.241 0.159 25827 3227 1 8 . 1 1 50 50 LYS N N 50 128.107 128.107 129.569 -1.462 25827 3228 1 8 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.364 0.560 25827 3229 1 8 . 1 1 50 50 LYS C C 50 176.671 176.671 174.839 1.832 25827 3230 1 8 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.464 0.588 25827 3231 1 8 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.764 -0.409 25827 3232 1 8 . 1 1 50 50 LYS H H 50 8.997 8.997 9.201 -0.204 25827 3233 1 8 . 1 1 51 51 TYR N N 51 124.310 124.310 122.035 2.275 25827 3234 1 8 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.992 0.559 25827 3235 1 8 . 1 1 51 51 TYR C C 51 171.343 171.343 173.214 -1.871 25827 3236 1 8 . 1 1 51 51 TYR CA C 51 55.492 55.492 55.970 -0.478 25827 3237 1 8 . 1 1 51 51 TYR CB C 51 41.452 41.452 41.106 0.346 25827 3238 1 8 . 1 1 51 51 TYR H H 51 9.478 9.478 8.893 0.585 25827 3239 1 8 . 1 1 52 52 VAL N N 52 122.068 122.068 121.076 0.992 25827 3240 1 8 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.366 0.354 25827 3241 1 8 . 1 1 52 52 VAL C C 52 176.045 176.045 175.676 0.369 25827 3242 1 8 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.384 -0.804 25827 3243 1 8 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.934 0.754 25827 3244 1 8 . 1 1 52 52 VAL H H 52 8.702 8.702 8.216 0.486 25827 3245 1 8 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.499 -0.132 25827 3246 1 8 . 1 1 53 53 PRO C C 53 177.111 177.111 177.964 -0.853 25827 3247 1 8 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.133 -0.792 25827 3248 1 8 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.013 -0.073 25827 3249 1 8 . 1 1 54 54 SER N N 54 109.924 109.924 112.632 -2.708 25827 3250 1 8 . 1 1 54 54 SER HA H 54 4.345 4.345 4.491 -0.146 25827 3251 1 8 . 1 1 54 54 SER C C 54 174.580 174.580 174.977 -0.397 25827 3252 1 8 . 1 1 54 54 SER CA C 54 59.726 59.726 59.643 0.083 25827 3253 1 8 . 1 1 54 54 SER CB C 54 62.635 62.635 62.987 -0.352 25827 3254 1 8 . 1 1 54 54 SER H H 54 7.898 7.898 8.306 -0.408 25827 3255 1 8 . 1 1 55 55 VAL N N 55 121.919 121.919 120.194 1.725 25827 3256 1 8 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.103 0.020 25827 3257 1 8 . 1 1 55 55 VAL C C 55 174.607 174.607 175.659 -1.052 25827 3258 1 8 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.806 -0.085 25827 3259 1 8 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.258 1.310 25827 3260 1 8 . 1 1 55 55 VAL H H 55 8.163 8.163 7.642 0.521 25827 3261 1 8 . 1 1 56 56 VAL N N 56 121.380 121.380 118.931 2.449 25827 3262 1 8 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.271 0.300 25827 3263 1 8 . 1 1 56 56 VAL C C 56 170.477 170.477 174.261 -3.784 25827 3264 1 8 . 1 1 56 56 VAL CA C 56 59.833 59.833 59.967 -0.134 25827 3265 1 8 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.149 1.271 25827 3266 1 8 . 1 1 56 56 VAL H H 56 8.254 8.254 8.034 0.220 25827 3267 1 8 . 1 1 57 57 CYS N N 57 121.201 121.201 122.514 -1.313 25827 3268 1 8 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.831 0.273 25827 3269 1 8 . 1 1 57 57 CYS C C 57 176.591 176.591 175.926 0.665 25827 3270 1 8 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.142 -0.517 25827 3271 1 8 . 1 1 57 57 CYS CB C 57 30.878 30.878 30.439 0.439 25827 3272 1 8 . 1 1 57 57 CYS H H 57 7.885 7.885 8.546 -0.661 25827 3273 1 8 . 1 1 58 58 LEU N N 58 125.028 125.028 123.133 1.895 25827 3274 1 8 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.897 -0.269 25827 3275 1 8 . 1 1 58 58 LEU C C 58 179.335 179.335 179.094 0.241 25827 3276 1 8 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.020 -0.615 25827 3277 1 8 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.666 -0.358 25827 3278 1 8 . 1 1 58 58 LEU H H 58 8.555 8.555 8.690 -0.135 25827 3279 1 8 . 1 1 59 59 GLN N N 59 120.812 120.812 117.190 3.622 25827 3280 1 8 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.740 0.229 25827 3281 1 8 . 1 1 59 59 GLN C C 59 178.629 178.629 178.145 0.484 25827 3282 1 8 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.471 1.282 25827 3283 1 8 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.284 0.604 25827 3284 1 8 . 1 1 59 59 GLN H H 59 9.081 9.081 8.517 0.564 25827 3285 1 8 . 1 1 60 60 GLN N N 60 120.513 120.513 118.521 1.992 25827 3286 1 8 . 1 1 60 60 GLN HA H 60 4.161 4.161 3.977 0.184 25827 3287 1 8 . 1 1 60 60 GLN C C 60 179.002 179.002 178.072 0.930 25827 3288 1 8 . 1 1 60 60 GLN CA C 60 58.887 58.887 59.280 -0.393 25827 3289 1 8 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.257 0.492 25827 3290 1 8 . 1 1 60 60 GLN H H 60 7.793 7.793 7.563 0.230 25827 3291 1 8 . 1 1 61 61 VAL N N 61 119.886 119.886 114.969 4.917 25827 3292 1 8 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.866 -0.572 25827 3293 1 8 . 1 1 61 61 VAL C C 61 177.564 177.564 177.723 -0.159 25827 3294 1 8 . 1 1 61 61 VAL CA C 61 67.104 67.104 64.799 2.305 25827 3295 1 8 . 1 1 61 61 VAL CB C 61 31.233 31.233 30.854 0.379 25827 3296 1 8 . 1 1 61 61 VAL H H 61 7.359 7.359 7.465 -0.106 25827 3297 1 8 . 1 1 62 62 CYS N N 62 116.059 116.059 119.756 -3.697 25827 3298 1 8 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.004 -0.200 25827 3299 1 8 . 1 1 62 62 CYS C C 62 177.630 177.630 176.843 0.787 25827 3300 1 8 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.835 -0.168 25827 3301 1 8 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.979 -0.466 25827 3302 1 8 . 1 1 62 62 CYS H H 62 8.034 8.034 7.709 0.325 25827 3303 1 8 . 1 1 63 63 HIS N N 63 121.440 121.440 118.672 2.768 25827 3304 1 8 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.174 0.249 25827 3305 1 8 . 1 1 63 63 HIS C C 63 178.097 178.097 177.911 0.186 25827 3306 1 8 . 1 1 63 63 HIS CA C 63 59.340 59.340 58.987 0.353 25827 3307 1 8 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.509 0.872 25827 3308 1 8 . 1 1 63 63 HIS H H 63 8.430 8.430 8.425 0.005 25827 3309 1 8 . 1 1 64 64 GLN N N 64 118.839 118.839 118.219 0.620 25827 3310 1 8 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.082 -0.055 25827 3311 1 8 . 1 1 64 64 GLN C C 64 178.536 178.536 178.507 0.029 25827 3312 1 8 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.528 0.812 25827 3313 1 8 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.326 -0.216 25827 3314 1 8 . 1 1 64 64 GLN H H 64 8.102 8.102 7.661 0.441 25827 3315 1 8 . 1 1 65 65 ILE N N 65 119.228 119.228 119.881 -0.653 25827 3316 1 8 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.028 -0.343 25827 3317 1 8 . 1 1 65 65 ILE C C 65 178.656 178.656 177.574 1.082 25827 3318 1 8 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.319 2.733 25827 3319 1 8 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.124 0.241 25827 3320 1 8 . 1 1 65 65 ILE H H 65 7.858 7.858 7.589 0.269 25827 3321 1 8 . 1 1 66 66 GLY N N 66 109.453 109.453 107.875 1.578 25827 3322 1 8 . 1 1 66 66 GLY C C 66 178.643 178.643 176.199 2.444 25827 3323 1 8 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.414 -0.312 25827 3324 1 8 . 1 1 66 66 GLY H H 66 8.379 8.379 8.594 -0.215 25827 3325 1 8 . 1 1 67 67 ASP N N 67 123.114 123.114 121.536 1.578 25827 3326 1 8 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.455 0.009 25827 3327 1 8 . 1 1 67 67 ASP C C 67 177.497 177.497 177.842 -0.345 25827 3328 1 8 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.535 0.022 25827 3329 1 8 . 1 1 67 67 ASP CB C 67 41.097 41.097 41.096 0.001 25827 3330 1 8 . 1 1 67 67 ASP H H 67 8.091 8.091 8.256 -0.165 25827 3331 1 8 . 1 1 68 68 MET N N 68 115.939 115.939 116.539 -0.600 25827 3332 1 8 . 1 1 68 68 MET HA H 68 4.297 4.297 4.411 -0.114 25827 3333 1 8 . 1 1 68 68 MET C C 68 175.739 175.739 176.942 -1.203 25827 3334 1 8 . 1 1 68 68 MET CA C 68 56.490 56.490 55.242 1.248 25827 3335 1 8 . 1 1 68 68 MET CB C 68 34.355 34.355 32.559 1.796 25827 3336 1 8 . 1 1 68 68 MET H H 68 7.576 7.576 7.632 -0.056 25827 3337 1 8 . 1 1 69 69 GLY N N 69 104.775 104.775 107.137 -2.362 25827 3338 1 8 . 1 1 69 69 GLY C C 69 173.328 173.328 173.737 -0.409 25827 3339 1 8 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.761 0.024 25827 3340 1 8 . 1 1 69 69 GLY H H 69 7.880 7.880 7.847 0.033 25827 3341 1 8 . 1 1 70 70 PHE N N 70 118.809 118.809 119.542 -0.733 25827 3342 1 8 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.655 0.257 25827 3343 1 8 . 1 1 70 70 PHE C C 70 173.768 173.768 173.907 -0.139 25827 3344 1 8 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.140 -0.982 25827 3345 1 8 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.167 -0.531 25827 3346 1 8 . 1 1 70 70 PHE H H 70 6.905 6.905 7.489 -0.584 25827 3347 1 8 . 1 1 71 71 GLU N N 71 119.497 119.497 121.650 -2.153 25827 3348 1 8 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.775 -0.194 25827 3349 1 8 . 1 1 71 71 GLU C C 71 174.993 174.993 174.426 0.567 25827 3350 1 8 . 1 1 71 71 GLU CA C 71 56.212 56.212 54.776 1.437 25827 3351 1 8 . 1 1 71 71 GLU CB C 71 31.375 31.375 32.259 -0.884 25827 3352 1 8 . 1 1 71 71 GLU H H 71 8.081 8.081 8.792 -0.711 25827 3353 1 8 . 1 1 72 72 ALA N N 72 129.662 129.662 128.787 0.875 25827 3354 1 8 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.566 0.269 25827 3355 1 8 . 1 1 72 72 ALA C C 72 176.179 176.179 175.924 0.255 25827 3356 1 8 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.519 -0.527 25827 3357 1 8 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.151 0.812 25827 3358 1 8 . 1 1 72 72 ALA H H 72 8.925 8.925 8.437 0.488 25827 3359 1 8 . 1 1 73 73 SER N N 73 114.042 114.042 116.526 -2.484 25827 3360 1 8 . 1 1 73 73 SER HA H 73 4.716 4.716 4.830 -0.114 25827 3361 1 8 . 1 1 73 73 SER C C 73 172.675 172.675 173.328 -0.653 25827 3362 1 8 . 1 1 73 73 SER CA C 73 57.156 57.156 56.917 0.239 25827 3363 1 8 . 1 1 73 73 SER CB C 73 65.581 65.581 66.280 -0.699 25827 3364 1 8 . 1 1 73 73 SER H H 73 8.794 8.794 8.666 0.128 25827 3365 1 8 . 1 1 74 74 ILE N N 74 122.487 122.487 122.428 0.059 25827 3366 1 8 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.709 -0.733 25827 3367 1 8 . 1 1 74 74 ILE C C 74 176.045 176.045 175.973 0.072 25827 3368 1 8 . 1 1 74 74 ILE CA C 74 62.576 62.576 59.784 2.792 25827 3369 1 8 . 1 1 74 74 ILE CB C 74 38.471 38.471 37.729 0.742 25827 3370 1 8 . 1 1 74 74 ILE H H 74 8.813 8.813 8.666 0.147 25827 3371 1 8 . 1 1 75 75 ALA N N 75 131.516 131.516 131.762 -0.246 25827 3372 1 8 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.785 -0.321 25827 3373 1 8 . 1 1 75 75 ALA C C 75 176.045 176.045 175.412 0.633 25827 3374 1 8 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.650 1.579 25827 3375 1 8 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.230 -2.388 25827 3376 1 8 . 1 1 75 75 ALA H H 75 8.400 8.400 9.081 -0.681 25827 3377 1 9 . 1 1 2 2 GLY N N 2 109.659 109.659 107.827 1.832 25827 3378 1 9 . 1 1 2 2 GLY C C 2 174.061 174.061 173.246 0.815 25827 3379 1 9 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.117 0.534 25827 3380 1 9 . 1 1 2 2 GLY H H 2 8.539 8.539 7.975 0.564 25827 3381 1 9 . 1 1 3 3 HIS N N 3 120.603 120.603 120.078 0.525 25827 3382 1 9 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.687 -0.278 25827 3383 1 9 . 1 1 3 3 HIS C C 3 176.072 176.072 175.626 0.446 25827 3384 1 9 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.767 0.244 25827 3385 1 9 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.641 2.721 25827 3386 1 9 . 1 1 3 3 HIS H H 3 8.030 8.030 8.535 -0.505 25827 3387 1 9 . 1 1 4 4 MET N N 4 124.310 124.310 122.975 1.335 25827 3388 1 9 . 1 1 4 4 MET C C 4 176.179 176.179 176.228 -0.049 25827 3389 1 9 . 1 1 4 4 MET CA C 4 61.071 61.071 56.697 4.374 25827 3390 1 9 . 1 1 4 4 MET CB C 4 38.720 38.720 32.792 5.928 25827 3391 1 9 . 1 1 4 4 MET H H 4 8.410 8.410 8.643 -0.233 25827 3392 1 9 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.495 -0.199 25827 3393 1 9 . 1 1 5 5 GLN C C 5 174.687 174.687 174.920 -0.233 25827 3394 1 9 . 1 1 5 5 GLN CA C 5 56.218 56.218 55.025 1.193 25827 3395 1 9 . 1 1 5 5 GLN CB C 5 29.561 29.561 28.472 1.089 25827 3396 1 9 . 1 1 6 6 VAL N N 6 120.095 120.095 118.626 1.469 25827 3397 1 9 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.415 -0.068 25827 3398 1 9 . 1 1 6 6 VAL C C 6 174.807 174.807 173.970 0.837 25827 3399 1 9 . 1 1 6 6 VAL CA C 6 61.418 61.418 59.468 1.950 25827 3400 1 9 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.641 -0.321 25827 3401 1 9 . 1 1 6 6 VAL H H 6 7.942 7.942 8.044 -0.102 25827 3402 1 9 . 1 1 7 7 ALA N N 7 130.230 130.230 125.923 4.307 25827 3403 1 9 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.743 -0.108 25827 3404 1 9 . 1 1 7 7 ALA C C 7 174.913 174.913 175.976 -1.063 25827 3405 1 9 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.877 -0.193 25827 3406 1 9 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.212 0.425 25827 3407 1 9 . 1 1 7 7 ALA H H 7 8.952 8.952 8.764 0.188 25827 3408 1 9 . 1 1 8 8 THR N N 8 114.219 114.219 114.628 -0.409 25827 3409 1 9 . 1 1 8 8 THR HA H 8 5.594 5.594 5.569 0.025 25827 3410 1 9 . 1 1 8 8 THR C C 8 174.846 174.846 173.890 0.956 25827 3411 1 9 . 1 1 8 8 THR CA C 8 61.524 61.524 59.106 2.418 25827 3412 1 9 . 1 1 8 8 THR CB C 8 71.228 71.228 71.314 -0.086 25827 3413 1 9 . 1 1 8 8 THR H H 8 8.211 8.211 8.243 -0.032 25827 3414 1 9 . 1 1 9 9 SER N N 9 121.231 121.231 117.673 3.558 25827 3415 1 9 . 1 1 9 9 SER HA H 9 5.049 5.049 5.625 -0.576 25827 3416 1 9 . 1 1 9 9 SER C C 9 172.023 172.023 172.995 -0.972 25827 3417 1 9 . 1 1 9 9 SER CA C 9 57.822 57.822 57.458 0.364 25827 3418 1 9 . 1 1 9 9 SER CB C 9 67.178 67.178 66.450 0.728 25827 3419 1 9 . 1 1 9 9 SER H H 9 9.329 9.329 8.768 0.561 25827 3420 1 9 . 1 1 10 10 THR N N 10 119.646 119.646 113.897 5.749 25827 3421 1 9 . 1 1 10 10 THR HA H 10 5.423 5.423 5.426 -0.003 25827 3422 1 9 . 1 1 10 10 THR C C 10 173.754 173.754 174.414 -0.660 25827 3423 1 9 . 1 1 10 10 THR CA C 10 61.591 61.591 60.220 1.371 25827 3424 1 9 . 1 1 10 10 THR CB C 10 70.230 70.230 70.014 0.215 25827 3425 1 9 . 1 1 10 10 THR H H 10 8.790 8.790 9.021 -0.231 25827 3426 1 9 . 1 1 11 11 VAL N N 11 122.726 122.726 127.620 -4.894 25827 3427 1 9 . 1 1 11 11 VAL HA H 11 4.688 4.688 4.943 -0.255 25827 3428 1 9 . 1 1 11 11 VAL C C 11 174.940 174.940 175.309 -0.369 25827 3429 1 9 . 1 1 11 11 VAL CA C 11 59.487 59.487 61.293 -1.806 25827 3430 1 9 . 1 1 11 11 VAL CB C 11 35.207 35.207 33.519 1.688 25827 3431 1 9 . 1 1 11 11 VAL H H 11 8.973 8.973 9.131 -0.158 25827 3432 1 9 . 1 1 12 12 ARG N N 12 127.240 127.240 127.141 0.099 25827 3433 1 9 . 1 1 12 12 ARG HA H 12 4.551 4.551 5.105 -0.554 25827 3434 1 9 . 1 1 12 12 ARG C C 12 175.632 175.632 175.193 0.439 25827 3435 1 9 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.631 1.100 25827 3436 1 9 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.206 -1.186 25827 3437 1 9 . 1 1 12 12 ARG H H 12 9.274 9.274 9.150 0.124 25827 3438 1 9 . 1 1 13 13 ILE N N 13 123.234 123.234 122.106 1.128 25827 3439 1 9 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.711 0.030 25827 3440 1 9 . 1 1 13 13 ILE C C 13 174.540 174.540 175.029 -0.489 25827 3441 1 9 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.339 0.639 25827 3442 1 9 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.867 0.620 25827 3443 1 9 . 1 1 13 13 ILE H H 13 8.210 8.210 8.931 -0.721 25827 3444 1 9 . 1 1 14 14 LEU N N 14 128.287 128.287 129.368 -1.081 25827 3445 1 9 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.718 0.047 25827 3446 1 9 . 1 1 14 14 LEU C C 14 177.391 177.391 174.716 2.675 25827 3447 1 9 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.970 0.137 25827 3448 1 9 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.128 -0.512 25827 3449 1 9 . 1 1 14 14 LEU H H 14 9.146 9.146 9.166 -0.020 25827 3450 1 9 . 1 1 15 15 GLY N N 15 107.835 107.835 110.878 -3.043 25827 3451 1 9 . 1 1 15 15 GLY C C 15 175.726 175.726 174.561 1.165 25827 3452 1 9 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.128 0.216 25827 3453 1 9 . 1 1 15 15 GLY H H 15 8.515 8.515 7.935 0.580 25827 3454 1 9 . 1 1 16 16 MET N N 16 120.244 120.244 117.856 2.388 25827 3455 1 9 . 1 1 16 16 MET HA H 16 4.699 4.699 4.476 0.223 25827 3456 1 9 . 1 1 16 16 MET C C 16 177.404 177.404 177.147 0.257 25827 3457 1 9 . 1 1 16 16 MET CA C 16 57.116 57.116 57.190 -0.074 25827 3458 1 9 . 1 1 16 16 MET CB C 16 34.852 34.852 32.926 1.926 25827 3459 1 9 . 1 1 16 16 MET H H 16 8.925 8.925 8.935 -0.010 25827 3460 1 9 . 1 1 17 17 THR C C 17 174.700 174.700 174.405 0.295 25827 3461 1 9 . 1 1 17 17 THR CA C 17 62.736 62.736 60.395 2.341 25827 3462 1 9 . 1 1 17 17 THR CB C 17 64.427 64.427 70.004 -5.577 25827 3463 1 9 . 1 1 18 18 CYS N N 18 120.513 120.513 124.272 -3.759 25827 3464 1 9 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.340 0.083 25827 3465 1 9 . 1 1 18 18 CYS C C 18 177.431 177.431 177.048 0.383 25827 3466 1 9 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.466 -4.959 25827 3467 1 9 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.529 14.735 25827 3468 1 9 . 1 1 18 18 CYS H H 18 8.691 8.691 8.859 -0.168 25827 3469 1 9 . 1 1 19 19 GLN N N 19 121.231 121.231 119.408 1.823 25827 3470 1 9 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.857 0.481 25827 3471 1 9 . 1 1 19 19 GLN C C 19 175.832 175.832 177.961 -2.129 25827 3472 1 9 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.513 -2.930 25827 3473 1 9 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.352 2.326 25827 3474 1 9 . 1 1 19 19 GLN H H 19 8.342 8.342 7.892 0.450 25827 3475 1 9 . 1 1 20 20 SER N N 20 116.089 116.089 114.455 1.634 25827 3476 1 9 . 1 1 20 20 SER HA H 20 4.381 4.381 4.180 0.201 25827 3477 1 9 . 1 1 20 20 SER C C 20 177.004 177.004 176.156 0.848 25827 3478 1 9 . 1 1 20 20 SER H H 20 7.953 7.953 8.096 -0.143 25827 3479 1 9 . 1 1 21 21 CYS N N 21 125.147 125.147 120.223 4.924 25827 3480 1 9 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.919 0.163 25827 3481 1 9 . 1 1 21 21 CYS C C 21 177.004 177.004 176.560 0.444 25827 3482 1 9 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.548 2.614 25827 3483 1 9 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.476 3.378 25827 3484 1 9 . 1 1 21 21 CYS H H 21 7.854 7.854 7.114 0.741 25827 3485 1 9 . 1 1 22 22 VAL N N 22 118.062 118.062 122.605 -4.543 25827 3486 1 9 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.531 0.821 25827 3487 1 9 . 1 1 22 22 VAL C C 22 177.178 177.178 178.081 -0.903 25827 3488 1 9 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.346 -0.801 25827 3489 1 9 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.262 0.468 25827 3490 1 9 . 1 1 22 22 VAL H H 22 6.834 6.834 8.519 -1.685 25827 3491 1 9 . 1 1 23 23 LYS N N 23 117.823 117.823 119.726 -1.903 25827 3492 1 9 . 1 1 23 23 LYS HA H 23 4.082 4.082 4.125 -0.043 25827 3493 1 9 . 1 1 23 23 LYS C C 23 178.456 178.456 179.553 -1.097 25827 3494 1 9 . 1 1 23 23 LYS CA C 23 58.794 58.794 58.424 0.370 25827 3495 1 9 . 1 1 23 23 LYS CB C 23 32.439 32.439 31.598 0.841 25827 3496 1 9 . 1 1 23 23 LYS H H 23 7.936 7.936 7.788 0.148 25827 3497 1 9 . 1 1 24 24 SER N N 24 113.895 113.895 116.182 -2.287 25827 3498 1 9 . 1 1 24 24 SER HA H 24 4.068 4.068 4.199 -0.131 25827 3499 1 9 . 1 1 24 24 SER C C 24 177.364 177.364 176.744 0.620 25827 3500 1 9 . 1 1 24 24 SER CA C 24 62.017 62.017 62.071 -0.054 25827 3501 1 9 . 1 1 24 24 SER CB C 24 62.600 62.600 63.062 -0.462 25827 3502 1 9 . 1 1 24 24 SER H H 24 8.062 8.062 7.829 0.233 25827 3503 1 9 . 1 1 25 25 ILE N N 25 122.845 122.845 122.970 -0.125 25827 3504 1 9 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.790 -0.248 25827 3505 1 9 . 1 1 25 25 ILE C C 25 177.537 177.537 176.774 0.763 25827 3506 1 9 . 1 1 25 25 ILE CA C 25 66.012 66.012 62.730 3.282 25827 3507 1 9 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.934 0.857 25827 3508 1 9 . 1 1 25 25 ILE H H 25 7.888 7.888 7.884 0.004 25827 3509 1 9 . 1 1 26 26 GLU N N 26 118.630 118.630 120.727 -2.097 25827 3510 1 9 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.924 -0.296 25827 3511 1 9 . 1 1 26 26 GLU C C 26 180.041 180.041 178.776 1.265 25827 3512 1 9 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.702 1.476 25827 3513 1 9 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.306 0.295 25827 3514 1 9 . 1 1 26 26 GLU H H 26 8.519 8.519 8.508 0.011 25827 3515 1 9 . 1 1 27 27 ASP N N 27 119.676 119.676 119.715 -0.039 25827 3516 1 9 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.358 -0.020 25827 3517 1 9 . 1 1 27 27 ASP C C 27 178.070 178.070 178.678 -0.608 25827 3518 1 9 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.406 0.123 25827 3519 1 9 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.889 -0.466 25827 3520 1 9 . 1 1 27 27 ASP H H 27 8.973 8.973 8.088 0.885 25827 3521 1 9 . 1 1 28 28 ARG N N 28 118.092 118.092 118.464 -0.372 25827 3522 1 9 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.088 0.093 25827 3523 1 9 . 1 1 28 28 ARG C C 28 179.296 179.296 178.952 0.344 25827 3524 1 9 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.228 0.367 25827 3525 1 9 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.911 0.399 25827 3526 1 9 . 1 1 28 28 ARG H H 28 7.630 7.630 7.385 0.245 25827 3527 1 9 . 1 1 29 29 ILE N N 29 116.597 116.597 119.227 -2.630 25827 3528 1 9 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.728 0.219 25827 3529 1 9 . 1 1 29 29 ILE C C 29 177.777 177.777 176.457 1.320 25827 3530 1 9 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.154 -3.469 25827 3531 1 9 . 1 1 29 29 ILE CB C 29 35.278 35.278 38.060 -2.782 25827 3532 1 9 . 1 1 29 29 ILE H H 29 8.427 8.427 7.723 0.704 25827 3533 1 9 . 1 1 30 30 SER N N 30 113.160 113.160 114.349 -1.189 25827 3534 1 9 . 1 1 30 30 SER HA H 30 4.049 4.049 4.189 -0.140 25827 3535 1 9 . 1 1 30 30 SER C C 30 173.941 173.941 175.791 -1.850 25827 3536 1 9 . 1 1 30 30 SER CA C 30 62.110 62.110 61.280 0.830 25827 3537 1 9 . 1 1 30 30 SER CB C 30 62.884 62.884 63.526 -0.642 25827 3538 1 9 . 1 1 30 30 SER H H 30 8.236 8.236 8.237 -0.001 25827 3539 1 9 . 1 1 31 31 ASN N N 31 115.520 115.520 117.914 -2.394 25827 3540 1 9 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.561 0.213 25827 3541 1 9 . 1 1 31 31 ASN C C 31 175.046 175.046 175.782 -0.736 25827 3542 1 9 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.705 -1.158 25827 3543 1 9 . 1 1 31 31 ASN CB C 31 39.997 39.997 39.030 0.967 25827 3544 1 9 . 1 1 31 31 ASN H H 31 6.919 6.919 7.716 -0.797 25827 3545 1 9 . 1 1 32 32 LEU N N 32 122.666 122.666 121.096 1.570 25827 3546 1 9 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.316 0.020 25827 3547 1 9 . 1 1 32 32 LEU C C 32 177.071 177.071 175.845 1.226 25827 3548 1 9 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.573 0.266 25827 3549 1 9 . 1 1 32 32 LEU CB C 32 41.807 41.807 41.721 0.086 25827 3550 1 9 . 1 1 32 32 LEU H H 32 7.620 7.620 7.253 0.367 25827 3551 1 9 . 1 1 33 33 LYS N N 33 125.955 125.955 125.394 0.561 25827 3552 1 9 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.365 -0.311 25827 3553 1 9 . 1 1 33 33 LYS C C 33 176.698 176.698 177.110 -0.412 25827 3554 1 9 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.309 1.673 25827 3555 1 9 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.926 -0.984 25827 3556 1 9 . 1 1 33 33 LYS H H 33 8.451 8.451 8.395 0.056 25827 3557 1 9 . 1 1 34 34 GLY N N 34 110.541 110.541 108.539 2.002 25827 3558 1 9 . 1 1 34 34 GLY C C 34 173.381 173.381 173.298 0.083 25827 3559 1 9 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.600 0.944 25827 3560 1 9 . 1 1 34 34 GLY H H 34 8.616 8.616 8.704 -0.088 25827 3561 1 9 . 1 1 35 35 ILE N N 35 119.258 119.258 116.223 3.035 25827 3562 1 9 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.585 -0.313 25827 3563 1 9 . 1 1 35 35 ILE C C 35 176.352 176.352 174.614 1.738 25827 3564 1 9 . 1 1 35 35 ILE CA C 35 58.608 58.608 60.345 -1.737 25827 3565 1 9 . 1 1 35 35 ILE CB C 35 35.029 35.029 39.228 -4.199 25827 3566 1 9 . 1 1 35 35 ILE H H 35 7.580 7.580 7.491 0.089 25827 3567 1 9 . 1 1 36 36 ILE N N 36 130.708 130.708 126.674 4.034 25827 3568 1 9 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.122 -0.041 25827 3569 1 9 . 1 1 36 36 ILE C C 36 176.298 176.298 176.647 -0.349 25827 3570 1 9 . 1 1 36 36 ILE CA C 36 61.791 61.791 63.498 -1.707 25827 3571 1 9 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.974 -0.822 25827 3572 1 9 . 1 1 36 36 ILE H H 36 9.244 9.244 8.731 0.513 25827 3573 1 9 . 1 1 37 37 SER N N 37 111.336 111.336 111.972 -0.636 25827 3574 1 9 . 1 1 37 37 SER HA H 37 4.613 4.613 4.774 -0.161 25827 3575 1 9 . 1 1 37 37 SER C C 37 171.809 171.809 172.495 -0.686 25827 3576 1 9 . 1 1 37 37 SER CA C 37 57.636 57.636 58.008 -0.372 25827 3577 1 9 . 1 1 37 37 SER CB C 37 64.729 64.729 65.620 -0.891 25827 3578 1 9 . 1 1 37 37 SER H H 37 8.002 8.002 7.904 0.098 25827 3579 1 9 . 1 1 38 38 MET N N 38 123.742 123.742 120.257 3.485 25827 3580 1 9 . 1 1 38 38 MET HA H 38 5.006 5.006 5.160 -0.154 25827 3581 1 9 . 1 1 38 38 MET C C 38 172.755 172.755 175.245 -2.490 25827 3582 1 9 . 1 1 38 38 MET CA C 38 54.719 54.719 54.960 -0.241 25827 3583 1 9 . 1 1 38 38 MET CB C 38 35.562 35.562 37.125 -1.563 25827 3584 1 9 . 1 1 38 38 MET H H 38 8.651 8.651 8.570 0.081 25827 3585 1 9 . 1 1 39 39 LYS N N 39 126.343 126.343 122.018 4.325 25827 3586 1 9 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.820 0.134 25827 3587 1 9 . 1 1 39 39 LYS C C 39 175.872 175.872 174.534 1.338 25827 3588 1 9 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.320 -1.413 25827 3589 1 9 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.678 -2.074 25827 3590 1 9 . 1 1 39 39 LYS H H 39 8.173 8.173 9.067 -0.894 25827 3591 1 9 . 1 1 40 40 VAL N N 40 131.217 131.217 121.722 9.495 25827 3592 1 9 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.339 -0.072 25827 3593 1 9 . 1 1 40 40 VAL C C 40 174.327 174.327 174.108 0.219 25827 3594 1 9 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.081 0.818 25827 3595 1 9 . 1 1 40 40 VAL CB C 40 32.617 32.617 34.958 -2.341 25827 3596 1 9 . 1 1 40 40 VAL H H 40 10.339 10.339 8.389 1.950 25827 3597 1 9 . 1 1 41 41 SER N N 41 121.440 121.440 125.118 -3.678 25827 3598 1 9 . 1 1 41 41 SER HA H 41 4.878 4.878 4.880 -0.003 25827 3599 1 9 . 1 1 41 41 SER C C 41 175.179 175.179 174.667 0.512 25827 3600 1 9 . 1 1 41 41 SER CA C 41 55.359 55.359 56.635 -1.276 25827 3601 1 9 . 1 1 41 41 SER CB C 41 63.381 63.381 63.224 0.157 25827 3602 1 9 . 1 1 41 41 SER H H 41 9.122 9.122 8.469 0.653 25827 3603 1 9 . 1 1 42 42 LEU N N 42 131.575 131.575 127.485 4.090 25827 3604 1 9 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.887 0.918 25827 3605 1 9 . 1 1 42 42 LEU C C 42 179.189 179.189 178.525 0.664 25827 3606 1 9 . 1 1 42 42 LEU CA C 42 58.262 58.262 58.014 0.249 25827 3607 1 9 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.020 -0.107 25827 3608 1 9 . 1 1 42 42 LEU H H 42 9.139 9.139 8.662 0.477 25827 3609 1 9 . 1 1 43 43 GLU N N 43 117.524 117.524 118.374 -0.850 25827 3610 1 9 . 1 1 43 43 GLU HA H 43 4.805 4.805 3.933 0.872 25827 3611 1 9 . 1 1 43 43 GLU C C 43 178.456 178.456 177.974 0.482 25827 3612 1 9 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.570 1.356 25827 3613 1 9 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.490 -0.173 25827 3614 1 9 . 1 1 43 43 GLU H H 43 9.041 9.041 8.434 0.607 25827 3615 1 9 . 1 1 44 44 GLN N N 44 113.278 113.278 117.186 -3.908 25827 3616 1 9 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.158 0.178 25827 3617 1 9 . 1 1 44 44 GLN C C 44 176.765 176.765 177.114 -0.349 25827 3618 1 9 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.591 -1.046 25827 3619 1 9 . 1 1 44 44 GLN CB C 44 29.601 29.601 28.975 0.626 25827 3620 1 9 . 1 1 44 44 GLN H H 44 7.651 7.651 8.036 -0.385 25827 3621 1 9 . 1 1 45 45 GLY N N 45 110.453 110.453 108.219 2.234 25827 3622 1 9 . 1 1 45 45 GLY C C 45 174.487 174.487 173.551 0.936 25827 3623 1 9 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.681 1.661 25827 3624 1 9 . 1 1 45 45 GLY H H 45 7.884 7.884 8.114 -0.230 25827 3625 1 9 . 1 1 46 46 SER N N 46 111.130 111.130 113.436 -2.306 25827 3626 1 9 . 1 1 46 46 SER HA H 46 5.412 5.412 5.598 -0.186 25827 3627 1 9 . 1 1 46 46 SER C C 46 171.503 171.503 172.275 -0.772 25827 3628 1 9 . 1 1 46 46 SER CA C 46 56.544 56.544 56.506 0.038 25827 3629 1 9 . 1 1 46 46 SER CB C 46 66.327 66.327 66.663 -0.336 25827 3630 1 9 . 1 1 46 46 SER H H 46 7.807 7.807 7.563 0.244 25827 3631 1 9 . 1 1 47 47 ALA N N 47 120.663 120.663 122.424 -1.761 25827 3632 1 9 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.865 0.430 25827 3633 1 9 . 1 1 47 47 ALA C C 47 175.806 175.806 175.642 0.164 25827 3634 1 9 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.774 -0.422 25827 3635 1 9 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.372 2.579 25827 3636 1 9 . 1 1 47 47 ALA H H 47 9.349 9.349 8.845 0.504 25827 3637 1 9 . 1 1 48 48 THR N N 48 117.344 117.344 120.420 -3.076 25827 3638 1 9 . 1 1 48 48 THR HA H 48 4.880 4.880 5.456 -0.576 25827 3639 1 9 . 1 1 48 48 THR C C 48 173.847 173.847 174.201 -0.354 25827 3640 1 9 . 1 1 48 48 THR CA C 48 62.163 62.163 61.777 0.386 25827 3641 1 9 . 1 1 48 48 THR CB C 48 69.698 69.698 69.671 0.027 25827 3642 1 9 . 1 1 48 48 THR H H 48 8.634 8.634 8.372 0.262 25827 3643 1 9 . 1 1 49 49 VAL N N 49 129.782 129.782 120.986 8.796 25827 3644 1 9 . 1 1 49 49 VAL HA H 49 4.858 4.858 5.041 -0.183 25827 3645 1 9 . 1 1 49 49 VAL C C 49 173.208 173.208 173.488 -0.280 25827 3646 1 9 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.173 0.687 25827 3647 1 9 . 1 1 49 49 VAL CB C 49 34.852 34.852 35.123 -0.271 25827 3648 1 9 . 1 1 49 49 VAL H H 49 9.400 9.400 9.164 0.236 25827 3649 1 9 . 1 1 50 50 LYS N N 50 128.107 128.107 124.752 3.355 25827 3650 1 9 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.415 0.509 25827 3651 1 9 . 1 1 50 50 LYS C C 50 176.671 176.671 174.848 1.823 25827 3652 1 9 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.986 0.066 25827 3653 1 9 . 1 1 50 50 LYS CB C 50 34.355 34.355 35.217 -0.862 25827 3654 1 9 . 1 1 50 50 LYS H H 50 8.997 8.997 8.764 0.233 25827 3655 1 9 . 1 1 51 51 TYR N N 51 124.310 124.310 121.417 2.893 25827 3656 1 9 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.829 0.722 25827 3657 1 9 . 1 1 51 51 TYR C C 51 171.343 171.343 172.905 -1.562 25827 3658 1 9 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.358 -0.866 25827 3659 1 9 . 1 1 51 51 TYR CB C 51 41.452 41.452 40.383 1.069 25827 3660 1 9 . 1 1 51 51 TYR H H 51 9.478 9.478 8.779 0.699 25827 3661 1 9 . 1 1 52 52 VAL N N 52 122.068 122.068 120.578 1.490 25827 3662 1 9 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.377 0.343 25827 3663 1 9 . 1 1 52 52 VAL C C 52 176.045 176.045 175.908 0.137 25827 3664 1 9 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.136 -0.556 25827 3665 1 9 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.326 1.362 25827 3666 1 9 . 1 1 52 52 VAL H H 52 8.702 8.702 8.175 0.527 25827 3667 1 9 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.828 -0.461 25827 3668 1 9 . 1 1 53 53 PRO C C 53 177.111 177.111 178.863 -1.752 25827 3669 1 9 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.253 -0.912 25827 3670 1 9 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.109 -0.169 25827 3671 1 9 . 1 1 54 54 SER N N 54 109.924 109.924 113.193 -3.269 25827 3672 1 9 . 1 1 54 54 SER HA H 54 4.345 4.345 4.245 0.100 25827 3673 1 9 . 1 1 54 54 SER C C 54 174.580 174.580 176.288 -1.708 25827 3674 1 9 . 1 1 54 54 SER CA C 54 59.726 59.726 60.796 -1.070 25827 3675 1 9 . 1 1 54 54 SER CB C 54 62.635 62.635 62.953 -0.318 25827 3676 1 9 . 1 1 54 54 SER H H 54 7.898 7.898 8.225 -0.327 25827 3677 1 9 . 1 1 55 55 VAL N N 55 121.919 121.919 120.319 1.600 25827 3678 1 9 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.879 0.244 25827 3679 1 9 . 1 1 55 55 VAL C C 55 174.607 174.607 176.657 -2.050 25827 3680 1 9 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.531 -0.810 25827 3681 1 9 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.344 2.224 25827 3682 1 9 . 1 1 55 55 VAL H H 55 8.163 8.163 7.531 0.632 25827 3683 1 9 . 1 1 56 56 VAL N N 56 121.380 121.380 118.010 3.370 25827 3684 1 9 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.220 0.351 25827 3685 1 9 . 1 1 56 56 VAL C C 56 170.477 170.477 174.564 -4.087 25827 3686 1 9 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.909 -1.076 25827 3687 1 9 . 1 1 56 56 VAL CB C 56 35.420 35.420 33.367 2.053 25827 3688 1 9 . 1 1 56 56 VAL H H 56 8.254 8.254 7.891 0.363 25827 3689 1 9 . 1 1 57 57 CYS N N 57 121.201 121.201 125.000 -3.799 25827 3690 1 9 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.990 0.114 25827 3691 1 9 . 1 1 57 57 CYS C C 57 176.591 176.591 176.445 0.146 25827 3692 1 9 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.133 -1.508 25827 3693 1 9 . 1 1 57 57 CYS CB C 57 30.878 30.878 29.579 1.299 25827 3694 1 9 . 1 1 57 57 CYS H H 57 7.885 7.885 8.804 -0.919 25827 3695 1 9 . 1 1 58 58 LEU N N 58 125.028 125.028 124.328 0.700 25827 3696 1 9 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.151 -0.523 25827 3697 1 9 . 1 1 58 58 LEU C C 58 179.335 179.335 179.557 -0.222 25827 3698 1 9 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.246 -0.841 25827 3699 1 9 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.801 -0.493 25827 3700 1 9 . 1 1 58 58 LEU H H 58 8.555 8.555 8.686 -0.131 25827 3701 1 9 . 1 1 59 59 GLN N N 59 120.812 120.812 117.633 3.179 25827 3702 1 9 . 1 1 59 59 GLN HA H 59 3.969 3.969 4.022 -0.053 25827 3703 1 9 . 1 1 59 59 GLN C C 59 178.629 178.629 178.578 0.051 25827 3704 1 9 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.165 0.588 25827 3705 1 9 . 1 1 59 59 GLN CB C 59 27.888 27.888 28.145 -0.257 25827 3706 1 9 . 1 1 59 59 GLN H H 59 9.081 9.081 8.617 0.464 25827 3707 1 9 . 1 1 60 60 GLN N N 60 120.513 120.513 119.855 0.658 25827 3708 1 9 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.099 0.062 25827 3709 1 9 . 1 1 60 60 GLN C C 60 179.002 179.002 178.369 0.633 25827 3710 1 9 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.651 0.236 25827 3711 1 9 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.505 0.244 25827 3712 1 9 . 1 1 60 60 GLN H H 60 7.793 7.793 7.567 0.226 25827 3713 1 9 . 1 1 61 61 VAL N N 61 119.886 119.886 119.804 0.082 25827 3714 1 9 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.963 -0.669 25827 3715 1 9 . 1 1 61 61 VAL C C 61 177.564 177.564 178.359 -0.795 25827 3716 1 9 . 1 1 61 61 VAL CA C 61 67.104 67.104 65.967 1.137 25827 3717 1 9 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.612 -0.379 25827 3718 1 9 . 1 1 61 61 VAL H H 61 7.359 7.359 7.874 -0.515 25827 3719 1 9 . 1 1 62 62 CYS N N 62 116.059 116.059 118.449 -2.390 25827 3720 1 9 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.062 -0.258 25827 3721 1 9 . 1 1 62 62 CYS C C 62 177.630 177.630 176.697 0.933 25827 3722 1 9 . 1 1 62 62 CYS CA C 62 64.667 64.667 63.052 1.615 25827 3723 1 9 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.351 0.162 25827 3724 1 9 . 1 1 62 62 CYS H H 62 8.034 8.034 8.023 0.011 25827 3725 1 9 . 1 1 63 63 HIS N N 63 121.440 121.440 120.218 1.222 25827 3726 1 9 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.154 0.269 25827 3727 1 9 . 1 1 63 63 HIS C C 63 178.097 178.097 177.499 0.598 25827 3728 1 9 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.514 -1.174 25827 3729 1 9 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.929 0.452 25827 3730 1 9 . 1 1 63 63 HIS H H 63 8.430 8.430 8.272 0.158 25827 3731 1 9 . 1 1 64 64 GLN N N 64 118.839 118.839 118.155 0.684 25827 3732 1 9 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.030 -0.003 25827 3733 1 9 . 1 1 64 64 GLN C C 64 178.536 178.536 178.653 -0.117 25827 3734 1 9 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.118 0.222 25827 3735 1 9 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.705 -0.595 25827 3736 1 9 . 1 1 64 64 GLN H H 64 8.102 8.102 8.026 0.076 25827 3737 1 9 . 1 1 65 65 ILE N N 65 119.228 119.228 119.704 -0.476 25827 3738 1 9 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.968 -0.283 25827 3739 1 9 . 1 1 65 65 ILE C C 65 178.656 178.656 177.374 1.282 25827 3740 1 9 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.055 2.997 25827 3741 1 9 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.187 0.178 25827 3742 1 9 . 1 1 65 65 ILE H H 65 7.858 7.858 7.482 0.376 25827 3743 1 9 . 1 1 66 66 GLY N N 66 109.453 109.453 108.477 0.976 25827 3744 1 9 . 1 1 66 66 GLY C C 66 178.643 178.643 175.625 3.018 25827 3745 1 9 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.423 -0.321 25827 3746 1 9 . 1 1 66 66 GLY H H 66 8.379 8.379 8.413 -0.034 25827 3747 1 9 . 1 1 67 67 ASP N N 67 123.114 123.114 120.262 2.852 25827 3748 1 9 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.373 0.091 25827 3749 1 9 . 1 1 67 67 ASP C C 67 177.497 177.497 177.548 -0.051 25827 3750 1 9 . 1 1 67 67 ASP CA C 67 56.557 56.557 55.910 0.647 25827 3751 1 9 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.327 0.770 25827 3752 1 9 . 1 1 67 67 ASP H H 67 8.091 8.091 7.721 0.370 25827 3753 1 9 . 1 1 68 68 MET N N 68 115.939 115.939 117.002 -1.063 25827 3754 1 9 . 1 1 68 68 MET HA H 68 4.297 4.297 4.313 -0.016 25827 3755 1 9 . 1 1 68 68 MET C C 68 175.739 175.739 176.942 -1.203 25827 3756 1 9 . 1 1 68 68 MET CA C 68 56.490 56.490 55.914 0.576 25827 3757 1 9 . 1 1 68 68 MET CB C 68 34.355 34.355 33.485 0.870 25827 3758 1 9 . 1 1 68 68 MET H H 68 7.576 7.576 7.553 0.023 25827 3759 1 9 . 1 1 69 69 GLY N N 69 104.775 104.775 105.014 -0.239 25827 3760 1 9 . 1 1 69 69 GLY C C 69 173.328 173.328 173.822 -0.494 25827 3761 1 9 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.283 0.502 25827 3762 1 9 . 1 1 69 69 GLY H H 69 7.880 7.880 7.443 0.437 25827 3763 1 9 . 1 1 70 70 PHE N N 70 118.809 118.809 121.231 -2.422 25827 3764 1 9 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.772 0.140 25827 3765 1 9 . 1 1 70 70 PHE C C 70 173.768 173.768 174.435 -0.667 25827 3766 1 9 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.904 -0.746 25827 3767 1 9 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.302 -0.666 25827 3768 1 9 . 1 1 70 70 PHE H H 70 6.905 6.905 7.467 -0.562 25827 3769 1 9 . 1 1 71 71 GLU N N 71 119.497 119.497 120.888 -1.391 25827 3770 1 9 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.689 -0.108 25827 3771 1 9 . 1 1 71 71 GLU C C 71 174.993 174.993 174.542 0.451 25827 3772 1 9 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.183 1.029 25827 3773 1 9 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.669 -0.294 25827 3774 1 9 . 1 1 71 71 GLU H H 71 8.081 8.081 8.312 -0.231 25827 3775 1 9 . 1 1 72 72 ALA N N 72 129.662 129.662 125.224 4.438 25827 3776 1 9 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.396 0.439 25827 3777 1 9 . 1 1 72 72 ALA C C 72 176.179 176.179 176.054 0.125 25827 3778 1 9 . 1 1 72 72 ALA CA C 72 49.992 49.992 51.019 -1.027 25827 3779 1 9 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.366 0.598 25827 3780 1 9 . 1 1 72 72 ALA H H 72 8.925 8.925 8.381 0.544 25827 3781 1 9 . 1 1 73 73 SER N N 73 114.042 114.042 116.065 -2.023 25827 3782 1 9 . 1 1 73 73 SER HA H 73 4.716 4.716 4.945 -0.229 25827 3783 1 9 . 1 1 73 73 SER C C 73 172.675 172.675 173.698 -1.023 25827 3784 1 9 . 1 1 73 73 SER CA C 73 57.156 57.156 56.998 0.158 25827 3785 1 9 . 1 1 73 73 SER CB C 73 65.581 65.581 66.351 -0.770 25827 3786 1 9 . 1 1 73 73 SER H H 73 8.794 8.794 8.857 -0.063 25827 3787 1 9 . 1 1 74 74 ILE N N 74 122.487 122.487 122.580 -0.093 25827 3788 1 9 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.183 -0.207 25827 3789 1 9 . 1 1 74 74 ILE C C 74 176.045 176.045 175.380 0.665 25827 3790 1 9 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.018 1.558 25827 3791 1 9 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.223 0.248 25827 3792 1 9 . 1 1 74 74 ILE H H 74 8.813 8.813 8.628 0.185 25827 3793 1 9 . 1 1 75 75 ALA N N 75 131.516 131.516 130.011 1.505 25827 3794 1 9 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.815 -0.351 25827 3795 1 9 . 1 1 75 75 ALA C C 75 176.045 176.045 175.546 0.499 25827 3796 1 9 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.234 1.995 25827 3797 1 9 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.241 -2.399 25827 3798 1 9 . 1 1 75 75 ALA H H 75 8.400 8.400 8.920 -0.520 25827 3799 1 10 . 1 1 2 2 GLY N N 2 109.659 109.659 108.815 0.844 25827 3800 1 10 . 1 1 2 2 GLY C C 2 174.061 174.061 173.876 0.185 25827 3801 1 10 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.880 0.771 25827 3802 1 10 . 1 1 2 2 GLY H H 2 8.539 8.539 8.209 0.330 25827 3803 1 10 . 1 1 3 3 HIS N N 3 120.603 120.603 122.751 -2.148 25827 3804 1 10 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.663 -0.254 25827 3805 1 10 . 1 1 3 3 HIS C C 3 176.072 176.072 174.484 1.588 25827 3806 1 10 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.961 0.050 25827 3807 1 10 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.570 2.792 25827 3808 1 10 . 1 1 3 3 HIS H H 3 8.030 8.030 8.541 -0.511 25827 3809 1 10 . 1 1 4 4 MET N N 4 124.310 124.310 124.322 -0.012 25827 3810 1 10 . 1 1 4 4 MET C C 4 176.179 176.179 175.207 0.972 25827 3811 1 10 . 1 1 4 4 MET CA C 4 61.071 61.071 55.113 5.958 25827 3812 1 10 . 1 1 4 4 MET CB C 4 38.720 38.720 34.948 3.772 25827 3813 1 10 . 1 1 4 4 MET H H 4 8.410 8.410 8.598 -0.188 25827 3814 1 10 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.664 -0.368 25827 3815 1 10 . 1 1 5 5 GLN C C 5 174.687 174.687 175.391 -0.704 25827 3816 1 10 . 1 1 5 5 GLN CA C 5 56.218 56.218 55.552 0.666 25827 3817 1 10 . 1 1 5 5 GLN CB C 5 29.561 29.561 28.249 1.312 25827 3818 1 10 . 1 1 6 6 VAL N N 6 120.095 120.095 118.747 1.348 25827 3819 1 10 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.512 -0.165 25827 3820 1 10 . 1 1 6 6 VAL C C 6 174.807 174.807 174.380 0.427 25827 3821 1 10 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.252 1.167 25827 3822 1 10 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.612 -0.292 25827 3823 1 10 . 1 1 6 6 VAL H H 6 7.942 7.942 7.902 0.040 25827 3824 1 10 . 1 1 7 7 ALA N N 7 130.230 130.230 127.733 2.497 25827 3825 1 10 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.929 -0.294 25827 3826 1 10 . 1 1 7 7 ALA C C 7 174.913 174.913 175.786 -0.873 25827 3827 1 10 . 1 1 7 7 ALA CA C 7 50.684 50.684 51.405 -0.721 25827 3828 1 10 . 1 1 7 7 ALA CB C 7 21.637 21.637 22.059 -0.422 25827 3829 1 10 . 1 1 7 7 ALA H H 7 8.952 8.952 8.343 0.609 25827 3830 1 10 . 1 1 8 8 THR N N 8 114.219 114.219 112.829 1.390 25827 3831 1 10 . 1 1 8 8 THR HA H 8 5.594 5.594 5.496 0.098 25827 3832 1 10 . 1 1 8 8 THR C C 8 174.846 174.846 173.356 1.490 25827 3833 1 10 . 1 1 8 8 THR CA C 8 61.524 61.524 59.205 2.319 25827 3834 1 10 . 1 1 8 8 THR CB C 8 71.228 71.228 71.920 -0.692 25827 3835 1 10 . 1 1 8 8 THR H H 8 8.211 8.211 8.218 -0.007 25827 3836 1 10 . 1 1 9 9 SER N N 9 121.231 121.231 116.330 4.901 25827 3837 1 10 . 1 1 9 9 SER HA H 9 5.049 5.049 5.192 -0.143 25827 3838 1 10 . 1 1 9 9 SER C C 9 172.023 172.023 172.921 -0.898 25827 3839 1 10 . 1 1 9 9 SER CA C 9 57.822 57.822 57.650 0.172 25827 3840 1 10 . 1 1 9 9 SER CB C 9 67.178 67.178 66.344 0.834 25827 3841 1 10 . 1 1 9 9 SER H H 9 9.329 9.329 8.813 0.516 25827 3842 1 10 . 1 1 10 10 THR N N 10 119.646 119.646 113.374 6.272 25827 3843 1 10 . 1 1 10 10 THR HA H 10 5.423 5.423 5.440 -0.017 25827 3844 1 10 . 1 1 10 10 THR C C 10 173.754 173.754 172.982 0.772 25827 3845 1 10 . 1 1 10 10 THR CA C 10 61.591 61.591 60.385 1.206 25827 3846 1 10 . 1 1 10 10 THR CB C 10 70.230 70.230 71.405 -1.175 25827 3847 1 10 . 1 1 10 10 THR H H 10 8.790 8.790 8.982 -0.192 25827 3848 1 10 . 1 1 11 11 VAL N N 11 122.726 122.726 124.316 -1.590 25827 3849 1 10 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.337 -0.649 25827 3850 1 10 . 1 1 11 11 VAL C C 11 174.940 174.940 173.867 1.073 25827 3851 1 10 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.055 0.432 25827 3852 1 10 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.322 -0.115 25827 3853 1 10 . 1 1 11 11 VAL H H 11 8.973 8.973 9.209 -0.236 25827 3854 1 10 . 1 1 12 12 ARG N N 12 127.240 127.240 128.522 -1.282 25827 3855 1 10 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.518 0.033 25827 3856 1 10 . 1 1 12 12 ARG C C 12 175.632 175.632 175.322 0.310 25827 3857 1 10 . 1 1 12 12 ARG CA C 12 55.731 55.731 55.309 0.422 25827 3858 1 10 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.176 -0.156 25827 3859 1 10 . 1 1 12 12 ARG H H 12 9.274 9.274 8.770 0.504 25827 3860 1 10 . 1 1 13 13 ILE N N 13 123.234 123.234 118.387 4.847 25827 3861 1 10 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.864 -0.123 25827 3862 1 10 . 1 1 13 13 ILE C C 13 174.540 174.540 174.345 0.195 25827 3863 1 10 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.694 1.284 25827 3864 1 10 . 1 1 13 13 ILE CB C 13 41.487 41.487 39.747 1.740 25827 3865 1 10 . 1 1 13 13 ILE H H 13 8.210 8.210 8.693 -0.483 25827 3866 1 10 . 1 1 14 14 LEU N N 14 128.287 128.287 129.219 -0.932 25827 3867 1 10 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.789 -0.024 25827 3868 1 10 . 1 1 14 14 LEU C C 14 177.391 177.391 174.838 2.553 25827 3869 1 10 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.270 -0.163 25827 3870 1 10 . 1 1 14 14 LEU CB C 14 43.616 43.616 45.028 -1.412 25827 3871 1 10 . 1 1 14 14 LEU H H 14 9.146 9.146 8.970 0.176 25827 3872 1 10 . 1 1 15 15 GLY N N 15 107.835 107.835 109.949 -2.114 25827 3873 1 10 . 1 1 15 15 GLY C C 15 175.726 175.726 174.391 1.335 25827 3874 1 10 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.505 -0.161 25827 3875 1 10 . 1 1 15 15 GLY H H 15 8.515 8.515 8.052 0.463 25827 3876 1 10 . 1 1 16 16 MET N N 16 120.244 120.244 119.027 1.217 25827 3877 1 10 . 1 1 16 16 MET HA H 16 4.699 4.699 4.386 0.313 25827 3878 1 10 . 1 1 16 16 MET C C 16 177.404 177.404 176.916 0.488 25827 3879 1 10 . 1 1 16 16 MET CA C 16 57.116 57.116 57.917 -0.801 25827 3880 1 10 . 1 1 16 16 MET CB C 16 34.852 34.852 33.004 1.848 25827 3881 1 10 . 1 1 16 16 MET H H 16 8.925 8.925 8.731 0.194 25827 3882 1 10 . 1 1 17 17 THR C C 17 174.700 174.700 175.072 -0.372 25827 3883 1 10 . 1 1 17 17 THR CA C 17 62.736 62.736 60.315 2.421 25827 3884 1 10 . 1 1 17 17 THR CB C 17 64.427 64.427 69.856 -5.429 25827 3885 1 10 . 1 1 18 18 CYS N N 18 120.513 120.513 125.500 -4.987 25827 3886 1 10 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.235 0.188 25827 3887 1 10 . 1 1 18 18 CYS C C 18 177.431 177.431 176.434 0.997 25827 3888 1 10 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.463 -4.956 25827 3889 1 10 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.555 14.709 25827 3890 1 10 . 1 1 18 18 CYS H H 18 8.691 8.691 9.016 -0.325 25827 3891 1 10 . 1 1 19 19 GLN N N 19 121.231 121.231 121.201 0.030 25827 3892 1 10 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.950 0.388 25827 3893 1 10 . 1 1 19 19 GLN C C 19 175.832 175.832 177.762 -1.930 25827 3894 1 10 . 1 1 19 19 GLN CA C 19 56.583 56.583 58.988 -2.405 25827 3895 1 10 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.199 2.479 25827 3896 1 10 . 1 1 19 19 GLN H H 19 8.342 8.342 8.307 0.035 25827 3897 1 10 . 1 1 20 20 SER N N 20 116.089 116.089 115.614 0.475 25827 3898 1 10 . 1 1 20 20 SER HA H 20 4.381 4.381 4.212 0.169 25827 3899 1 10 . 1 1 20 20 SER C C 20 177.004 177.004 176.363 0.641 25827 3900 1 10 . 1 1 20 20 SER H H 20 7.953 7.953 8.380 -0.427 25827 3901 1 10 . 1 1 21 21 CYS N N 21 125.147 125.147 119.069 6.078 25827 3902 1 10 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.721 0.361 25827 3903 1 10 . 1 1 21 21 CYS C C 21 177.004 177.004 176.581 0.423 25827 3904 1 10 . 1 1 21 21 CYS CA C 21 63.162 63.162 59.718 3.444 25827 3905 1 10 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.645 3.209 25827 3906 1 10 . 1 1 21 21 CYS H H 21 7.854 7.854 7.252 0.602 25827 3907 1 10 . 1 1 22 22 VAL N N 22 118.062 118.062 122.872 -4.810 25827 3908 1 10 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.414 0.938 25827 3909 1 10 . 1 1 22 22 VAL C C 22 177.178 177.178 177.951 -0.773 25827 3910 1 10 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.828 -0.283 25827 3911 1 10 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.359 0.371 25827 3912 1 10 . 1 1 22 22 VAL H H 22 6.834 6.834 7.735 -0.901 25827 3913 1 10 . 1 1 23 23 LYS N N 23 117.823 117.823 119.964 -2.141 25827 3914 1 10 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.934 0.148 25827 3915 1 10 . 1 1 23 23 LYS C C 23 178.456 178.456 179.261 -0.805 25827 3916 1 10 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.160 -1.366 25827 3917 1 10 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.131 0.308 25827 3918 1 10 . 1 1 23 23 LYS H H 23 7.936 7.936 8.456 -0.520 25827 3919 1 10 . 1 1 24 24 SER N N 24 113.895 113.895 115.515 -1.620 25827 3920 1 10 . 1 1 24 24 SER HA H 24 4.068 4.068 4.206 -0.138 25827 3921 1 10 . 1 1 24 24 SER C C 24 177.364 177.364 176.686 0.678 25827 3922 1 10 . 1 1 24 24 SER CA C 24 62.017 62.017 62.272 -0.255 25827 3923 1 10 . 1 1 24 24 SER CB C 24 62.600 62.600 63.088 -0.488 25827 3924 1 10 . 1 1 24 24 SER H H 24 8.062 8.062 7.834 0.228 25827 3925 1 10 . 1 1 25 25 ILE N N 25 122.845 122.845 118.159 4.686 25827 3926 1 10 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.994 -0.452 25827 3927 1 10 . 1 1 25 25 ILE C C 25 177.537 177.537 177.234 0.303 25827 3928 1 10 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.104 1.908 25827 3929 1 10 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.697 1.094 25827 3930 1 10 . 1 1 25 25 ILE H H 25 7.888 7.888 7.811 0.077 25827 3931 1 10 . 1 1 26 26 GLU N N 26 118.630 118.630 122.957 -4.327 25827 3932 1 10 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.944 -0.316 25827 3933 1 10 . 1 1 26 26 GLU C C 26 180.041 180.041 178.771 1.270 25827 3934 1 10 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.691 1.486 25827 3935 1 10 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.670 -0.069 25827 3936 1 10 . 1 1 26 26 GLU H H 26 8.519 8.519 8.678 -0.159 25827 3937 1 10 . 1 1 27 27 ASP N N 27 119.676 119.676 119.654 0.022 25827 3938 1 10 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.397 -0.059 25827 3939 1 10 . 1 1 27 27 ASP C C 27 178.070 178.070 178.760 -0.690 25827 3940 1 10 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.364 0.166 25827 3941 1 10 . 1 1 27 27 ASP CB C 27 40.423 40.423 41.005 -0.582 25827 3942 1 10 . 1 1 27 27 ASP H H 27 8.973 8.973 7.909 1.064 25827 3943 1 10 . 1 1 28 28 ARG N N 28 118.092 118.092 118.831 -0.739 25827 3944 1 10 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.117 0.064 25827 3945 1 10 . 1 1 28 28 ARG C C 28 179.296 179.296 179.073 0.223 25827 3946 1 10 . 1 1 28 28 ARG CA C 28 58.595 58.595 59.083 -0.488 25827 3947 1 10 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.478 -0.168 25827 3948 1 10 . 1 1 28 28 ARG H H 28 7.630 7.630 7.364 0.266 25827 3949 1 10 . 1 1 29 29 ILE N N 29 116.597 116.597 119.992 -3.395 25827 3950 1 10 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.782 0.165 25827 3951 1 10 . 1 1 29 29 ILE C C 29 177.777 177.777 178.216 -0.439 25827 3952 1 10 . 1 1 29 29 ILE CA C 29 60.685 60.685 65.100 -4.415 25827 3953 1 10 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.902 -2.624 25827 3954 1 10 . 1 1 29 29 ILE H H 29 8.427 8.427 8.577 -0.150 25827 3955 1 10 . 1 1 30 30 SER N N 30 113.160 113.160 116.105 -2.945 25827 3956 1 10 . 1 1 30 30 SER HA H 30 4.049 4.049 4.228 -0.179 25827 3957 1 10 . 1 1 30 30 SER C C 30 173.941 173.941 175.835 -1.894 25827 3958 1 10 . 1 1 30 30 SER CA C 30 62.110 62.110 61.575 0.534 25827 3959 1 10 . 1 1 30 30 SER CB C 30 62.884 62.884 63.123 -0.240 25827 3960 1 10 . 1 1 30 30 SER H H 30 8.236 8.236 8.272 -0.036 25827 3961 1 10 . 1 1 31 31 ASN N N 31 115.520 115.520 118.835 -3.315 25827 3962 1 10 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.642 0.132 25827 3963 1 10 . 1 1 31 31 ASN C C 31 175.046 175.046 175.783 -0.737 25827 3964 1 10 . 1 1 31 31 ASN CA C 31 53.547 53.547 53.972 -0.425 25827 3965 1 10 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.979 1.018 25827 3966 1 10 . 1 1 31 31 ASN H H 31 6.919 6.919 7.642 -0.723 25827 3967 1 10 . 1 1 32 32 LEU N N 32 122.666 122.666 120.951 1.715 25827 3968 1 10 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.381 -0.045 25827 3969 1 10 . 1 1 32 32 LEU C C 32 177.071 177.071 176.566 0.505 25827 3970 1 10 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.718 0.121 25827 3971 1 10 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.898 -1.091 25827 3972 1 10 . 1 1 32 32 LEU H H 32 7.620 7.620 7.350 0.270 25827 3973 1 10 . 1 1 33 33 LYS N N 33 125.955 125.955 121.898 4.057 25827 3974 1 10 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.269 -0.215 25827 3975 1 10 . 1 1 33 33 LYS C C 33 176.698 176.698 177.190 -0.492 25827 3976 1 10 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.836 1.146 25827 3977 1 10 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.969 -1.027 25827 3978 1 10 . 1 1 33 33 LYS H H 33 8.451 8.451 8.614 -0.163 25827 3979 1 10 . 1 1 34 34 GLY N N 34 110.541 110.541 112.842 -2.301 25827 3980 1 10 . 1 1 34 34 GLY C C 34 173.381 173.381 172.704 0.677 25827 3981 1 10 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.500 1.044 25827 3982 1 10 . 1 1 34 34 GLY H H 34 8.616 8.616 8.710 -0.094 25827 3983 1 10 . 1 1 35 35 ILE N N 35 119.258 119.258 119.983 -0.725 25827 3984 1 10 . 1 1 35 35 ILE HA H 35 4.272 4.272 3.860 0.412 25827 3985 1 10 . 1 1 35 35 ILE C C 35 176.352 176.352 175.049 1.303 25827 3986 1 10 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.112 -2.504 25827 3987 1 10 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.231 -3.202 25827 3988 1 10 . 1 1 35 35 ILE H H 35 7.580 7.580 7.196 0.384 25827 3989 1 10 . 1 1 36 36 ILE N N 36 130.708 130.708 129.536 1.172 25827 3990 1 10 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.143 -0.062 25827 3991 1 10 . 1 1 36 36 ILE C C 36 176.298 176.298 176.189 0.109 25827 3992 1 10 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.739 -0.948 25827 3993 1 10 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.052 -0.900 25827 3994 1 10 . 1 1 36 36 ILE H H 36 9.244 9.244 8.444 0.800 25827 3995 1 10 . 1 1 37 37 SER N N 37 111.336 111.336 112.002 -0.666 25827 3996 1 10 . 1 1 37 37 SER HA H 37 4.613 4.613 4.817 -0.204 25827 3997 1 10 . 1 1 37 37 SER C C 37 171.809 171.809 172.426 -0.617 25827 3998 1 10 . 1 1 37 37 SER CA C 37 57.636 57.636 57.738 -0.102 25827 3999 1 10 . 1 1 37 37 SER CB C 37 64.729 64.729 65.347 -0.618 25827 4000 1 10 . 1 1 37 37 SER H H 37 8.002 8.002 7.919 0.083 25827 4001 1 10 . 1 1 38 38 MET N N 38 123.742 123.742 115.970 7.772 25827 4002 1 10 . 1 1 38 38 MET HA H 38 5.006 5.006 5.482 -0.476 25827 4003 1 10 . 1 1 38 38 MET C C 38 172.755 172.755 174.083 -1.328 25827 4004 1 10 . 1 1 38 38 MET CA C 38 54.719 54.719 54.740 -0.021 25827 4005 1 10 . 1 1 38 38 MET CB C 38 35.562 35.562 37.596 -2.034 25827 4006 1 10 . 1 1 38 38 MET H H 38 8.651 8.651 8.404 0.247 25827 4007 1 10 . 1 1 39 39 LYS N N 39 126.343 126.343 121.474 4.869 25827 4008 1 10 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.732 0.222 25827 4009 1 10 . 1 1 39 39 LYS C C 39 175.872 175.872 173.896 1.976 25827 4010 1 10 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.328 -1.421 25827 4011 1 10 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.712 -2.108 25827 4012 1 10 . 1 1 39 39 LYS H H 39 8.173 8.173 9.104 -0.931 25827 4013 1 10 . 1 1 40 40 VAL N N 40 131.217 131.217 124.872 6.345 25827 4014 1 10 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.232 0.035 25827 4015 1 10 . 1 1 40 40 VAL C C 40 174.327 174.327 174.757 -0.430 25827 4016 1 10 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.925 -0.026 25827 4017 1 10 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.219 -0.603 25827 4018 1 10 . 1 1 40 40 VAL H H 40 10.339 10.339 8.456 1.883 25827 4019 1 10 . 1 1 41 41 SER N N 41 121.440 121.440 122.112 -0.672 25827 4020 1 10 . 1 1 41 41 SER HA H 41 4.878 4.878 4.766 0.112 25827 4021 1 10 . 1 1 41 41 SER C C 41 175.179 175.179 174.737 0.442 25827 4022 1 10 . 1 1 41 41 SER CA C 41 55.359 55.359 56.340 -0.981 25827 4023 1 10 . 1 1 41 41 SER CB C 41 63.381 63.381 63.227 0.154 25827 4024 1 10 . 1 1 41 41 SER H H 41 9.122 9.122 8.829 0.293 25827 4025 1 10 . 1 1 42 42 LEU N N 42 131.575 131.575 129.687 1.888 25827 4026 1 10 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.107 0.698 25827 4027 1 10 . 1 1 42 42 LEU C C 42 179.189 179.189 178.500 0.689 25827 4028 1 10 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.182 1.080 25827 4029 1 10 . 1 1 42 42 LEU CB C 42 41.913 41.913 41.888 0.025 25827 4030 1 10 . 1 1 42 42 LEU H H 42 9.139 9.139 8.696 0.443 25827 4031 1 10 . 1 1 43 43 GLU N N 43 117.524 117.524 118.516 -0.992 25827 4032 1 10 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.140 0.665 25827 4033 1 10 . 1 1 43 43 GLU C C 43 178.456 178.456 177.964 0.492 25827 4034 1 10 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.579 1.347 25827 4035 1 10 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.411 -0.094 25827 4036 1 10 . 1 1 43 43 GLU H H 43 9.041 9.041 8.292 0.749 25827 4037 1 10 . 1 1 44 44 GLN N N 44 113.278 113.278 115.646 -2.368 25827 4038 1 10 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.408 -0.072 25827 4039 1 10 . 1 1 44 44 GLN C C 44 176.765 176.765 176.586 0.179 25827 4040 1 10 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.663 -0.118 25827 4041 1 10 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.847 -0.246 25827 4042 1 10 . 1 1 44 44 GLN H H 44 7.651 7.651 7.718 -0.067 25827 4043 1 10 . 1 1 45 45 GLY N N 45 110.453 110.453 109.060 1.393 25827 4044 1 10 . 1 1 45 45 GLY C C 45 174.487 174.487 173.558 0.929 25827 4045 1 10 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.835 1.507 25827 4046 1 10 . 1 1 45 45 GLY H H 45 7.884 7.884 7.979 -0.095 25827 4047 1 10 . 1 1 46 46 SER N N 46 111.130 111.130 115.130 -4.000 25827 4048 1 10 . 1 1 46 46 SER HA H 46 5.412 5.412 5.373 0.039 25827 4049 1 10 . 1 1 46 46 SER C C 46 171.503 171.503 172.229 -0.726 25827 4050 1 10 . 1 1 46 46 SER CA C 46 56.544 56.544 56.954 -0.410 25827 4051 1 10 . 1 1 46 46 SER CB C 46 66.327 66.327 67.134 -0.807 25827 4052 1 10 . 1 1 46 46 SER H H 46 7.807 7.807 7.700 0.107 25827 4053 1 10 . 1 1 47 47 ALA N N 47 120.663 120.663 123.682 -3.019 25827 4054 1 10 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.109 0.186 25827 4055 1 10 . 1 1 47 47 ALA C C 47 175.806 175.806 175.829 -0.023 25827 4056 1 10 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.171 0.181 25827 4057 1 10 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.282 2.669 25827 4058 1 10 . 1 1 47 47 ALA H H 47 9.349 9.349 9.184 0.165 25827 4059 1 10 . 1 1 48 48 THR N N 48 117.344 117.344 119.131 -1.787 25827 4060 1 10 . 1 1 48 48 THR HA H 48 4.880 4.880 5.359 -0.479 25827 4061 1 10 . 1 1 48 48 THR C C 48 173.847 173.847 173.241 0.606 25827 4062 1 10 . 1 1 48 48 THR CA C 48 62.163 62.163 61.783 0.380 25827 4063 1 10 . 1 1 48 48 THR CB C 48 69.698 69.698 70.496 -0.798 25827 4064 1 10 . 1 1 48 48 THR H H 48 8.634 8.634 9.028 -0.394 25827 4065 1 10 . 1 1 49 49 VAL N N 49 129.782 129.782 126.217 3.565 25827 4066 1 10 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.727 0.131 25827 4067 1 10 . 1 1 49 49 VAL C C 49 173.208 173.208 173.034 0.174 25827 4068 1 10 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.572 0.288 25827 4069 1 10 . 1 1 49 49 VAL CB C 49 34.852 34.852 35.105 -0.253 25827 4070 1 10 . 1 1 49 49 VAL H H 49 9.400 9.400 9.251 0.149 25827 4071 1 10 . 1 1 50 50 LYS N N 50 128.107 128.107 129.211 -1.104 25827 4072 1 10 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.150 0.774 25827 4073 1 10 . 1 1 50 50 LYS C C 50 176.671 176.671 174.510 2.161 25827 4074 1 10 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.041 0.011 25827 4075 1 10 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.139 0.216 25827 4076 1 10 . 1 1 50 50 LYS H H 50 8.997 8.997 9.032 -0.035 25827 4077 1 10 . 1 1 51 51 TYR N N 51 124.310 124.310 126.224 -1.914 25827 4078 1 10 . 1 1 51 51 TYR HA H 51 5.551 5.551 5.073 0.478 25827 4079 1 10 . 1 1 51 51 TYR C C 51 171.343 171.343 173.490 -2.147 25827 4080 1 10 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.830 -1.337 25827 4081 1 10 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.869 -2.417 25827 4082 1 10 . 1 1 51 51 TYR H H 51 9.478 9.478 9.114 0.364 25827 4083 1 10 . 1 1 52 52 VAL N N 52 122.068 122.068 122.322 -0.254 25827 4084 1 10 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.498 0.222 25827 4085 1 10 . 1 1 52 52 VAL C C 52 176.045 176.045 174.101 1.944 25827 4086 1 10 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.519 0.061 25827 4087 1 10 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.662 1.026 25827 4088 1 10 . 1 1 52 52 VAL H H 52 8.702 8.702 7.807 0.895 25827 4089 1 10 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.742 -0.375 25827 4090 1 10 . 1 1 53 53 PRO C C 53 177.111 177.111 178.199 -1.088 25827 4091 1 10 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.047 -0.706 25827 4092 1 10 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.105 -0.165 25827 4093 1 10 . 1 1 54 54 SER N N 54 109.924 109.924 113.170 -3.246 25827 4094 1 10 . 1 1 54 54 SER HA H 54 4.345 4.345 4.252 0.093 25827 4095 1 10 . 1 1 54 54 SER C C 54 174.580 174.580 175.794 -1.214 25827 4096 1 10 . 1 1 54 54 SER CA C 54 59.726 59.726 60.713 -0.987 25827 4097 1 10 . 1 1 54 54 SER CB C 54 62.635 62.635 62.752 -0.117 25827 4098 1 10 . 1 1 54 54 SER H H 54 7.898 7.898 8.447 -0.549 25827 4099 1 10 . 1 1 55 55 VAL N N 55 121.919 121.919 120.069 1.850 25827 4100 1 10 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.894 0.229 25827 4101 1 10 . 1 1 55 55 VAL C C 55 174.607 174.607 176.047 -1.440 25827 4102 1 10 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.985 -1.264 25827 4103 1 10 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.643 1.925 25827 4104 1 10 . 1 1 55 55 VAL H H 55 8.163 8.163 7.627 0.536 25827 4105 1 10 . 1 1 56 56 VAL N N 56 121.380 121.380 115.760 5.620 25827 4106 1 10 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.425 0.146 25827 4107 1 10 . 1 1 56 56 VAL C C 56 170.477 170.477 173.830 -3.353 25827 4108 1 10 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.396 -0.563 25827 4109 1 10 . 1 1 56 56 VAL CB C 56 35.420 35.420 35.547 -0.127 25827 4110 1 10 . 1 1 56 56 VAL H H 56 8.254 8.254 7.768 0.486 25827 4111 1 10 . 1 1 57 57 CYS N N 57 121.201 121.201 123.880 -2.679 25827 4112 1 10 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.548 0.556 25827 4113 1 10 . 1 1 57 57 CYS C C 57 176.591 176.591 175.923 0.668 25827 4114 1 10 . 1 1 57 57 CYS CA C 57 55.625 55.625 58.124 -2.499 25827 4115 1 10 . 1 1 57 57 CYS CB C 57 30.878 30.878 27.723 3.155 25827 4116 1 10 . 1 1 57 57 CYS H H 57 7.885 7.885 8.483 -0.598 25827 4117 1 10 . 1 1 58 58 LEU N N 58 125.028 125.028 123.382 1.646 25827 4118 1 10 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.896 -0.268 25827 4119 1 10 . 1 1 58 58 LEU C C 58 179.335 179.335 178.216 1.119 25827 4120 1 10 . 1 1 58 58 LEU CA C 58 57.405 57.405 56.633 0.772 25827 4121 1 10 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.250 0.058 25827 4122 1 10 . 1 1 58 58 LEU H H 58 8.555 8.555 8.621 -0.066 25827 4123 1 10 . 1 1 59 59 GLN N N 59 120.812 120.812 118.810 2.002 25827 4124 1 10 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.748 0.221 25827 4125 1 10 . 1 1 59 59 GLN C C 59 178.629 178.629 178.175 0.454 25827 4126 1 10 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.890 0.863 25827 4127 1 10 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.991 -0.103 25827 4128 1 10 . 1 1 59 59 GLN H H 59 9.081 9.081 8.531 0.550 25827 4129 1 10 . 1 1 60 60 GLN N N 60 120.513 120.513 117.888 2.625 25827 4130 1 10 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.150 0.011 25827 4131 1 10 . 1 1 60 60 GLN C C 60 179.002 179.002 178.457 0.545 25827 4132 1 10 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.449 0.438 25827 4133 1 10 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.227 0.523 25827 4134 1 10 . 1 1 60 60 GLN H H 60 7.793 7.793 7.595 0.198 25827 4135 1 10 . 1 1 61 61 VAL N N 61 119.886 119.886 120.437 -0.551 25827 4136 1 10 . 1 1 61 61 VAL HA H 61 3.294 3.294 4.026 -0.732 25827 4137 1 10 . 1 1 61 61 VAL C C 61 177.564 177.564 178.504 -0.940 25827 4138 1 10 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.175 0.929 25827 4139 1 10 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.085 0.148 25827 4140 1 10 . 1 1 61 61 VAL H H 61 7.359 7.359 7.226 0.133 25827 4141 1 10 . 1 1 62 62 CYS N N 62 116.059 116.059 119.704 -3.645 25827 4142 1 10 . 1 1 62 62 CYS HA H 62 3.804 3.804 3.951 -0.147 25827 4143 1 10 . 1 1 62 62 CYS C C 62 177.630 177.630 176.466 1.164 25827 4144 1 10 . 1 1 62 62 CYS CA C 62 64.667 64.667 62.506 2.161 25827 4145 1 10 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.261 0.252 25827 4146 1 10 . 1 1 62 62 CYS H H 62 8.034 8.034 7.584 0.450 25827 4147 1 10 . 1 1 63 63 HIS N N 63 121.440 121.440 118.463 2.977 25827 4148 1 10 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.164 0.259 25827 4149 1 10 . 1 1 63 63 HIS C C 63 178.097 178.097 177.900 0.197 25827 4150 1 10 . 1 1 63 63 HIS CA C 63 59.340 59.340 59.047 0.293 25827 4151 1 10 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.746 0.635 25827 4152 1 10 . 1 1 63 63 HIS H H 63 8.430 8.430 7.798 0.632 25827 4153 1 10 . 1 1 64 64 GLN N N 64 118.839 118.839 119.191 -0.352 25827 4154 1 10 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.027 0.000 25827 4155 1 10 . 1 1 64 64 GLN C C 64 178.536 178.536 178.523 0.013 25827 4156 1 10 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.150 0.190 25827 4157 1 10 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.723 -0.613 25827 4158 1 10 . 1 1 64 64 GLN H H 64 8.102 8.102 8.054 0.048 25827 4159 1 10 . 1 1 65 65 ILE N N 65 119.228 119.228 120.053 -0.825 25827 4160 1 10 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.931 -0.246 25827 4161 1 10 . 1 1 65 65 ILE C C 65 178.656 178.656 177.517 1.139 25827 4162 1 10 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.678 2.374 25827 4163 1 10 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.109 0.256 25827 4164 1 10 . 1 1 65 65 ILE H H 65 7.858 7.858 7.558 0.300 25827 4165 1 10 . 1 1 66 66 GLY N N 66 109.453 109.453 107.837 1.616 25827 4166 1 10 . 1 1 66 66 GLY C C 66 178.643 178.643 176.306 2.337 25827 4167 1 10 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.372 -0.270 25827 4168 1 10 . 1 1 66 66 GLY H H 66 8.379 8.379 8.165 0.214 25827 4169 1 10 . 1 1 67 67 ASP N N 67 123.114 123.114 121.933 1.181 25827 4170 1 10 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.434 0.030 25827 4171 1 10 . 1 1 67 67 ASP C C 67 177.497 177.497 177.864 -0.367 25827 4172 1 10 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.848 -0.291 25827 4173 1 10 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.997 0.100 25827 4174 1 10 . 1 1 67 67 ASP H H 67 8.091 8.091 8.411 -0.320 25827 4175 1 10 . 1 1 68 68 MET N N 68 115.939 115.939 115.857 0.082 25827 4176 1 10 . 1 1 68 68 MET HA H 68 4.297 4.297 4.572 -0.275 25827 4177 1 10 . 1 1 68 68 MET C C 68 175.739 175.739 176.731 -0.992 25827 4178 1 10 . 1 1 68 68 MET CA C 68 56.490 56.490 54.657 1.833 25827 4179 1 10 . 1 1 68 68 MET CB C 68 34.355 34.355 32.671 1.684 25827 4180 1 10 . 1 1 68 68 MET H H 68 7.576 7.576 7.491 0.085 25827 4181 1 10 . 1 1 69 69 GLY N N 69 104.775 104.775 106.473 -1.698 25827 4182 1 10 . 1 1 69 69 GLY C C 69 173.328 173.328 174.051 -0.723 25827 4183 1 10 . 1 1 69 69 GLY CA C 69 44.785 44.785 45.139 -0.354 25827 4184 1 10 . 1 1 69 69 GLY H H 69 7.880 7.880 7.843 0.037 25827 4185 1 10 . 1 1 70 70 PHE N N 70 118.809 118.809 119.746 -0.937 25827 4186 1 10 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.741 0.171 25827 4187 1 10 . 1 1 70 70 PHE C C 70 173.768 173.768 174.877 -1.109 25827 4188 1 10 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.997 -0.839 25827 4189 1 10 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.311 -0.675 25827 4190 1 10 . 1 1 70 70 PHE H H 70 6.905 6.905 7.709 -0.804 25827 4191 1 10 . 1 1 71 71 GLU N N 71 119.497 119.497 122.120 -2.623 25827 4192 1 10 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.530 0.051 25827 4193 1 10 . 1 1 71 71 GLU C C 71 174.993 174.993 174.964 0.029 25827 4194 1 10 . 1 1 71 71 GLU CA C 71 56.212 56.212 56.400 -0.188 25827 4195 1 10 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.428 -0.053 25827 4196 1 10 . 1 1 71 71 GLU H H 71 8.081 8.081 8.334 -0.253 25827 4197 1 10 . 1 1 72 72 ALA N N 72 129.662 129.662 126.267 3.395 25827 4198 1 10 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.395 0.440 25827 4199 1 10 . 1 1 72 72 ALA C C 72 176.179 176.179 176.252 -0.073 25827 4200 1 10 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.920 -0.928 25827 4201 1 10 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.533 0.431 25827 4202 1 10 . 1 1 72 72 ALA H H 72 8.925 8.925 8.374 0.551 25827 4203 1 10 . 1 1 73 73 SER N N 73 114.042 114.042 116.383 -2.341 25827 4204 1 10 . 1 1 73 73 SER HA H 73 4.716 4.716 4.850 -0.134 25827 4205 1 10 . 1 1 73 73 SER C C 73 172.675 172.675 173.072 -0.397 25827 4206 1 10 . 1 1 73 73 SER CA C 73 57.156 57.156 57.746 -0.590 25827 4207 1 10 . 1 1 73 73 SER CB C 73 65.581 65.581 66.202 -0.621 25827 4208 1 10 . 1 1 73 73 SER H H 73 8.794 8.794 8.277 0.517 25827 4209 1 10 . 1 1 74 74 ILE N N 74 122.487 122.487 125.018 -2.531 25827 4210 1 10 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.789 -0.813 25827 4211 1 10 . 1 1 74 74 ILE C C 74 176.045 176.045 175.407 0.638 25827 4212 1 10 . 1 1 74 74 ILE CA C 74 62.576 62.576 60.599 1.977 25827 4213 1 10 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.925 -0.454 25827 4214 1 10 . 1 1 74 74 ILE H H 74 8.813 8.813 8.727 0.086 25827 4215 1 10 . 1 1 75 75 ALA N N 75 131.516 131.516 131.375 0.141 25827 4216 1 10 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.864 -0.400 25827 4217 1 10 . 1 1 75 75 ALA C C 75 176.045 176.045 175.180 0.865 25827 4218 1 10 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.164 1.065 25827 4219 1 10 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.405 -2.563 25827 4220 1 10 . 1 1 75 75 ALA H H 75 8.400 8.400 9.119 -0.719 25827 4221 1 11 . 1 1 2 2 GLY N N 2 109.659 109.659 109.486 0.173 25827 4222 1 11 . 1 1 2 2 GLY C C 2 174.061 174.061 175.344 -1.283 25827 4223 1 11 . 1 1 2 2 GLY CA C 2 45.651 45.651 46.892 -1.241 25827 4224 1 11 . 1 1 2 2 GLY H H 2 8.539 8.539 8.945 -0.406 25827 4225 1 11 . 1 1 3 3 HIS N N 3 120.603 120.603 117.365 3.238 25827 4226 1 11 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.634 -0.225 25827 4227 1 11 . 1 1 3 3 HIS C C 3 176.072 176.072 174.045 2.027 25827 4228 1 11 . 1 1 3 3 HIS CA C 3 56.011 56.011 54.234 1.776 25827 4229 1 11 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.558 2.804 25827 4230 1 11 . 1 1 3 3 HIS H H 3 8.030 8.030 7.515 0.515 25827 4231 1 11 . 1 1 4 4 MET N N 4 124.310 124.310 121.023 3.287 25827 4232 1 11 . 1 1 4 4 MET C C 4 176.179 176.179 175.344 0.835 25827 4233 1 11 . 1 1 4 4 MET CA C 4 61.071 61.071 54.180 6.891 25827 4234 1 11 . 1 1 4 4 MET CB C 4 38.720 38.720 32.021 6.699 25827 4235 1 11 . 1 1 4 4 MET H H 4 8.410 8.410 8.573 -0.163 25827 4236 1 11 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.061 0.235 25827 4237 1 11 . 1 1 5 5 GLN C C 5 174.687 174.687 174.438 0.249 25827 4238 1 11 . 1 1 5 5 GLN CA C 5 56.218 56.218 57.026 -0.808 25827 4239 1 11 . 1 1 5 5 GLN CB C 5 29.561 29.561 27.450 2.111 25827 4240 1 11 . 1 1 6 6 VAL N N 6 120.095 120.095 116.560 3.535 25827 4241 1 11 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.350 -0.003 25827 4242 1 11 . 1 1 6 6 VAL C C 6 174.807 174.807 173.371 1.436 25827 4243 1 11 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.189 1.229 25827 4244 1 11 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.591 -0.271 25827 4245 1 11 . 1 1 6 6 VAL H H 6 7.942 7.942 7.451 0.491 25827 4246 1 11 . 1 1 7 7 ALA N N 7 130.230 130.230 131.152 -0.922 25827 4247 1 11 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.618 0.017 25827 4248 1 11 . 1 1 7 7 ALA C C 7 174.913 174.913 175.577 -0.664 25827 4249 1 11 . 1 1 7 7 ALA CA C 7 50.684 50.684 51.033 -0.349 25827 4250 1 11 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.491 0.145 25827 4251 1 11 . 1 1 7 7 ALA H H 7 8.952 8.952 8.818 0.134 25827 4252 1 11 . 1 1 8 8 THR N N 8 114.219 114.219 113.443 0.776 25827 4253 1 11 . 1 1 8 8 THR HA H 8 5.594 5.594 5.689 -0.095 25827 4254 1 11 . 1 1 8 8 THR C C 8 174.846 174.846 173.897 0.949 25827 4255 1 11 . 1 1 8 8 THR CA C 8 61.524 61.524 59.615 1.909 25827 4256 1 11 . 1 1 8 8 THR CB C 8 71.228 71.228 70.811 0.417 25827 4257 1 11 . 1 1 8 8 THR H H 8 8.211 8.211 8.211 -0.000 25827 4258 1 11 . 1 1 9 9 SER N N 9 121.231 121.231 119.292 1.939 25827 4259 1 11 . 1 1 9 9 SER HA H 9 5.049 5.049 5.080 -0.031 25827 4260 1 11 . 1 1 9 9 SER C C 9 172.023 172.023 172.434 -0.411 25827 4261 1 11 . 1 1 9 9 SER CA C 9 57.822 57.822 57.787 0.035 25827 4262 1 11 . 1 1 9 9 SER CB C 9 67.178 67.178 64.629 2.549 25827 4263 1 11 . 1 1 9 9 SER H H 9 9.329 9.329 8.530 0.799 25827 4264 1 11 . 1 1 10 10 THR N N 10 119.646 119.646 116.201 3.445 25827 4265 1 11 . 1 1 10 10 THR HA H 10 5.423 5.423 5.265 0.158 25827 4266 1 11 . 1 1 10 10 THR C C 10 173.754 173.754 173.095 0.659 25827 4267 1 11 . 1 1 10 10 THR CA C 10 61.591 61.591 60.469 1.121 25827 4268 1 11 . 1 1 10 10 THR CB C 10 70.230 70.230 70.629 -0.399 25827 4269 1 11 . 1 1 10 10 THR H H 10 8.790 8.790 8.622 0.168 25827 4270 1 11 . 1 1 11 11 VAL N N 11 122.726 122.726 125.211 -2.485 25827 4271 1 11 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.108 -0.420 25827 4272 1 11 . 1 1 11 11 VAL C C 11 174.940 174.940 174.073 0.867 25827 4273 1 11 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.579 -0.092 25827 4274 1 11 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.382 -0.175 25827 4275 1 11 . 1 1 11 11 VAL H H 11 8.973 8.973 9.219 -0.246 25827 4276 1 11 . 1 1 12 12 ARG N N 12 127.240 127.240 128.864 -1.624 25827 4277 1 11 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.657 -0.106 25827 4278 1 11 . 1 1 12 12 ARG C C 12 175.632 175.632 174.967 0.665 25827 4279 1 11 . 1 1 12 12 ARG CA C 12 55.731 55.731 55.120 0.611 25827 4280 1 11 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.146 -0.126 25827 4281 1 11 . 1 1 12 12 ARG H H 12 9.274 9.274 9.132 0.142 25827 4282 1 11 . 1 1 13 13 ILE N N 13 123.234 123.234 118.883 4.351 25827 4283 1 11 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.617 0.124 25827 4284 1 11 . 1 1 13 13 ILE C C 13 174.540 174.540 174.420 0.120 25827 4285 1 11 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.029 0.949 25827 4286 1 11 . 1 1 13 13 ILE CB C 13 41.487 41.487 39.565 1.922 25827 4287 1 11 . 1 1 13 13 ILE H H 13 8.210 8.210 7.820 0.390 25827 4288 1 11 . 1 1 14 14 LEU N N 14 128.287 128.287 129.067 -0.780 25827 4289 1 11 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.847 -0.082 25827 4290 1 11 . 1 1 14 14 LEU C C 14 177.391 177.391 174.612 2.779 25827 4291 1 11 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.314 -0.207 25827 4292 1 11 . 1 1 14 14 LEU CB C 14 43.616 43.616 46.015 -2.399 25827 4293 1 11 . 1 1 14 14 LEU H H 14 9.146 9.146 8.898 0.248 25827 4294 1 11 . 1 1 15 15 GLY N N 15 107.835 107.835 111.489 -3.654 25827 4295 1 11 . 1 1 15 15 GLY C C 15 175.726 175.726 174.135 1.591 25827 4296 1 11 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.427 -0.083 25827 4297 1 11 . 1 1 15 15 GLY H H 15 8.515 8.515 8.174 0.341 25827 4298 1 11 . 1 1 16 16 MET N N 16 120.244 120.244 118.350 1.894 25827 4299 1 11 . 1 1 16 16 MET HA H 16 4.699 4.699 4.447 0.252 25827 4300 1 11 . 1 1 16 16 MET C C 16 177.404 177.404 176.621 0.783 25827 4301 1 11 . 1 1 16 16 MET CA C 16 57.116 57.116 56.451 0.665 25827 4302 1 11 . 1 1 16 16 MET CB C 16 34.852 34.852 32.235 2.617 25827 4303 1 11 . 1 1 16 16 MET H H 16 8.925 8.925 8.687 0.238 25827 4304 1 11 . 1 1 17 17 THR C C 17 174.700 174.700 174.534 0.166 25827 4305 1 11 . 1 1 17 17 THR CA C 17 62.736 62.736 60.914 1.822 25827 4306 1 11 . 1 1 17 17 THR CB C 17 64.427 64.427 70.093 -5.666 25827 4307 1 11 . 1 1 18 18 CYS N N 18 120.513 120.513 126.218 -5.705 25827 4308 1 11 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.210 0.213 25827 4309 1 11 . 1 1 18 18 CYS C C 18 177.431 177.431 176.905 0.526 25827 4310 1 11 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.935 -6.428 25827 4311 1 11 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.460 14.804 25827 4312 1 11 . 1 1 18 18 CYS H H 18 8.691 8.691 9.104 -0.413 25827 4313 1 11 . 1 1 19 19 GLN N N 19 121.231 121.231 120.667 0.564 25827 4314 1 11 . 1 1 19 19 GLN HA H 19 4.338 4.338 4.103 0.235 25827 4315 1 11 . 1 1 19 19 GLN C C 19 175.832 175.832 177.696 -1.864 25827 4316 1 11 . 1 1 19 19 GLN CA C 19 56.583 56.583 58.786 -2.203 25827 4317 1 11 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.833 2.845 25827 4318 1 11 . 1 1 19 19 GLN H H 19 8.342 8.342 8.596 -0.254 25827 4319 1 11 . 1 1 20 20 SER N N 20 116.089 116.089 115.781 0.308 25827 4320 1 11 . 1 1 20 20 SER HA H 20 4.381 4.381 4.075 0.306 25827 4321 1 11 . 1 1 20 20 SER C C 20 177.004 177.004 176.079 0.925 25827 4322 1 11 . 1 1 20 20 SER H H 20 7.953 7.953 8.419 -0.466 25827 4323 1 11 . 1 1 21 21 CYS N N 21 125.147 125.147 119.431 5.716 25827 4324 1 11 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.432 0.650 25827 4325 1 11 . 1 1 21 21 CYS C C 21 177.004 177.004 176.260 0.744 25827 4326 1 11 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.787 2.375 25827 4327 1 11 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.216 3.638 25827 4328 1 11 . 1 1 21 21 CYS H H 21 7.854 7.854 7.340 0.514 25827 4329 1 11 . 1 1 22 22 VAL N N 22 118.062 118.062 122.754 -4.692 25827 4330 1 11 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.464 0.888 25827 4331 1 11 . 1 1 22 22 VAL C C 22 177.178 177.178 177.983 -0.805 25827 4332 1 11 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.757 -0.212 25827 4333 1 11 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.260 0.470 25827 4334 1 11 . 1 1 22 22 VAL H H 22 6.834 6.834 7.818 -0.984 25827 4335 1 11 . 1 1 23 23 LYS N N 23 117.823 117.823 120.272 -2.449 25827 4336 1 11 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.901 0.181 25827 4337 1 11 . 1 1 23 23 LYS C C 23 178.456 178.456 178.914 -0.458 25827 4338 1 11 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.026 -1.232 25827 4339 1 11 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.264 0.175 25827 4340 1 11 . 1 1 23 23 LYS H H 23 7.936 7.936 8.367 -0.431 25827 4341 1 11 . 1 1 24 24 SER N N 24 113.895 113.895 115.753 -1.858 25827 4342 1 11 . 1 1 24 24 SER HA H 24 4.068 4.068 4.178 -0.110 25827 4343 1 11 . 1 1 24 24 SER C C 24 177.364 177.364 176.793 0.571 25827 4344 1 11 . 1 1 24 24 SER CA C 24 62.017 62.017 62.183 -0.166 25827 4345 1 11 . 1 1 24 24 SER CB C 24 62.600 62.600 62.779 -0.179 25827 4346 1 11 . 1 1 24 24 SER H H 24 8.062 8.062 8.216 -0.154 25827 4347 1 11 . 1 1 25 25 ILE N N 25 122.845 122.845 123.008 -0.163 25827 4348 1 11 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.779 -0.237 25827 4349 1 11 . 1 1 25 25 ILE C C 25 177.537 177.537 176.906 0.631 25827 4350 1 11 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.287 1.725 25827 4351 1 11 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.926 0.865 25827 4352 1 11 . 1 1 25 25 ILE H H 25 7.888 7.888 8.005 -0.117 25827 4353 1 11 . 1 1 26 26 GLU N N 26 118.630 118.630 121.590 -2.960 25827 4354 1 11 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.963 -0.335 25827 4355 1 11 . 1 1 26 26 GLU C C 26 180.041 180.041 178.476 1.565 25827 4356 1 11 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.650 1.528 25827 4357 1 11 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.068 0.533 25827 4358 1 11 . 1 1 26 26 GLU H H 26 8.519 8.519 8.480 0.039 25827 4359 1 11 . 1 1 27 27 ASP N N 27 119.676 119.676 119.888 -0.212 25827 4360 1 11 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.348 -0.010 25827 4361 1 11 . 1 1 27 27 ASP C C 27 178.070 178.070 178.340 -0.270 25827 4362 1 11 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.748 -0.219 25827 4363 1 11 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.955 -0.532 25827 4364 1 11 . 1 1 27 27 ASP H H 27 8.973 8.973 8.390 0.583 25827 4365 1 11 . 1 1 28 28 ARG N N 28 118.092 118.092 119.382 -1.290 25827 4366 1 11 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.095 0.086 25827 4367 1 11 . 1 1 28 28 ARG C C 28 179.296 179.296 178.956 0.340 25827 4368 1 11 . 1 1 28 28 ARG CA C 28 58.595 58.595 59.176 -0.581 25827 4369 1 11 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.308 0.002 25827 4370 1 11 . 1 1 28 28 ARG H H 28 7.630 7.630 7.658 -0.028 25827 4371 1 11 . 1 1 29 29 ILE N N 29 116.597 116.597 119.171 -2.574 25827 4372 1 11 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.691 0.256 25827 4373 1 11 . 1 1 29 29 ILE C C 29 177.777 177.777 177.927 -0.150 25827 4374 1 11 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.615 -3.930 25827 4375 1 11 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.795 -2.517 25827 4376 1 11 . 1 1 29 29 ILE H H 29 8.427 8.427 8.418 0.010 25827 4377 1 11 . 1 1 30 30 SER N N 30 113.160 113.160 115.128 -1.968 25827 4378 1 11 . 1 1 30 30 SER HA H 30 4.049 4.049 4.193 -0.144 25827 4379 1 11 . 1 1 30 30 SER C C 30 173.941 173.941 175.620 -1.679 25827 4380 1 11 . 1 1 30 30 SER CA C 30 62.110 62.110 61.467 0.643 25827 4381 1 11 . 1 1 30 30 SER CB C 30 62.884 62.884 63.191 -0.307 25827 4382 1 11 . 1 1 30 30 SER H H 30 8.236 8.236 8.305 -0.069 25827 4383 1 11 . 1 1 31 31 ASN N N 31 115.520 115.520 117.012 -1.492 25827 4384 1 11 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.621 0.153 25827 4385 1 11 . 1 1 31 31 ASN C C 31 175.046 175.046 175.300 -0.254 25827 4386 1 11 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.312 -0.765 25827 4387 1 11 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.846 1.151 25827 4388 1 11 . 1 1 31 31 ASN H H 31 6.919 6.919 7.852 -0.933 25827 4389 1 11 . 1 1 32 32 LEU N N 32 122.666 122.666 120.426 2.240 25827 4390 1 11 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.417 -0.081 25827 4391 1 11 . 1 1 32 32 LEU C C 32 177.071 177.071 176.193 0.878 25827 4392 1 11 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.004 0.835 25827 4393 1 11 . 1 1 32 32 LEU CB C 32 41.807 41.807 43.573 -1.766 25827 4394 1 11 . 1 1 32 32 LEU H H 32 7.620 7.620 7.138 0.482 25827 4395 1 11 . 1 1 33 33 LYS N N 33 125.955 125.955 122.778 3.177 25827 4396 1 11 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.289 -0.235 25827 4397 1 11 . 1 1 33 33 LYS C C 33 176.698 176.698 177.105 -0.407 25827 4398 1 11 . 1 1 33 33 LYS CA C 33 57.982 57.982 57.138 0.844 25827 4399 1 11 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.916 -0.974 25827 4400 1 11 . 1 1 33 33 LYS H H 33 8.451 8.451 8.558 -0.107 25827 4401 1 11 . 1 1 34 34 GLY N N 34 110.541 110.541 108.743 1.798 25827 4402 1 11 . 1 1 34 34 GLY C C 34 173.381 173.381 174.271 -0.890 25827 4403 1 11 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.663 0.881 25827 4404 1 11 . 1 1 34 34 GLY H H 34 8.616 8.616 8.569 0.047 25827 4405 1 11 . 1 1 35 35 ILE N N 35 119.258 119.258 121.174 -1.916 25827 4406 1 11 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.335 -0.063 25827 4407 1 11 . 1 1 35 35 ILE C C 35 176.352 176.352 174.710 1.642 25827 4408 1 11 . 1 1 35 35 ILE CA C 35 58.608 58.608 62.262 -3.654 25827 4409 1 11 . 1 1 35 35 ILE CB C 35 35.029 35.029 37.988 -2.959 25827 4410 1 11 . 1 1 35 35 ILE H H 35 7.580 7.580 7.773 -0.193 25827 4411 1 11 . 1 1 36 36 ILE N N 36 130.708 130.708 129.621 1.087 25827 4412 1 11 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.378 -0.297 25827 4413 1 11 . 1 1 36 36 ILE C C 36 176.298 176.298 176.275 0.023 25827 4414 1 11 . 1 1 36 36 ILE CA C 36 61.791 61.791 61.645 0.146 25827 4415 1 11 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.354 -0.202 25827 4416 1 11 . 1 1 36 36 ILE H H 36 9.244 9.244 8.450 0.794 25827 4417 1 11 . 1 1 37 37 SER N N 37 111.336 111.336 112.329 -0.993 25827 4418 1 11 . 1 1 37 37 SER HA H 37 4.613 4.613 4.779 -0.166 25827 4419 1 11 . 1 1 37 37 SER C C 37 171.809 171.809 172.105 -0.296 25827 4420 1 11 . 1 1 37 37 SER CA C 37 57.636 57.636 57.973 -0.337 25827 4421 1 11 . 1 1 37 37 SER CB C 37 64.729 64.729 66.183 -1.454 25827 4422 1 11 . 1 1 37 37 SER H H 37 8.002 8.002 7.689 0.313 25827 4423 1 11 . 1 1 38 38 MET N N 38 123.742 123.742 117.116 6.626 25827 4424 1 11 . 1 1 38 38 MET HA H 38 5.006 5.006 5.174 -0.168 25827 4425 1 11 . 1 1 38 38 MET C C 38 172.755 172.755 174.368 -1.613 25827 4426 1 11 . 1 1 38 38 MET CA C 38 54.719 54.719 54.581 0.138 25827 4427 1 11 . 1 1 38 38 MET CB C 38 35.562 35.562 37.297 -1.735 25827 4428 1 11 . 1 1 38 38 MET H H 38 8.651 8.651 8.176 0.475 25827 4429 1 11 . 1 1 39 39 LYS N N 39 126.343 126.343 122.764 3.579 25827 4430 1 11 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.700 0.254 25827 4431 1 11 . 1 1 39 39 LYS C C 39 175.872 175.872 174.140 1.732 25827 4432 1 11 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.315 -1.408 25827 4433 1 11 . 1 1 39 39 LYS CB C 39 34.604 34.604 34.819 -0.215 25827 4434 1 11 . 1 1 39 39 LYS H H 39 8.173 8.173 8.974 -0.801 25827 4435 1 11 . 1 1 40 40 VAL N N 40 131.217 131.217 127.584 3.633 25827 4436 1 11 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.385 -0.118 25827 4437 1 11 . 1 1 40 40 VAL C C 40 174.327 174.327 174.458 -0.131 25827 4438 1 11 . 1 1 40 40 VAL CA C 40 61.899 61.899 60.690 1.209 25827 4439 1 11 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.017 -0.400 25827 4440 1 11 . 1 1 40 40 VAL H H 40 10.339 10.339 8.656 1.683 25827 4441 1 11 . 1 1 41 41 SER N N 41 121.440 121.440 124.542 -3.102 25827 4442 1 11 . 1 1 41 41 SER HA H 41 4.878 4.878 4.885 -0.007 25827 4443 1 11 . 1 1 41 41 SER C C 41 175.179 175.179 174.391 0.788 25827 4444 1 11 . 1 1 41 41 SER CA C 41 55.359 55.359 56.577 -1.218 25827 4445 1 11 . 1 1 41 41 SER CB C 41 63.381 63.381 65.082 -1.701 25827 4446 1 11 . 1 1 41 41 SER H H 41 9.122 9.122 8.065 1.057 25827 4447 1 11 . 1 1 42 42 LEU N N 42 131.575 131.575 127.007 4.568 25827 4448 1 11 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.966 0.839 25827 4449 1 11 . 1 1 42 42 LEU C C 42 179.189 179.189 178.590 0.599 25827 4450 1 11 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.843 0.419 25827 4451 1 11 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.065 -0.152 25827 4452 1 11 . 1 1 42 42 LEU H H 42 9.139 9.139 8.842 0.297 25827 4453 1 11 . 1 1 43 43 GLU N N 43 117.524 117.524 118.649 -1.125 25827 4454 1 11 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.008 0.797 25827 4455 1 11 . 1 1 43 43 GLU C C 43 178.456 178.456 178.621 -0.165 25827 4456 1 11 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.730 1.196 25827 4457 1 11 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.260 0.057 25827 4458 1 11 . 1 1 43 43 GLU H H 43 9.041 9.041 8.196 0.845 25827 4459 1 11 . 1 1 44 44 GLN N N 44 113.278 113.278 117.656 -4.378 25827 4460 1 11 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.182 0.154 25827 4461 1 11 . 1 1 44 44 GLN C C 44 176.765 176.765 177.264 -0.499 25827 4462 1 11 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.763 -1.218 25827 4463 1 11 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.067 0.534 25827 4464 1 11 . 1 1 44 44 GLN H H 44 7.651 7.651 8.012 -0.361 25827 4465 1 11 . 1 1 45 45 GLY N N 45 110.453 110.453 108.221 2.232 25827 4466 1 11 . 1 1 45 45 GLY C C 45 174.487 174.487 173.529 0.958 25827 4467 1 11 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.799 1.543 25827 4468 1 11 . 1 1 45 45 GLY H H 45 7.884 7.884 8.052 -0.168 25827 4469 1 11 . 1 1 46 46 SER N N 46 111.130 111.130 113.028 -1.898 25827 4470 1 11 . 1 1 46 46 SER HA H 46 5.412 5.412 4.984 0.428 25827 4471 1 11 . 1 1 46 46 SER C C 46 171.503 171.503 171.996 -0.493 25827 4472 1 11 . 1 1 46 46 SER CA C 46 56.544 56.544 57.437 -0.893 25827 4473 1 11 . 1 1 46 46 SER CB C 46 66.327 66.327 66.178 0.149 25827 4474 1 11 . 1 1 46 46 SER H H 46 7.807 7.807 7.380 0.427 25827 4475 1 11 . 1 1 47 47 ALA N N 47 120.663 120.663 121.785 -1.122 25827 4476 1 11 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.312 -0.017 25827 4477 1 11 . 1 1 47 47 ALA C C 47 175.806 175.806 176.422 -0.616 25827 4478 1 11 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.250 0.102 25827 4479 1 11 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.227 2.724 25827 4480 1 11 . 1 1 47 47 ALA H H 47 9.349 9.349 9.018 0.331 25827 4481 1 11 . 1 1 48 48 THR N N 48 117.344 117.344 121.281 -3.937 25827 4482 1 11 . 1 1 48 48 THR HA H 48 4.880 4.880 5.035 -0.155 25827 4483 1 11 . 1 1 48 48 THR C C 48 173.847 173.847 174.374 -0.527 25827 4484 1 11 . 1 1 48 48 THR CA C 48 62.163 62.163 62.169 -0.006 25827 4485 1 11 . 1 1 48 48 THR CB C 48 69.698 69.698 69.224 0.474 25827 4486 1 11 . 1 1 48 48 THR H H 48 8.634 8.634 9.056 -0.422 25827 4487 1 11 . 1 1 49 49 VAL N N 49 129.782 129.782 120.760 9.022 25827 4488 1 11 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.457 0.401 25827 4489 1 11 . 1 1 49 49 VAL C C 49 173.208 173.208 173.556 -0.348 25827 4490 1 11 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.776 0.084 25827 4491 1 11 . 1 1 49 49 VAL CB C 49 34.852 34.852 33.719 1.133 25827 4492 1 11 . 1 1 49 49 VAL H H 49 9.400 9.400 9.342 0.058 25827 4493 1 11 . 1 1 50 50 LYS N N 50 128.107 128.107 125.580 2.527 25827 4494 1 11 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.083 0.841 25827 4495 1 11 . 1 1 50 50 LYS C C 50 176.671 176.671 174.269 2.402 25827 4496 1 11 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.781 0.271 25827 4497 1 11 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.735 -0.380 25827 4498 1 11 . 1 1 50 50 LYS H H 50 8.997 8.997 7.933 1.064 25827 4499 1 11 . 1 1 51 51 TYR N N 51 124.310 124.310 123.793 0.517 25827 4500 1 11 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.848 0.703 25827 4501 1 11 . 1 1 51 51 TYR C C 51 171.343 171.343 174.796 -3.453 25827 4502 1 11 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.403 -0.911 25827 4503 1 11 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.147 -1.694 25827 4504 1 11 . 1 1 51 51 TYR H H 51 9.478 9.478 8.733 0.745 25827 4505 1 11 . 1 1 52 52 VAL N N 52 122.068 122.068 121.907 0.161 25827 4506 1 11 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.571 0.149 25827 4507 1 11 . 1 1 52 52 VAL C C 52 176.045 176.045 175.625 0.420 25827 4508 1 11 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.468 -0.888 25827 4509 1 11 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.570 1.118 25827 4510 1 11 . 1 1 52 52 VAL H H 52 8.702 8.702 8.413 0.289 25827 4511 1 11 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.756 -0.389 25827 4512 1 11 . 1 1 53 53 PRO C C 53 177.111 177.111 177.398 -0.287 25827 4513 1 11 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.879 -0.538 25827 4514 1 11 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.916 0.024 25827 4515 1 11 . 1 1 54 54 SER N N 54 109.924 109.924 112.878 -2.954 25827 4516 1 11 . 1 1 54 54 SER HA H 54 4.345 4.345 4.330 0.015 25827 4517 1 11 . 1 1 54 54 SER C C 54 174.580 174.580 175.481 -0.901 25827 4518 1 11 . 1 1 54 54 SER CA C 54 59.726 59.726 60.681 -0.955 25827 4519 1 11 . 1 1 54 54 SER CB C 54 62.635 62.635 63.234 -0.599 25827 4520 1 11 . 1 1 54 54 SER H H 54 7.898 7.898 8.180 -0.282 25827 4521 1 11 . 1 1 55 55 VAL N N 55 121.919 121.919 119.704 2.215 25827 4522 1 11 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.096 0.027 25827 4523 1 11 . 1 1 55 55 VAL C C 55 174.607 174.607 176.764 -2.157 25827 4524 1 11 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.611 0.110 25827 4525 1 11 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.148 1.421 25827 4526 1 11 . 1 1 55 55 VAL H H 55 8.163 8.163 7.696 0.467 25827 4527 1 11 . 1 1 56 56 VAL N N 56 121.380 121.380 111.578 9.802 25827 4528 1 11 . 1 1 56 56 VAL HA H 56 4.571 4.571 5.121 -0.550 25827 4529 1 11 . 1 1 56 56 VAL C C 56 170.477 170.477 173.944 -3.467 25827 4530 1 11 . 1 1 56 56 VAL CA C 56 59.833 59.833 59.537 0.296 25827 4531 1 11 . 1 1 56 56 VAL CB C 56 35.420 35.420 35.246 0.173 25827 4532 1 11 . 1 1 56 56 VAL H H 56 8.254 8.254 8.327 -0.073 25827 4533 1 11 . 1 1 57 57 CYS N N 57 121.201 121.201 118.336 2.865 25827 4534 1 11 . 1 1 57 57 CYS HA H 57 5.104 5.104 5.038 0.066 25827 4535 1 11 . 1 1 57 57 CYS C C 57 176.591 176.591 176.091 0.500 25827 4536 1 11 . 1 1 57 57 CYS CA C 57 55.625 55.625 55.903 -0.278 25827 4537 1 11 . 1 1 57 57 CYS CB C 57 30.878 30.878 31.021 -0.143 25827 4538 1 11 . 1 1 57 57 CYS H H 57 7.885 7.885 8.588 -0.703 25827 4539 1 11 . 1 1 58 58 LEU N N 58 125.028 125.028 122.692 2.336 25827 4540 1 11 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.968 -0.340 25827 4541 1 11 . 1 1 58 58 LEU C C 58 179.335 179.335 179.098 0.237 25827 4542 1 11 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.251 -0.846 25827 4543 1 11 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.587 -0.279 25827 4544 1 11 . 1 1 58 58 LEU H H 58 8.555 8.555 8.609 -0.054 25827 4545 1 11 . 1 1 59 59 GLN N N 59 120.812 120.812 118.777 2.035 25827 4546 1 11 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.982 -0.013 25827 4547 1 11 . 1 1 59 59 GLN C C 59 178.629 178.629 178.325 0.304 25827 4548 1 11 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.285 0.468 25827 4549 1 11 . 1 1 59 59 GLN CB C 59 27.888 27.888 28.320 -0.432 25827 4550 1 11 . 1 1 59 59 GLN H H 59 9.081 9.081 8.695 0.386 25827 4551 1 11 . 1 1 60 60 GLN N N 60 120.513 120.513 119.143 1.370 25827 4552 1 11 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.009 0.152 25827 4553 1 11 . 1 1 60 60 GLN C C 60 179.002 179.002 178.507 0.495 25827 4554 1 11 . 1 1 60 60 GLN CA C 60 58.887 58.887 59.008 -0.121 25827 4555 1 11 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.814 -0.065 25827 4556 1 11 . 1 1 60 60 GLN H H 60 7.793 7.793 7.591 0.202 25827 4557 1 11 . 1 1 61 61 VAL N N 61 119.886 119.886 120.247 -0.361 25827 4558 1 11 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.658 -0.364 25827 4559 1 11 . 1 1 61 61 VAL C C 61 177.564 177.564 178.124 -0.560 25827 4560 1 11 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.278 0.826 25827 4561 1 11 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.110 0.123 25827 4562 1 11 . 1 1 61 61 VAL H H 61 7.359 7.359 7.912 -0.553 25827 4563 1 11 . 1 1 62 62 CYS N N 62 116.059 116.059 117.476 -1.417 25827 4564 1 11 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.074 -0.270 25827 4565 1 11 . 1 1 62 62 CYS C C 62 177.630 177.630 176.826 0.804 25827 4566 1 11 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.436 0.231 25827 4567 1 11 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.956 -0.443 25827 4568 1 11 . 1 1 62 62 CYS H H 62 8.034 8.034 8.614 -0.580 25827 4569 1 11 . 1 1 63 63 HIS N N 63 121.440 121.440 119.894 1.546 25827 4570 1 11 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.195 0.228 25827 4571 1 11 . 1 1 63 63 HIS C C 63 178.097 178.097 177.435 0.662 25827 4572 1 11 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.259 -0.919 25827 4573 1 11 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.805 0.576 25827 4574 1 11 . 1 1 63 63 HIS H H 63 8.430 8.430 8.321 0.109 25827 4575 1 11 . 1 1 64 64 GLN N N 64 118.839 118.839 118.177 0.662 25827 4576 1 11 . 1 1 64 64 GLN HA H 64 4.027 4.027 3.949 0.078 25827 4577 1 11 . 1 1 64 64 GLN C C 64 178.536 178.536 178.708 -0.172 25827 4578 1 11 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.071 0.269 25827 4579 1 11 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.675 -0.565 25827 4580 1 11 . 1 1 64 64 GLN H H 64 8.102 8.102 8.096 0.006 25827 4581 1 11 . 1 1 65 65 ILE N N 65 119.228 119.228 120.007 -0.779 25827 4582 1 11 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.912 -0.227 25827 4583 1 11 . 1 1 65 65 ILE C C 65 178.656 178.656 177.513 1.143 25827 4584 1 11 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.624 2.428 25827 4585 1 11 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.118 0.247 25827 4586 1 11 . 1 1 65 65 ILE H H 65 7.858 7.858 7.421 0.437 25827 4587 1 11 . 1 1 66 66 GLY N N 66 109.453 109.453 107.745 1.708 25827 4588 1 11 . 1 1 66 66 GLY C C 66 178.643 178.643 176.113 2.530 25827 4589 1 11 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.211 -0.109 25827 4590 1 11 . 1 1 66 66 GLY H H 66 8.379 8.379 8.171 0.208 25827 4591 1 11 . 1 1 67 67 ASP N N 67 123.114 123.114 121.309 1.805 25827 4592 1 11 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.265 0.199 25827 4593 1 11 . 1 1 67 67 ASP C C 67 177.497 177.497 177.590 -0.093 25827 4594 1 11 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.362 0.195 25827 4595 1 11 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.869 0.228 25827 4596 1 11 . 1 1 67 67 ASP H H 67 8.091 8.091 8.302 -0.211 25827 4597 1 11 . 1 1 68 68 MET N N 68 115.939 115.939 116.870 -0.931 25827 4598 1 11 . 1 1 68 68 MET HA H 68 4.297 4.297 4.448 -0.151 25827 4599 1 11 . 1 1 68 68 MET C C 68 175.739 175.739 176.847 -1.108 25827 4600 1 11 . 1 1 68 68 MET CA C 68 56.490 56.490 54.686 1.804 25827 4601 1 11 . 1 1 68 68 MET CB C 68 34.355 34.355 32.650 1.705 25827 4602 1 11 . 1 1 68 68 MET H H 68 7.576 7.576 7.339 0.237 25827 4603 1 11 . 1 1 69 69 GLY N N 69 104.775 104.775 107.786 -3.011 25827 4604 1 11 . 1 1 69 69 GLY C C 69 173.328 173.328 173.640 -0.312 25827 4605 1 11 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.941 -0.156 25827 4606 1 11 . 1 1 69 69 GLY H H 69 7.880 7.880 7.889 -0.009 25827 4607 1 11 . 1 1 70 70 PHE N N 70 118.809 118.809 119.634 -0.825 25827 4608 1 11 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.674 0.238 25827 4609 1 11 . 1 1 70 70 PHE C C 70 173.768 173.768 174.375 -0.607 25827 4610 1 11 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.886 -0.728 25827 4611 1 11 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.237 -0.601 25827 4612 1 11 . 1 1 70 70 PHE H H 70 6.905 6.905 7.529 -0.624 25827 4613 1 11 . 1 1 71 71 GLU N N 71 119.497 119.497 122.064 -2.567 25827 4614 1 11 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.721 -0.140 25827 4615 1 11 . 1 1 71 71 GLU C C 71 174.993 174.993 175.005 -0.012 25827 4616 1 11 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.879 0.333 25827 4617 1 11 . 1 1 71 71 GLU CB C 71 31.375 31.375 30.616 0.759 25827 4618 1 11 . 1 1 71 71 GLU H H 71 8.081 8.081 8.569 -0.488 25827 4619 1 11 . 1 1 72 72 ALA N N 72 129.662 129.662 126.847 2.815 25827 4620 1 11 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.292 0.543 25827 4621 1 11 . 1 1 72 72 ALA C C 72 176.179 176.179 176.177 0.002 25827 4622 1 11 . 1 1 72 72 ALA CA C 72 49.992 49.992 51.042 -1.050 25827 4623 1 11 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.033 0.931 25827 4624 1 11 . 1 1 72 72 ALA H H 72 8.925 8.925 8.400 0.525 25827 4625 1 11 . 1 1 73 73 SER N N 73 114.042 114.042 117.494 -3.452 25827 4626 1 11 . 1 1 73 73 SER HA H 73 4.716 4.716 4.833 -0.117 25827 4627 1 11 . 1 1 73 73 SER C C 73 172.675 172.675 172.952 -0.277 25827 4628 1 11 . 1 1 73 73 SER CA C 73 57.156 57.156 57.261 -0.105 25827 4629 1 11 . 1 1 73 73 SER CB C 73 65.581 65.581 66.231 -0.650 25827 4630 1 11 . 1 1 73 73 SER H H 73 8.794 8.794 8.382 0.412 25827 4631 1 11 . 1 1 74 74 ILE N N 74 122.487 122.487 125.443 -2.956 25827 4632 1 11 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.733 -0.757 25827 4633 1 11 . 1 1 74 74 ILE C C 74 176.045 176.045 175.076 0.969 25827 4634 1 11 . 1 1 74 74 ILE CA C 74 62.576 62.576 59.724 2.852 25827 4635 1 11 . 1 1 74 74 ILE CB C 74 38.471 38.471 39.846 -1.375 25827 4636 1 11 . 1 1 74 74 ILE H H 74 8.813 8.813 8.575 0.238 25827 4637 1 11 . 1 1 75 75 ALA N N 75 131.516 131.516 130.664 0.852 25827 4638 1 11 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.812 -0.348 25827 4639 1 11 . 1 1 75 75 ALA C C 75 176.045 176.045 174.816 1.229 25827 4640 1 11 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.651 0.578 25827 4641 1 11 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.157 -2.316 25827 4642 1 11 . 1 1 75 75 ALA H H 75 8.400 8.400 9.171 -0.771 25827 4643 1 12 . 1 1 2 2 GLY N N 2 109.659 109.659 108.198 1.461 25827 4644 1 12 . 1 1 2 2 GLY C C 2 174.061 174.061 171.990 2.071 25827 4645 1 12 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.321 0.330 25827 4646 1 12 . 1 1 2 2 GLY H H 2 8.539 8.539 8.401 0.138 25827 4647 1 12 . 1 1 3 3 HIS N N 3 120.603 120.603 119.199 1.404 25827 4648 1 12 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.622 -0.213 25827 4649 1 12 . 1 1 3 3 HIS C C 3 176.072 176.072 175.528 0.544 25827 4650 1 12 . 1 1 3 3 HIS CA C 3 56.011 56.011 56.154 -0.143 25827 4651 1 12 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.382 2.980 25827 4652 1 12 . 1 1 3 3 HIS H H 3 8.030 8.030 8.627 -0.597 25827 4653 1 12 . 1 1 4 4 MET N N 4 124.310 124.310 121.895 2.415 25827 4654 1 12 . 1 1 4 4 MET C C 4 176.179 176.179 174.697 1.482 25827 4655 1 12 . 1 1 4 4 MET CA C 4 61.071 61.071 55.706 5.365 25827 4656 1 12 . 1 1 4 4 MET CB C 4 38.720 38.720 31.767 6.953 25827 4657 1 12 . 1 1 4 4 MET H H 4 8.410 8.410 8.838 -0.428 25827 4658 1 12 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.242 0.054 25827 4659 1 12 . 1 1 5 5 GLN C C 5 174.687 174.687 174.186 0.501 25827 4660 1 12 . 1 1 5 5 GLN CA C 5 56.218 56.218 56.456 -0.239 25827 4661 1 12 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.535 0.026 25827 4662 1 12 . 1 1 6 6 VAL N N 6 120.095 120.095 125.791 -5.696 25827 4663 1 12 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.472 -0.125 25827 4664 1 12 . 1 1 6 6 VAL C C 6 174.807 174.807 174.659 0.148 25827 4665 1 12 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.136 0.282 25827 4666 1 12 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.166 0.154 25827 4667 1 12 . 1 1 6 6 VAL H H 6 7.942 7.942 8.227 -0.285 25827 4668 1 12 . 1 1 7 7 ALA N N 7 130.230 130.230 130.977 -0.747 25827 4669 1 12 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.752 -0.117 25827 4670 1 12 . 1 1 7 7 ALA C C 7 174.913 174.913 175.330 -0.417 25827 4671 1 12 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.154 0.530 25827 4672 1 12 . 1 1 7 7 ALA CB C 7 21.637 21.637 20.630 1.007 25827 4673 1 12 . 1 1 7 7 ALA H H 7 8.952 8.952 8.808 0.144 25827 4674 1 12 . 1 1 8 8 THR N N 8 114.219 114.219 114.568 -0.349 25827 4675 1 12 . 1 1 8 8 THR HA H 8 5.594 5.594 5.568 0.026 25827 4676 1 12 . 1 1 8 8 THR C C 8 174.846 174.846 173.667 1.179 25827 4677 1 12 . 1 1 8 8 THR CA C 8 61.524 61.524 59.355 2.168 25827 4678 1 12 . 1 1 8 8 THR CB C 8 71.228 71.228 70.998 0.230 25827 4679 1 12 . 1 1 8 8 THR H H 8 8.211 8.211 8.283 -0.072 25827 4680 1 12 . 1 1 9 9 SER N N 9 121.231 121.231 120.202 1.029 25827 4681 1 12 . 1 1 9 9 SER HA H 9 5.049 5.049 5.177 -0.128 25827 4682 1 12 . 1 1 9 9 SER C C 9 172.023 172.023 173.113 -1.090 25827 4683 1 12 . 1 1 9 9 SER CA C 9 57.822 57.822 57.344 0.478 25827 4684 1 12 . 1 1 9 9 SER CB C 9 67.178 67.178 67.767 -0.589 25827 4685 1 12 . 1 1 9 9 SER H H 9 9.329 9.329 8.653 0.676 25827 4686 1 12 . 1 1 10 10 THR N N 10 119.646 119.646 115.113 4.533 25827 4687 1 12 . 1 1 10 10 THR HA H 10 5.423 5.423 5.453 -0.030 25827 4688 1 12 . 1 1 10 10 THR C C 10 173.754 173.754 173.362 0.392 25827 4689 1 12 . 1 1 10 10 THR CA C 10 61.591 61.591 60.204 1.387 25827 4690 1 12 . 1 1 10 10 THR CB C 10 70.230 70.230 70.916 -0.686 25827 4691 1 12 . 1 1 10 10 THR H H 10 8.790 8.790 9.101 -0.311 25827 4692 1 12 . 1 1 11 11 VAL N N 11 122.726 122.726 124.944 -2.218 25827 4693 1 12 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.278 -0.590 25827 4694 1 12 . 1 1 11 11 VAL C C 11 174.940 174.940 174.175 0.765 25827 4695 1 12 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.628 -0.141 25827 4696 1 12 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.444 -0.237 25827 4697 1 12 . 1 1 11 11 VAL H H 11 8.973 8.973 9.111 -0.138 25827 4698 1 12 . 1 1 12 12 ARG N N 12 127.240 127.240 128.931 -1.691 25827 4699 1 12 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.998 -0.447 25827 4700 1 12 . 1 1 12 12 ARG C C 12 175.632 175.632 175.435 0.197 25827 4701 1 12 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.937 0.794 25827 4702 1 12 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.465 -0.445 25827 4703 1 12 . 1 1 12 12 ARG H H 12 9.274 9.274 8.765 0.509 25827 4704 1 12 . 1 1 13 13 ILE N N 13 123.234 123.234 117.549 5.685 25827 4705 1 12 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.985 -0.244 25827 4706 1 12 . 1 1 13 13 ILE C C 13 174.540 174.540 174.574 -0.034 25827 4707 1 12 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.582 1.396 25827 4708 1 12 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.557 0.930 25827 4709 1 12 . 1 1 13 13 ILE H H 13 8.210 8.210 8.650 -0.440 25827 4710 1 12 . 1 1 14 14 LEU N N 14 128.287 128.287 126.693 1.594 25827 4711 1 12 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.843 -0.078 25827 4712 1 12 . 1 1 14 14 LEU C C 14 177.391 177.391 175.019 2.372 25827 4713 1 12 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.408 -0.301 25827 4714 1 12 . 1 1 14 14 LEU CB C 14 43.616 43.616 45.743 -2.127 25827 4715 1 12 . 1 1 14 14 LEU H H 14 9.146 9.146 8.874 0.272 25827 4716 1 12 . 1 1 15 15 GLY N N 15 107.835 107.835 110.366 -2.531 25827 4717 1 12 . 1 1 15 15 GLY C C 15 175.726 175.726 173.808 1.918 25827 4718 1 12 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.328 0.016 25827 4719 1 12 . 1 1 15 15 GLY H H 15 8.515 8.515 7.799 0.716 25827 4720 1 12 . 1 1 16 16 MET N N 16 120.244 120.244 118.796 1.448 25827 4721 1 12 . 1 1 16 16 MET HA H 16 4.699 4.699 4.437 0.262 25827 4722 1 12 . 1 1 16 16 MET C C 16 177.404 177.404 176.038 1.366 25827 4723 1 12 . 1 1 16 16 MET CA C 16 57.116 57.116 57.493 -0.377 25827 4724 1 12 . 1 1 16 16 MET CB C 16 34.852 34.852 33.186 1.666 25827 4725 1 12 . 1 1 16 16 MET H H 16 8.925 8.925 8.783 0.142 25827 4726 1 12 . 1 1 17 17 THR C C 17 174.700 174.700 174.384 0.316 25827 4727 1 12 . 1 1 17 17 THR CA C 17 62.736 62.736 61.223 1.513 25827 4728 1 12 . 1 1 17 17 THR CB C 17 64.427 64.427 69.865 -5.438 25827 4729 1 12 . 1 1 18 18 CYS N N 18 120.513 120.513 124.886 -4.373 25827 4730 1 12 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.016 0.407 25827 4731 1 12 . 1 1 18 18 CYS C C 18 177.431 177.431 176.501 0.930 25827 4732 1 12 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.270 -5.763 25827 4733 1 12 . 1 1 18 18 CYS CB C 18 42.264 42.264 28.071 14.193 25827 4734 1 12 . 1 1 18 18 CYS H H 18 8.691 8.691 9.105 -0.414 25827 4735 1 12 . 1 1 19 19 GLN N N 19 121.231 121.231 120.327 0.904 25827 4736 1 12 . 1 1 19 19 GLN HA H 19 4.338 4.338 4.125 0.213 25827 4737 1 12 . 1 1 19 19 GLN C C 19 175.832 175.832 177.832 -2.000 25827 4738 1 12 . 1 1 19 19 GLN CA C 19 56.583 56.583 58.527 -1.944 25827 4739 1 12 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.630 3.048 25827 4740 1 12 . 1 1 19 19 GLN H H 19 8.342 8.342 8.726 -0.384 25827 4741 1 12 . 1 1 20 20 SER N N 20 116.089 116.089 115.389 0.700 25827 4742 1 12 . 1 1 20 20 SER HA H 20 4.381 4.381 4.224 0.157 25827 4743 1 12 . 1 1 20 20 SER C C 20 177.004 177.004 176.385 0.619 25827 4744 1 12 . 1 1 20 20 SER H H 20 7.953 7.953 8.577 -0.624 25827 4745 1 12 . 1 1 21 21 CYS N N 21 125.147 125.147 118.983 6.164 25827 4746 1 12 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.135 -0.053 25827 4747 1 12 . 1 1 21 21 CYS C C 21 177.004 177.004 176.508 0.496 25827 4748 1 12 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.646 2.516 25827 4749 1 12 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.827 3.027 25827 4750 1 12 . 1 1 21 21 CYS H H 21 7.854 7.854 7.134 0.720 25827 4751 1 12 . 1 1 22 22 VAL N N 22 118.062 118.062 118.142 -0.080 25827 4752 1 12 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.720 0.632 25827 4753 1 12 . 1 1 22 22 VAL C C 22 177.178 177.178 177.556 -0.378 25827 4754 1 12 . 1 1 22 22 VAL CA C 22 66.545 66.545 65.756 0.789 25827 4755 1 12 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.154 0.576 25827 4756 1 12 . 1 1 22 22 VAL H H 22 6.834 6.834 7.736 -0.902 25827 4757 1 12 . 1 1 23 23 LYS N N 23 117.823 117.823 120.744 -2.921 25827 4758 1 12 . 1 1 23 23 LYS HA H 23 4.082 4.082 4.001 0.081 25827 4759 1 12 . 1 1 23 23 LYS C C 23 178.456 178.456 178.711 -0.255 25827 4760 1 12 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.759 -0.965 25827 4761 1 12 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.396 0.043 25827 4762 1 12 . 1 1 23 23 LYS H H 23 7.936 7.936 8.060 -0.124 25827 4763 1 12 . 1 1 24 24 SER N N 24 113.895 113.895 116.066 -2.171 25827 4764 1 12 . 1 1 24 24 SER HA H 24 4.068 4.068 4.185 -0.117 25827 4765 1 12 . 1 1 24 24 SER C C 24 177.364 177.364 176.656 0.708 25827 4766 1 12 . 1 1 24 24 SER CA C 24 62.017 62.017 62.423 -0.407 25827 4767 1 12 . 1 1 24 24 SER CB C 24 62.600 62.600 63.169 -0.569 25827 4768 1 12 . 1 1 24 24 SER H H 24 8.062 8.062 7.881 0.181 25827 4769 1 12 . 1 1 25 25 ILE N N 25 122.845 122.845 122.329 0.516 25827 4770 1 12 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.922 -0.380 25827 4771 1 12 . 1 1 25 25 ILE C C 25 177.537 177.537 176.896 0.641 25827 4772 1 12 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.426 2.586 25827 4773 1 12 . 1 1 25 25 ILE CB C 25 38.791 38.791 38.064 0.727 25827 4774 1 12 . 1 1 25 25 ILE H H 25 7.888 7.888 8.188 -0.300 25827 4775 1 12 . 1 1 26 26 GLU N N 26 118.630 118.630 121.439 -2.809 25827 4776 1 12 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.934 -0.306 25827 4777 1 12 . 1 1 26 26 GLU C C 26 180.041 180.041 178.344 1.697 25827 4778 1 12 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.669 1.509 25827 4779 1 12 . 1 1 26 26 GLU CB C 26 29.601 29.601 28.889 0.712 25827 4780 1 12 . 1 1 26 26 GLU H H 26 8.519 8.519 7.831 0.688 25827 4781 1 12 . 1 1 27 27 ASP N N 27 119.676 119.676 119.192 0.484 25827 4782 1 12 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.367 -0.029 25827 4783 1 12 . 1 1 27 27 ASP C C 27 178.070 178.070 178.553 -0.483 25827 4784 1 12 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.475 0.054 25827 4785 1 12 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.881 -0.458 25827 4786 1 12 . 1 1 27 27 ASP H H 27 8.973 8.973 7.780 1.193 25827 4787 1 12 . 1 1 28 28 ARG N N 28 118.092 118.092 119.474 -1.382 25827 4788 1 12 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.076 0.105 25827 4789 1 12 . 1 1 28 28 ARG C C 28 179.296 179.296 179.141 0.155 25827 4790 1 12 . 1 1 28 28 ARG CA C 28 58.595 58.595 59.211 -0.616 25827 4791 1 12 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.298 0.012 25827 4792 1 12 . 1 1 28 28 ARG H H 28 7.630 7.630 7.392 0.238 25827 4793 1 12 . 1 1 29 29 ILE N N 29 116.597 116.597 119.680 -3.083 25827 4794 1 12 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.800 0.147 25827 4795 1 12 . 1 1 29 29 ILE C C 29 177.777 177.777 177.297 0.480 25827 4796 1 12 . 1 1 29 29 ILE CA C 29 60.685 60.685 63.915 -3.230 25827 4797 1 12 . 1 1 29 29 ILE CB C 29 35.278 35.278 36.964 -1.686 25827 4798 1 12 . 1 1 29 29 ILE H H 29 8.427 8.427 8.488 -0.061 25827 4799 1 12 . 1 1 30 30 SER N N 30 113.160 113.160 114.014 -0.854 25827 4800 1 12 . 1 1 30 30 SER HA H 30 4.049 4.049 4.217 -0.168 25827 4801 1 12 . 1 1 30 30 SER C C 30 173.941 173.941 176.053 -2.112 25827 4802 1 12 . 1 1 30 30 SER CA C 30 62.110 62.110 60.856 1.254 25827 4803 1 12 . 1 1 30 30 SER CB C 30 62.884 62.884 63.475 -0.591 25827 4804 1 12 . 1 1 30 30 SER H H 30 8.236 8.236 8.252 -0.016 25827 4805 1 12 . 1 1 31 31 ASN N N 31 115.520 115.520 118.245 -2.725 25827 4806 1 12 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.596 0.178 25827 4807 1 12 . 1 1 31 31 ASN C C 31 175.046 175.046 175.805 -0.759 25827 4808 1 12 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.433 -0.886 25827 4809 1 12 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.953 1.044 25827 4810 1 12 . 1 1 31 31 ASN H H 31 6.919 6.919 8.118 -1.199 25827 4811 1 12 . 1 1 32 32 LEU N N 32 122.666 122.666 121.665 1.001 25827 4812 1 12 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.515 -0.179 25827 4813 1 12 . 1 1 32 32 LEU C C 32 177.071 177.071 175.395 1.676 25827 4814 1 12 . 1 1 32 32 LEU CA C 32 54.839 54.839 53.928 0.911 25827 4815 1 12 . 1 1 32 32 LEU CB C 32 41.807 41.807 43.049 -1.242 25827 4816 1 12 . 1 1 32 32 LEU H H 32 7.620 7.620 7.494 0.126 25827 4817 1 12 . 1 1 33 33 LYS N N 33 125.955 125.955 128.774 -2.819 25827 4818 1 12 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.368 -0.314 25827 4819 1 12 . 1 1 33 33 LYS C C 33 176.698 176.698 176.714 -0.016 25827 4820 1 12 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.886 1.096 25827 4821 1 12 . 1 1 33 33 LYS CB C 33 31.942 31.942 33.251 -1.309 25827 4822 1 12 . 1 1 33 33 LYS H H 33 8.451 8.451 8.508 -0.057 25827 4823 1 12 . 1 1 34 34 GLY N N 34 110.541 110.541 110.424 0.117 25827 4824 1 12 . 1 1 34 34 GLY C C 34 173.381 173.381 173.264 0.117 25827 4825 1 12 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.654 0.890 25827 4826 1 12 . 1 1 34 34 GLY H H 34 8.616 8.616 8.503 0.113 25827 4827 1 12 . 1 1 35 35 ILE N N 35 119.258 119.258 121.394 -2.136 25827 4828 1 12 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.514 -0.242 25827 4829 1 12 . 1 1 35 35 ILE C C 35 176.352 176.352 175.475 0.877 25827 4830 1 12 . 1 1 35 35 ILE CA C 35 58.608 58.608 59.823 -1.215 25827 4831 1 12 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.785 -3.756 25827 4832 1 12 . 1 1 35 35 ILE H H 35 7.580 7.580 7.476 0.104 25827 4833 1 12 . 1 1 36 36 ILE N N 36 130.708 130.708 129.616 1.092 25827 4834 1 12 . 1 1 36 36 ILE HA H 36 4.081 4.081 3.873 0.208 25827 4835 1 12 . 1 1 36 36 ILE C C 36 176.298 176.298 176.422 -0.124 25827 4836 1 12 . 1 1 36 36 ILE CA C 36 61.791 61.791 63.326 -1.535 25827 4837 1 12 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.593 -0.440 25827 4838 1 12 . 1 1 36 36 ILE H H 36 9.244 9.244 8.308 0.936 25827 4839 1 12 . 1 1 37 37 SER N N 37 111.336 111.336 110.952 0.384 25827 4840 1 12 . 1 1 37 37 SER HA H 37 4.613 4.613 4.686 -0.073 25827 4841 1 12 . 1 1 37 37 SER C C 37 171.809 171.809 172.402 -0.593 25827 4842 1 12 . 1 1 37 37 SER CA C 37 57.636 57.636 57.762 -0.126 25827 4843 1 12 . 1 1 37 37 SER CB C 37 64.729 64.729 65.262 -0.533 25827 4844 1 12 . 1 1 37 37 SER H H 37 8.002 8.002 8.105 -0.103 25827 4845 1 12 . 1 1 38 38 MET N N 38 123.742 123.742 121.459 2.283 25827 4846 1 12 . 1 1 38 38 MET HA H 38 5.006 5.006 5.199 -0.193 25827 4847 1 12 . 1 1 38 38 MET C C 38 172.755 172.755 174.269 -1.514 25827 4848 1 12 . 1 1 38 38 MET CA C 38 54.719 54.719 55.337 -0.618 25827 4849 1 12 . 1 1 38 38 MET CB C 38 35.562 35.562 36.428 -0.866 25827 4850 1 12 . 1 1 38 38 MET H H 38 8.651 8.651 8.415 0.236 25827 4851 1 12 . 1 1 39 39 LYS N N 39 126.343 126.343 126.625 -0.282 25827 4852 1 12 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.842 0.112 25827 4853 1 12 . 1 1 39 39 LYS C C 39 175.872 175.872 174.724 1.148 25827 4854 1 12 . 1 1 39 39 LYS CA C 39 53.907 53.907 54.851 -0.944 25827 4855 1 12 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.605 -1.001 25827 4856 1 12 . 1 1 39 39 LYS H H 39 8.173 8.173 8.975 -0.802 25827 4857 1 12 . 1 1 40 40 VAL N N 40 131.217 131.217 119.313 11.904 25827 4858 1 12 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.442 -0.175 25827 4859 1 12 . 1 1 40 40 VAL C C 40 174.327 174.327 174.783 -0.456 25827 4860 1 12 . 1 1 40 40 VAL CA C 40 61.899 61.899 59.962 1.937 25827 4861 1 12 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.375 -0.758 25827 4862 1 12 . 1 1 40 40 VAL H H 40 10.339 10.339 8.409 1.930 25827 4863 1 12 . 1 1 41 41 SER N N 41 121.440 121.440 119.960 1.480 25827 4864 1 12 . 1 1 41 41 SER HA H 41 4.878 4.878 4.805 0.073 25827 4865 1 12 . 1 1 41 41 SER C C 41 175.179 175.179 174.566 0.613 25827 4866 1 12 . 1 1 41 41 SER CA C 41 55.359 55.359 56.100 -0.741 25827 4867 1 12 . 1 1 41 41 SER CB C 41 63.381 63.381 63.915 -0.534 25827 4868 1 12 . 1 1 41 41 SER H H 41 9.122 9.122 8.453 0.669 25827 4869 1 12 . 1 1 42 42 LEU N N 42 131.575 131.575 129.977 1.598 25827 4870 1 12 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.022 0.783 25827 4871 1 12 . 1 1 42 42 LEU C C 42 179.189 179.189 178.564 0.625 25827 4872 1 12 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.502 0.760 25827 4873 1 12 . 1 1 42 42 LEU CB C 42 41.913 41.913 41.915 -0.002 25827 4874 1 12 . 1 1 42 42 LEU H H 42 9.139 9.139 8.906 0.233 25827 4875 1 12 . 1 1 43 43 GLU N N 43 117.524 117.524 118.107 -0.583 25827 4876 1 12 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.032 0.773 25827 4877 1 12 . 1 1 43 43 GLU C C 43 178.456 178.456 178.034 0.422 25827 4878 1 12 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.568 1.358 25827 4879 1 12 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.374 -0.057 25827 4880 1 12 . 1 1 43 43 GLU H H 43 9.041 9.041 8.194 0.847 25827 4881 1 12 . 1 1 44 44 GLN N N 44 113.278 113.278 117.693 -4.415 25827 4882 1 12 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.201 0.135 25827 4883 1 12 . 1 1 44 44 GLN C C 44 176.765 176.765 176.758 0.007 25827 4884 1 12 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.095 -0.550 25827 4885 1 12 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.691 -0.090 25827 4886 1 12 . 1 1 44 44 GLN H H 44 7.651 7.651 7.673 -0.022 25827 4887 1 12 . 1 1 45 45 GLY N N 45 110.453 110.453 107.153 3.300 25827 4888 1 12 . 1 1 45 45 GLY C C 45 174.487 174.487 173.128 1.359 25827 4889 1 12 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.416 1.926 25827 4890 1 12 . 1 1 45 45 GLY H H 45 7.884 7.884 7.983 -0.099 25827 4891 1 12 . 1 1 46 46 SER N N 46 111.130 111.130 114.455 -3.325 25827 4892 1 12 . 1 1 46 46 SER HA H 46 5.412 5.412 5.455 -0.043 25827 4893 1 12 . 1 1 46 46 SER C C 46 171.503 171.503 172.119 -0.616 25827 4894 1 12 . 1 1 46 46 SER CA C 46 56.544 56.544 56.679 -0.135 25827 4895 1 12 . 1 1 46 46 SER CB C 46 66.327 66.327 65.378 0.949 25827 4896 1 12 . 1 1 46 46 SER H H 46 7.807 7.807 7.659 0.148 25827 4897 1 12 . 1 1 47 47 ALA N N 47 120.663 120.663 125.567 -4.904 25827 4898 1 12 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.101 0.194 25827 4899 1 12 . 1 1 47 47 ALA C C 47 175.806 175.806 175.790 0.016 25827 4900 1 12 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.193 0.159 25827 4901 1 12 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.270 2.681 25827 4902 1 12 . 1 1 47 47 ALA H H 47 9.349 9.349 9.050 0.299 25827 4903 1 12 . 1 1 48 48 THR N N 48 117.344 117.344 119.312 -1.968 25827 4904 1 12 . 1 1 48 48 THR HA H 48 4.880 4.880 5.276 -0.396 25827 4905 1 12 . 1 1 48 48 THR C C 48 173.847 173.847 174.072 -0.225 25827 4906 1 12 . 1 1 48 48 THR CA C 48 62.163 62.163 62.044 0.119 25827 4907 1 12 . 1 1 48 48 THR CB C 48 69.698 69.698 69.832 -0.134 25827 4908 1 12 . 1 1 48 48 THR H H 48 8.634 8.634 9.099 -0.465 25827 4909 1 12 . 1 1 49 49 VAL N N 49 129.782 129.782 122.687 7.095 25827 4910 1 12 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.726 0.132 25827 4911 1 12 . 1 1 49 49 VAL C C 49 173.208 173.208 174.068 -0.860 25827 4912 1 12 . 1 1 49 49 VAL CA C 49 59.860 59.860 60.120 -0.260 25827 4913 1 12 . 1 1 49 49 VAL CB C 49 34.852 34.852 33.866 0.986 25827 4914 1 12 . 1 1 49 49 VAL H H 49 9.400 9.400 9.273 0.127 25827 4915 1 12 . 1 1 50 50 LYS N N 50 128.107 128.107 126.760 1.347 25827 4916 1 12 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.149 0.775 25827 4917 1 12 . 1 1 50 50 LYS C C 50 176.671 176.671 174.927 1.744 25827 4918 1 12 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.037 0.015 25827 4919 1 12 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.615 -0.260 25827 4920 1 12 . 1 1 50 50 LYS H H 50 8.997 8.997 8.881 0.116 25827 4921 1 12 . 1 1 51 51 TYR N N 51 124.310 124.310 121.647 2.663 25827 4922 1 12 . 1 1 51 51 TYR HA H 51 5.551 5.551 5.120 0.431 25827 4923 1 12 . 1 1 51 51 TYR C C 51 171.343 171.343 173.049 -1.706 25827 4924 1 12 . 1 1 51 51 TYR CA C 51 55.492 55.492 55.837 -0.345 25827 4925 1 12 . 1 1 51 51 TYR CB C 51 41.452 41.452 41.222 0.230 25827 4926 1 12 . 1 1 51 51 TYR H H 51 9.478 9.478 8.794 0.684 25827 4927 1 12 . 1 1 52 52 VAL N N 52 122.068 122.068 121.089 0.979 25827 4928 1 12 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.631 0.089 25827 4929 1 12 . 1 1 52 52 VAL C C 52 176.045 176.045 175.755 0.290 25827 4930 1 12 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.043 -0.463 25827 4931 1 12 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.994 0.694 25827 4932 1 12 . 1 1 52 52 VAL H H 52 8.702 8.702 9.033 -0.331 25827 4933 1 12 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.681 -0.314 25827 4934 1 12 . 1 1 53 53 PRO C C 53 177.111 177.111 178.218 -1.107 25827 4935 1 12 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.466 -1.125 25827 4936 1 12 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.921 0.019 25827 4937 1 12 . 1 1 54 54 SER N N 54 109.924 109.924 112.702 -2.778 25827 4938 1 12 . 1 1 54 54 SER HA H 54 4.345 4.345 4.333 0.012 25827 4939 1 12 . 1 1 54 54 SER C C 54 174.580 174.580 175.825 -1.245 25827 4940 1 12 . 1 1 54 54 SER CA C 54 59.726 59.726 60.308 -0.582 25827 4941 1 12 . 1 1 54 54 SER CB C 54 62.635 62.635 63.132 -0.497 25827 4942 1 12 . 1 1 54 54 SER H H 54 7.898 7.898 8.321 -0.423 25827 4943 1 12 . 1 1 55 55 VAL N N 55 121.919 121.919 119.745 2.174 25827 4944 1 12 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.011 0.112 25827 4945 1 12 . 1 1 55 55 VAL C C 55 174.607 174.607 176.098 -1.491 25827 4946 1 12 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.198 -0.477 25827 4947 1 12 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.794 1.774 25827 4948 1 12 . 1 1 55 55 VAL H H 55 8.163 8.163 7.460 0.703 25827 4949 1 12 . 1 1 56 56 VAL N N 56 121.380 121.380 118.678 2.702 25827 4950 1 12 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.202 0.369 25827 4951 1 12 . 1 1 56 56 VAL C C 56 170.477 170.477 174.239 -3.762 25827 4952 1 12 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.201 -0.368 25827 4953 1 12 . 1 1 56 56 VAL CB C 56 35.420 35.420 33.215 2.205 25827 4954 1 12 . 1 1 56 56 VAL H H 56 8.254 8.254 8.422 -0.168 25827 4955 1 12 . 1 1 57 57 CYS N N 57 121.201 121.201 123.056 -1.855 25827 4956 1 12 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.771 0.333 25827 4957 1 12 . 1 1 57 57 CYS C C 57 176.591 176.591 175.733 0.858 25827 4958 1 12 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.097 -0.472 25827 4959 1 12 . 1 1 57 57 CYS CB C 57 30.878 30.878 30.413 0.465 25827 4960 1 12 . 1 1 57 57 CYS H H 57 7.885 7.885 8.613 -0.728 25827 4961 1 12 . 1 1 58 58 LEU N N 58 125.028 125.028 124.320 0.708 25827 4962 1 12 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.733 -0.105 25827 4963 1 12 . 1 1 58 58 LEU C C 58 179.335 179.335 178.904 0.431 25827 4964 1 12 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.068 -0.663 25827 4965 1 12 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.745 -0.437 25827 4966 1 12 . 1 1 58 58 LEU H H 58 8.555 8.555 8.704 -0.149 25827 4967 1 12 . 1 1 59 59 GLN N N 59 120.812 120.812 116.977 3.835 25827 4968 1 12 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.733 0.236 25827 4969 1 12 . 1 1 59 59 GLN C C 59 178.629 178.629 178.005 0.624 25827 4970 1 12 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.107 0.646 25827 4971 1 12 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.981 -0.093 25827 4972 1 12 . 1 1 59 59 GLN H H 59 9.081 9.081 8.488 0.593 25827 4973 1 12 . 1 1 60 60 GLN N N 60 120.513 120.513 119.641 0.872 25827 4974 1 12 . 1 1 60 60 GLN HA H 60 4.161 4.161 3.925 0.236 25827 4975 1 12 . 1 1 60 60 GLN C C 60 179.002 179.002 178.186 0.816 25827 4976 1 12 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.572 0.315 25827 4977 1 12 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.407 0.342 25827 4978 1 12 . 1 1 60 60 GLN H H 60 7.793 7.793 7.548 0.245 25827 4979 1 12 . 1 1 61 61 VAL N N 61 119.886 119.886 119.528 0.358 25827 4980 1 12 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.546 -0.252 25827 4981 1 12 . 1 1 61 61 VAL C C 61 177.564 177.564 178.222 -0.658 25827 4982 1 12 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.427 0.677 25827 4983 1 12 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.528 -0.295 25827 4984 1 12 . 1 1 61 61 VAL H H 61 7.359 7.359 7.392 -0.033 25827 4985 1 12 . 1 1 62 62 CYS N N 62 116.059 116.059 117.751 -1.692 25827 4986 1 12 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.017 -0.213 25827 4987 1 12 . 1 1 62 62 CYS C C 62 177.630 177.630 177.160 0.470 25827 4988 1 12 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.028 0.639 25827 4989 1 12 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.773 -0.261 25827 4990 1 12 . 1 1 62 62 CYS H H 62 8.034 8.034 8.163 -0.129 25827 4991 1 12 . 1 1 63 63 HIS N N 63 121.440 121.440 117.857 3.583 25827 4992 1 12 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.245 0.178 25827 4993 1 12 . 1 1 63 63 HIS C C 63 178.097 178.097 177.530 0.567 25827 4994 1 12 . 1 1 63 63 HIS CA C 63 59.340 59.340 58.190 1.151 25827 4995 1 12 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.401 0.980 25827 4996 1 12 . 1 1 63 63 HIS H H 63 8.430 8.430 8.293 0.137 25827 4997 1 12 . 1 1 64 64 GLN N N 64 118.839 118.839 117.400 1.439 25827 4998 1 12 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.100 -0.073 25827 4999 1 12 . 1 1 64 64 GLN C C 64 178.536 178.536 178.028 0.508 25827 5000 1 12 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.044 0.296 25827 5001 1 12 . 1 1 64 64 GLN CB C 64 28.110 28.110 29.016 -0.906 25827 5002 1 12 . 1 1 64 64 GLN H H 64 8.102 8.102 7.778 0.324 25827 5003 1 12 . 1 1 65 65 ILE N N 65 119.228 119.228 112.821 6.407 25827 5004 1 12 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.390 -0.705 25827 5005 1 12 . 1 1 65 65 ILE C C 65 178.656 178.656 177.712 0.944 25827 5006 1 12 . 1 1 65 65 ILE CA C 65 66.052 66.052 62.543 3.509 25827 5007 1 12 . 1 1 65 65 ILE CB C 65 38.365 38.365 37.881 0.484 25827 5008 1 12 . 1 1 65 65 ILE H H 65 7.858 7.858 7.333 0.525 25827 5009 1 12 . 1 1 66 66 GLY N N 66 109.453 109.453 109.821 -0.368 25827 5010 1 12 . 1 1 66 66 GLY C C 66 178.643 178.643 176.498 2.145 25827 5011 1 12 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.457 -0.355 25827 5012 1 12 . 1 1 66 66 GLY H H 66 8.379 8.379 8.582 -0.203 25827 5013 1 12 . 1 1 67 67 ASP N N 67 123.114 123.114 122.127 0.987 25827 5014 1 12 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.449 0.015 25827 5015 1 12 . 1 1 67 67 ASP C C 67 177.497 177.497 177.549 -0.052 25827 5016 1 12 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.357 0.200 25827 5017 1 12 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.474 0.623 25827 5018 1 12 . 1 1 67 67 ASP H H 67 8.091 8.091 8.406 -0.315 25827 5019 1 12 . 1 1 68 68 MET N N 68 115.939 115.939 116.565 -0.626 25827 5020 1 12 . 1 1 68 68 MET HA H 68 4.297 4.297 4.452 -0.155 25827 5021 1 12 . 1 1 68 68 MET C C 68 175.739 175.739 176.856 -1.117 25827 5022 1 12 . 1 1 68 68 MET CA C 68 56.490 56.490 54.610 1.880 25827 5023 1 12 . 1 1 68 68 MET CB C 68 34.355 34.355 32.647 1.708 25827 5024 1 12 . 1 1 68 68 MET H H 68 7.576 7.576 7.462 0.114 25827 5025 1 12 . 1 1 69 69 GLY N N 69 104.775 104.775 107.428 -2.653 25827 5026 1 12 . 1 1 69 69 GLY C C 69 173.328 173.328 173.927 -0.599 25827 5027 1 12 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.984 -0.199 25827 5028 1 12 . 1 1 69 69 GLY H H 69 7.880 7.880 7.794 0.086 25827 5029 1 12 . 1 1 70 70 PHE N N 70 118.809 118.809 120.120 -1.311 25827 5030 1 12 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.726 0.186 25827 5031 1 12 . 1 1 70 70 PHE C C 70 173.768 173.768 174.520 -0.752 25827 5032 1 12 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.343 -1.185 25827 5033 1 12 . 1 1 70 70 PHE CB C 70 40.636 40.636 40.648 -0.012 25827 5034 1 12 . 1 1 70 70 PHE H H 70 6.905 6.905 7.549 -0.644 25827 5035 1 12 . 1 1 71 71 GLU N N 71 119.497 119.497 121.741 -2.244 25827 5036 1 12 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.737 -0.156 25827 5037 1 12 . 1 1 71 71 GLU C C 71 174.993 174.993 174.490 0.503 25827 5038 1 12 . 1 1 71 71 GLU CA C 71 56.212 56.212 54.828 1.384 25827 5039 1 12 . 1 1 71 71 GLU CB C 71 31.375 31.375 33.311 -1.936 25827 5040 1 12 . 1 1 71 71 GLU H H 71 8.081 8.081 8.485 -0.404 25827 5041 1 12 . 1 1 72 72 ALA N N 72 129.662 129.662 125.692 3.970 25827 5042 1 12 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.314 0.521 25827 5043 1 12 . 1 1 72 72 ALA C C 72 176.179 176.179 176.065 0.114 25827 5044 1 12 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.834 -0.842 25827 5045 1 12 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.285 0.679 25827 5046 1 12 . 1 1 72 72 ALA H H 72 8.925 8.925 8.391 0.534 25827 5047 1 12 . 1 1 73 73 SER N N 73 114.042 114.042 114.618 -0.576 25827 5048 1 12 . 1 1 73 73 SER HA H 73 4.716 4.716 4.845 -0.129 25827 5049 1 12 . 1 1 73 73 SER C C 73 172.675 172.675 173.065 -0.390 25827 5050 1 12 . 1 1 73 73 SER CA C 73 57.156 57.156 56.744 0.412 25827 5051 1 12 . 1 1 73 73 SER CB C 73 65.581 65.581 65.595 -0.014 25827 5052 1 12 . 1 1 73 73 SER H H 73 8.794 8.794 8.488 0.306 25827 5053 1 12 . 1 1 74 74 ILE N N 74 122.487 122.487 123.670 -1.183 25827 5054 1 12 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.546 -0.570 25827 5055 1 12 . 1 1 74 74 ILE C C 74 176.045 176.045 175.601 0.444 25827 5056 1 12 . 1 1 74 74 ILE CA C 74 62.576 62.576 60.673 1.903 25827 5057 1 12 . 1 1 74 74 ILE CB C 74 38.471 38.471 39.336 -0.865 25827 5058 1 12 . 1 1 74 74 ILE H H 74 8.813 8.813 8.539 0.274 25827 5059 1 12 . 1 1 75 75 ALA N N 75 131.516 131.516 130.902 0.614 25827 5060 1 12 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.773 -0.309 25827 5061 1 12 . 1 1 75 75 ALA C C 75 176.045 176.045 175.435 0.610 25827 5062 1 12 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.777 1.452 25827 5063 1 12 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.285 -2.443 25827 5064 1 12 . 1 1 75 75 ALA H H 75 8.400 8.400 9.020 -0.620 25827 5065 1 13 . 1 1 2 2 GLY N N 2 109.659 109.659 107.106 2.553 25827 5066 1 13 . 1 1 2 2 GLY C C 2 174.061 174.061 174.037 0.024 25827 5067 1 13 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.880 0.771 25827 5068 1 13 . 1 1 2 2 GLY H H 2 8.539 8.539 8.171 0.368 25827 5069 1 13 . 1 1 3 3 HIS N N 3 120.603 120.603 121.564 -0.961 25827 5070 1 13 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.613 -0.204 25827 5071 1 13 . 1 1 3 3 HIS C C 3 176.072 176.072 174.993 1.079 25827 5072 1 13 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.386 0.625 25827 5073 1 13 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.671 2.691 25827 5074 1 13 . 1 1 3 3 HIS H H 3 8.030 8.030 8.346 -0.316 25827 5075 1 13 . 1 1 4 4 MET N N 4 124.310 124.310 122.961 1.349 25827 5076 1 13 . 1 1 4 4 MET C C 4 176.179 176.179 176.431 -0.252 25827 5077 1 13 . 1 1 4 4 MET CA C 4 61.071 61.071 54.085 6.986 25827 5078 1 13 . 1 1 4 4 MET CB C 4 38.720 38.720 32.783 5.937 25827 5079 1 13 . 1 1 4 4 MET H H 4 8.410 8.410 8.640 -0.230 25827 5080 1 13 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.427 -0.131 25827 5081 1 13 . 1 1 5 5 GLN C C 5 174.687 174.687 175.233 -0.546 25827 5082 1 13 . 1 1 5 5 GLN CA C 5 56.218 56.218 55.027 1.191 25827 5083 1 13 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.477 0.084 25827 5084 1 13 . 1 1 6 6 VAL N N 6 120.095 120.095 122.865 -2.770 25827 5085 1 13 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.010 0.338 25827 5086 1 13 . 1 1 6 6 VAL C C 6 174.807 174.807 175.042 -0.235 25827 5087 1 13 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.461 -0.043 25827 5088 1 13 . 1 1 6 6 VAL CB C 6 34.320 34.320 31.321 2.999 25827 5089 1 13 . 1 1 6 6 VAL H H 6 7.942 7.942 8.471 -0.529 25827 5090 1 13 . 1 1 7 7 ALA N N 7 130.230 130.230 131.716 -1.486 25827 5091 1 13 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.702 -0.067 25827 5092 1 13 . 1 1 7 7 ALA C C 7 174.913 174.913 175.656 -0.743 25827 5093 1 13 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.755 -0.071 25827 5094 1 13 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.216 0.421 25827 5095 1 13 . 1 1 7 7 ALA H H 7 8.952 8.952 7.965 0.987 25827 5096 1 13 . 1 1 8 8 THR N N 8 114.219 114.219 113.170 1.049 25827 5097 1 13 . 1 1 8 8 THR HA H 8 5.594 5.594 5.313 0.281 25827 5098 1 13 . 1 1 8 8 THR C C 8 174.846 174.846 174.346 0.500 25827 5099 1 13 . 1 1 8 8 THR CA C 8 61.524 61.524 60.157 1.367 25827 5100 1 13 . 1 1 8 8 THR CB C 8 71.228 71.228 70.071 1.157 25827 5101 1 13 . 1 1 8 8 THR H H 8 8.211 8.211 8.217 -0.006 25827 5102 1 13 . 1 1 9 9 SER N N 9 121.231 121.231 122.023 -0.792 25827 5103 1 13 . 1 1 9 9 SER HA H 9 5.049 5.049 5.176 -0.127 25827 5104 1 13 . 1 1 9 9 SER C C 9 172.023 172.023 173.603 -1.580 25827 5105 1 13 . 1 1 9 9 SER CA C 9 57.822 57.822 57.084 0.738 25827 5106 1 13 . 1 1 9 9 SER CB C 9 67.178 67.178 67.111 0.067 25827 5107 1 13 . 1 1 9 9 SER H H 9 9.329 9.329 9.159 0.170 25827 5108 1 13 . 1 1 10 10 THR N N 10 119.646 119.646 115.721 3.925 25827 5109 1 13 . 1 1 10 10 THR HA H 10 5.423 5.423 5.560 -0.137 25827 5110 1 13 . 1 1 10 10 THR C C 10 173.754 173.754 173.097 0.657 25827 5111 1 13 . 1 1 10 10 THR CA C 10 61.591 61.591 60.096 1.495 25827 5112 1 13 . 1 1 10 10 THR CB C 10 70.230 70.230 71.192 -0.962 25827 5113 1 13 . 1 1 10 10 THR H H 10 8.790 8.790 9.120 -0.330 25827 5114 1 13 . 1 1 11 11 VAL N N 11 122.726 122.726 124.082 -1.356 25827 5115 1 13 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.168 -0.480 25827 5116 1 13 . 1 1 11 11 VAL C C 11 174.940 174.940 173.738 1.202 25827 5117 1 13 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.830 -0.343 25827 5118 1 13 . 1 1 11 11 VAL CB C 11 35.207 35.207 36.055 -0.848 25827 5119 1 13 . 1 1 11 11 VAL H H 11 8.973 8.973 9.079 -0.106 25827 5120 1 13 . 1 1 12 12 ARG N N 12 127.240 127.240 128.690 -1.450 25827 5121 1 13 . 1 1 12 12 ARG HA H 12 4.551 4.551 5.040 -0.489 25827 5122 1 13 . 1 1 12 12 ARG C C 12 175.632 175.632 175.207 0.425 25827 5123 1 13 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.794 0.937 25827 5124 1 13 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.844 -0.824 25827 5125 1 13 . 1 1 12 12 ARG H H 12 9.274 9.274 9.146 0.128 25827 5126 1 13 . 1 1 13 13 ILE N N 13 123.234 123.234 121.801 1.433 25827 5127 1 13 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.791 -0.050 25827 5128 1 13 . 1 1 13 13 ILE C C 13 174.540 174.540 174.967 -0.427 25827 5129 1 13 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.514 0.464 25827 5130 1 13 . 1 1 13 13 ILE CB C 13 41.487 41.487 41.018 0.469 25827 5131 1 13 . 1 1 13 13 ILE H H 13 8.210 8.210 8.730 -0.520 25827 5132 1 13 . 1 1 14 14 LEU N N 14 128.287 128.287 129.142 -0.855 25827 5133 1 13 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.857 -0.092 25827 5134 1 13 . 1 1 14 14 LEU C C 14 177.391 177.391 174.715 2.676 25827 5135 1 13 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.865 0.242 25827 5136 1 13 . 1 1 14 14 LEU CB C 14 43.616 43.616 45.668 -2.052 25827 5137 1 13 . 1 1 14 14 LEU H H 14 9.146 9.146 9.122 0.024 25827 5138 1 13 . 1 1 15 15 GLY N N 15 107.835 107.835 110.295 -2.460 25827 5139 1 13 . 1 1 15 15 GLY C C 15 175.726 175.726 174.224 1.502 25827 5140 1 13 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.366 -0.022 25827 5141 1 13 . 1 1 15 15 GLY H H 15 8.515 8.515 7.850 0.665 25827 5142 1 13 . 1 1 16 16 MET N N 16 120.244 120.244 118.684 1.560 25827 5143 1 13 . 1 1 16 16 MET HA H 16 4.699 4.699 4.372 0.327 25827 5144 1 13 . 1 1 16 16 MET C C 16 177.404 177.404 176.405 0.999 25827 5145 1 13 . 1 1 16 16 MET CA C 16 57.116 57.116 57.799 -0.683 25827 5146 1 13 . 1 1 16 16 MET CB C 16 34.852 34.852 33.162 1.690 25827 5147 1 13 . 1 1 16 16 MET H H 16 8.925 8.925 8.660 0.265 25827 5148 1 13 . 1 1 17 17 THR C C 17 174.700 174.700 174.323 0.377 25827 5149 1 13 . 1 1 17 17 THR CA C 17 62.736 62.736 61.744 0.992 25827 5150 1 13 . 1 1 17 17 THR CB C 17 64.427 64.427 70.232 -5.805 25827 5151 1 13 . 1 1 18 18 CYS N N 18 120.513 120.513 126.252 -5.739 25827 5152 1 13 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.095 0.328 25827 5153 1 13 . 1 1 18 18 CYS C C 18 177.431 177.431 176.622 0.809 25827 5154 1 13 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.624 -6.117 25827 5155 1 13 . 1 1 18 18 CYS CB C 18 42.264 42.264 28.305 13.959 25827 5156 1 13 . 1 1 18 18 CYS H H 18 8.691 8.691 9.066 -0.375 25827 5157 1 13 . 1 1 19 19 GLN N N 19 121.231 121.231 120.360 0.871 25827 5158 1 13 . 1 1 19 19 GLN HA H 19 4.338 4.338 4.045 0.293 25827 5159 1 13 . 1 1 19 19 GLN C C 19 175.832 175.832 177.697 -1.865 25827 5160 1 13 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.055 -2.472 25827 5161 1 13 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.209 2.469 25827 5162 1 13 . 1 1 19 19 GLN H H 19 8.342 8.342 8.772 -0.430 25827 5163 1 13 . 1 1 20 20 SER N N 20 116.089 116.089 115.785 0.304 25827 5164 1 13 . 1 1 20 20 SER HA H 20 4.381 4.381 4.178 0.203 25827 5165 1 13 . 1 1 20 20 SER C C 20 177.004 177.004 176.357 0.647 25827 5166 1 13 . 1 1 20 20 SER H H 20 7.953 7.953 8.478 -0.525 25827 5167 1 13 . 1 1 21 21 CYS N N 21 125.147 125.147 118.642 6.505 25827 5168 1 13 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.800 0.282 25827 5169 1 13 . 1 1 21 21 CYS C C 21 177.004 177.004 176.256 0.748 25827 5170 1 13 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.372 2.790 25827 5171 1 13 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.164 3.690 25827 5172 1 13 . 1 1 21 21 CYS H H 21 7.854 7.854 7.056 0.798 25827 5173 1 13 . 1 1 22 22 VAL N N 22 118.062 118.062 122.831 -4.769 25827 5174 1 13 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.402 0.950 25827 5175 1 13 . 1 1 22 22 VAL C C 22 177.178 177.178 177.918 -0.740 25827 5176 1 13 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.942 -0.397 25827 5177 1 13 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.256 0.474 25827 5178 1 13 . 1 1 22 22 VAL H H 22 6.834 6.834 7.824 -0.990 25827 5179 1 13 . 1 1 23 23 LYS N N 23 117.823 117.823 119.944 -2.121 25827 5180 1 13 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.811 0.271 25827 5181 1 13 . 1 1 23 23 LYS C C 23 178.456 178.456 178.418 0.038 25827 5182 1 13 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.141 -1.347 25827 5183 1 13 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.151 0.288 25827 5184 1 13 . 1 1 23 23 LYS H H 23 7.936 7.936 8.341 -0.405 25827 5185 1 13 . 1 1 24 24 SER N N 24 113.895 113.895 115.130 -1.235 25827 5186 1 13 . 1 1 24 24 SER HA H 24 4.068 4.068 4.192 -0.124 25827 5187 1 13 . 1 1 24 24 SER C C 24 177.364 177.364 176.697 0.667 25827 5188 1 13 . 1 1 24 24 SER CA C 24 62.017 62.017 61.998 0.019 25827 5189 1 13 . 1 1 24 24 SER CB C 24 62.600 62.600 63.021 -0.421 25827 5190 1 13 . 1 1 24 24 SER H H 24 8.062 8.062 7.880 0.182 25827 5191 1 13 . 1 1 25 25 ILE N N 25 122.845 122.845 117.155 5.690 25827 5192 1 13 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.811 -0.269 25827 5193 1 13 . 1 1 25 25 ILE C C 25 177.537 177.537 177.227 0.310 25827 5194 1 13 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.046 1.966 25827 5195 1 13 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.410 1.381 25827 5196 1 13 . 1 1 25 25 ILE H H 25 7.888 7.888 8.022 -0.134 25827 5197 1 13 . 1 1 26 26 GLU N N 26 118.630 118.630 123.127 -4.497 25827 5198 1 13 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.961 -0.333 25827 5199 1 13 . 1 1 26 26 GLU C C 26 180.041 180.041 178.385 1.656 25827 5200 1 13 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.433 1.745 25827 5201 1 13 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.207 0.394 25827 5202 1 13 . 1 1 26 26 GLU H H 26 8.519 8.519 8.339 0.180 25827 5203 1 13 . 1 1 27 27 ASP N N 27 119.676 119.676 119.862 -0.186 25827 5204 1 13 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.345 -0.007 25827 5205 1 13 . 1 1 27 27 ASP C C 27 178.070 178.070 178.604 -0.534 25827 5206 1 13 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.639 -0.110 25827 5207 1 13 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.995 -0.572 25827 5208 1 13 . 1 1 27 27 ASP H H 27 8.973 8.973 8.207 0.766 25827 5209 1 13 . 1 1 28 28 ARG N N 28 118.092 118.092 119.517 -1.425 25827 5210 1 13 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.074 0.107 25827 5211 1 13 . 1 1 28 28 ARG C C 28 179.296 179.296 178.897 0.399 25827 5212 1 13 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.614 -0.019 25827 5213 1 13 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.840 0.470 25827 5214 1 13 . 1 1 28 28 ARG H H 28 7.630 7.630 7.733 -0.103 25827 5215 1 13 . 1 1 29 29 ILE N N 29 116.597 116.597 118.710 -2.113 25827 5216 1 13 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.858 0.089 25827 5217 1 13 . 1 1 29 29 ILE C C 29 177.777 177.777 177.817 -0.040 25827 5218 1 13 . 1 1 29 29 ILE CA C 29 60.685 60.685 63.238 -2.553 25827 5219 1 13 . 1 1 29 29 ILE CB C 29 35.278 35.278 36.807 -1.529 25827 5220 1 13 . 1 1 29 29 ILE H H 29 8.427 8.427 8.253 0.174 25827 5221 1 13 . 1 1 30 30 SER N N 30 113.160 113.160 115.211 -2.051 25827 5222 1 13 . 1 1 30 30 SER HA H 30 4.049 4.049 4.188 -0.139 25827 5223 1 13 . 1 1 30 30 SER C C 30 173.941 173.941 175.651 -1.710 25827 5224 1 13 . 1 1 30 30 SER CA C 30 62.110 62.110 61.545 0.565 25827 5225 1 13 . 1 1 30 30 SER CB C 30 62.884 62.884 63.389 -0.505 25827 5226 1 13 . 1 1 30 30 SER H H 30 8.236 8.236 7.918 0.318 25827 5227 1 13 . 1 1 31 31 ASN N N 31 115.520 115.520 117.303 -1.783 25827 5228 1 13 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.583 0.191 25827 5229 1 13 . 1 1 31 31 ASN C C 31 175.046 175.046 174.989 0.057 25827 5230 1 13 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.830 -1.283 25827 5231 1 13 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.911 1.085 25827 5232 1 13 . 1 1 31 31 ASN H H 31 6.919 6.919 7.837 -0.918 25827 5233 1 13 . 1 1 32 32 LEU N N 32 122.666 122.666 120.954 1.712 25827 5234 1 13 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.394 -0.058 25827 5235 1 13 . 1 1 32 32 LEU C C 32 177.071 177.071 175.900 1.171 25827 5236 1 13 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.118 0.721 25827 5237 1 13 . 1 1 32 32 LEU CB C 32 41.807 41.807 43.110 -1.303 25827 5238 1 13 . 1 1 32 32 LEU H H 32 7.620 7.620 7.135 0.485 25827 5239 1 13 . 1 1 33 33 LYS N N 33 125.955 125.955 127.933 -1.978 25827 5240 1 13 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.151 -0.097 25827 5241 1 13 . 1 1 33 33 LYS C C 33 176.698 176.698 177.064 -0.366 25827 5242 1 13 . 1 1 33 33 LYS CA C 33 57.982 57.982 57.644 0.338 25827 5243 1 13 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.891 -0.949 25827 5244 1 13 . 1 1 33 33 LYS H H 33 8.451 8.451 8.439 0.012 25827 5245 1 13 . 1 1 34 34 GLY N N 34 110.541 110.541 112.111 -1.570 25827 5246 1 13 . 1 1 34 34 GLY C C 34 173.381 173.381 173.188 0.193 25827 5247 1 13 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.757 0.787 25827 5248 1 13 . 1 1 34 34 GLY H H 34 8.616 8.616 8.678 -0.062 25827 5249 1 13 . 1 1 35 35 ILE N N 35 119.258 119.258 120.123 -0.865 25827 5250 1 13 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.469 -0.197 25827 5251 1 13 . 1 1 35 35 ILE C C 35 176.352 176.352 174.647 1.705 25827 5252 1 13 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.283 -2.675 25827 5253 1 13 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.824 -3.795 25827 5254 1 13 . 1 1 35 35 ILE H H 35 7.580 7.580 7.505 0.075 25827 5255 1 13 . 1 1 36 36 ILE N N 36 130.708 130.708 128.658 2.050 25827 5256 1 13 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.352 -0.271 25827 5257 1 13 . 1 1 36 36 ILE C C 36 176.298 176.298 176.127 0.171 25827 5258 1 13 . 1 1 36 36 ILE CA C 36 61.791 61.791 61.963 -0.172 25827 5259 1 13 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.544 -1.392 25827 5260 1 13 . 1 1 36 36 ILE H H 36 9.244 9.244 8.717 0.527 25827 5261 1 13 . 1 1 37 37 SER N N 37 111.336 111.336 114.453 -3.117 25827 5262 1 13 . 1 1 37 37 SER HA H 37 4.613 4.613 4.810 -0.197 25827 5263 1 13 . 1 1 37 37 SER C C 37 171.809 171.809 172.258 -0.449 25827 5264 1 13 . 1 1 37 37 SER CA C 37 57.636 57.636 57.468 0.168 25827 5265 1 13 . 1 1 37 37 SER CB C 37 64.729 64.729 66.475 -1.746 25827 5266 1 13 . 1 1 37 37 SER H H 37 8.002 8.002 7.810 0.192 25827 5267 1 13 . 1 1 38 38 MET N N 38 123.742 123.742 122.207 1.535 25827 5268 1 13 . 1 1 38 38 MET HA H 38 5.006 5.006 4.930 0.076 25827 5269 1 13 . 1 1 38 38 MET C C 38 172.755 172.755 174.545 -1.790 25827 5270 1 13 . 1 1 38 38 MET CA C 38 54.719 54.719 55.325 -0.606 25827 5271 1 13 . 1 1 38 38 MET CB C 38 35.562 35.562 36.145 -0.583 25827 5272 1 13 . 1 1 38 38 MET H H 38 8.651 8.651 8.688 -0.037 25827 5273 1 13 . 1 1 39 39 LYS N N 39 126.343 126.343 126.926 -0.583 25827 5274 1 13 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.799 0.155 25827 5275 1 13 . 1 1 39 39 LYS C C 39 175.872 175.872 174.546 1.326 25827 5276 1 13 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.275 -1.368 25827 5277 1 13 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.073 -0.469 25827 5278 1 13 . 1 1 39 39 LYS H H 39 8.173 8.173 9.137 -0.964 25827 5279 1 13 . 1 1 40 40 VAL N N 40 131.217 131.217 120.551 10.666 25827 5280 1 13 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.566 -0.299 25827 5281 1 13 . 1 1 40 40 VAL C C 40 174.327 174.327 174.781 -0.454 25827 5282 1 13 . 1 1 40 40 VAL CA C 40 61.899 61.899 59.679 2.220 25827 5283 1 13 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.617 -1.000 25827 5284 1 13 . 1 1 40 40 VAL H H 40 10.339 10.339 8.411 1.928 25827 5285 1 13 . 1 1 41 41 SER N N 41 121.440 121.440 120.240 1.200 25827 5286 1 13 . 1 1 41 41 SER HA H 41 4.878 4.878 4.804 0.074 25827 5287 1 13 . 1 1 41 41 SER C C 41 175.179 175.179 174.157 1.022 25827 5288 1 13 . 1 1 41 41 SER CA C 41 55.359 55.359 56.766 -1.407 25827 5289 1 13 . 1 1 41 41 SER CB C 41 63.381 63.381 64.257 -0.876 25827 5290 1 13 . 1 1 41 41 SER H H 41 9.122 9.122 8.184 0.938 25827 5291 1 13 . 1 1 42 42 LEU N N 42 131.575 131.575 128.521 3.054 25827 5292 1 13 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.013 0.792 25827 5293 1 13 . 1 1 42 42 LEU C C 42 179.189 179.189 178.663 0.526 25827 5294 1 13 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.414 0.848 25827 5295 1 13 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.086 -0.173 25827 5296 1 13 . 1 1 42 42 LEU H H 42 9.139 9.139 8.844 0.295 25827 5297 1 13 . 1 1 43 43 GLU N N 43 117.524 117.524 118.136 -0.612 25827 5298 1 13 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.016 0.789 25827 5299 1 13 . 1 1 43 43 GLU C C 43 178.456 178.456 178.329 0.127 25827 5300 1 13 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.601 1.325 25827 5301 1 13 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.099 0.218 25827 5302 1 13 . 1 1 43 43 GLU H H 43 9.041 9.041 8.407 0.634 25827 5303 1 13 . 1 1 44 44 GLN N N 44 113.278 113.278 116.693 -3.415 25827 5304 1 13 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.248 0.088 25827 5305 1 13 . 1 1 44 44 GLN C C 44 176.765 176.765 177.138 -0.373 25827 5306 1 13 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.336 -0.791 25827 5307 1 13 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.506 0.095 25827 5308 1 13 . 1 1 44 44 GLN H H 44 7.651 7.651 7.554 0.097 25827 5309 1 13 . 1 1 45 45 GLY N N 45 110.453 110.453 107.361 3.092 25827 5310 1 13 . 1 1 45 45 GLY C C 45 174.487 174.487 173.703 0.784 25827 5311 1 13 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.624 1.718 25827 5312 1 13 . 1 1 45 45 GLY H H 45 7.884 7.884 7.958 -0.074 25827 5313 1 13 . 1 1 46 46 SER N N 46 111.130 111.130 115.684 -4.554 25827 5314 1 13 . 1 1 46 46 SER HA H 46 5.412 5.412 5.466 -0.054 25827 5315 1 13 . 1 1 46 46 SER C C 46 171.503 171.503 172.224 -0.721 25827 5316 1 13 . 1 1 46 46 SER CA C 46 56.544 56.544 56.971 -0.427 25827 5317 1 13 . 1 1 46 46 SER CB C 46 66.327 66.327 67.010 -0.683 25827 5318 1 13 . 1 1 46 46 SER H H 46 7.807 7.807 7.520 0.287 25827 5319 1 13 . 1 1 47 47 ALA N N 47 120.663 120.663 124.094 -3.431 25827 5320 1 13 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.785 0.510 25827 5321 1 13 . 1 1 47 47 ALA C C 47 175.806 175.806 175.759 0.047 25827 5322 1 13 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.447 -0.095 25827 5323 1 13 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.097 2.854 25827 5324 1 13 . 1 1 47 47 ALA H H 47 9.349 9.349 9.176 0.173 25827 5325 1 13 . 1 1 48 48 THR N N 48 117.344 117.344 119.941 -2.597 25827 5326 1 13 . 1 1 48 48 THR HA H 48 4.880 4.880 5.464 -0.584 25827 5327 1 13 . 1 1 48 48 THR C C 48 173.847 173.847 173.638 0.209 25827 5328 1 13 . 1 1 48 48 THR CA C 48 62.163 62.163 61.255 0.908 25827 5329 1 13 . 1 1 48 48 THR CB C 48 69.698 69.698 70.319 -0.621 25827 5330 1 13 . 1 1 48 48 THR H H 48 8.634 8.634 9.054 -0.420 25827 5331 1 13 . 1 1 49 49 VAL N N 49 129.782 129.782 122.169 7.613 25827 5332 1 13 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.762 0.096 25827 5333 1 13 . 1 1 49 49 VAL C C 49 173.208 173.208 173.580 -0.372 25827 5334 1 13 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.635 0.225 25827 5335 1 13 . 1 1 49 49 VAL CB C 49 34.852 34.852 35.059 -0.207 25827 5336 1 13 . 1 1 49 49 VAL H H 49 9.400 9.400 9.387 0.013 25827 5337 1 13 . 1 1 50 50 LYS N N 50 128.107 128.107 124.815 3.292 25827 5338 1 13 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.237 0.687 25827 5339 1 13 . 1 1 50 50 LYS C C 50 176.671 176.671 174.968 1.703 25827 5340 1 13 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.872 0.180 25827 5341 1 13 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.890 -0.535 25827 5342 1 13 . 1 1 50 50 LYS H H 50 8.997 8.997 9.033 -0.036 25827 5343 1 13 . 1 1 51 51 TYR N N 51 124.310 124.310 122.055 2.255 25827 5344 1 13 . 1 1 51 51 TYR HA H 51 5.551 5.551 5.400 0.151 25827 5345 1 13 . 1 1 51 51 TYR C C 51 171.343 171.343 173.202 -1.859 25827 5346 1 13 . 1 1 51 51 TYR CA C 51 55.492 55.492 55.744 -0.252 25827 5347 1 13 . 1 1 51 51 TYR CB C 51 41.452 41.452 41.138 0.314 25827 5348 1 13 . 1 1 51 51 TYR H H 51 9.478 9.478 8.381 1.097 25827 5349 1 13 . 1 1 52 52 VAL N N 52 122.068 122.068 120.714 1.354 25827 5350 1 13 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.326 0.394 25827 5351 1 13 . 1 1 52 52 VAL C C 52 176.045 176.045 175.864 0.181 25827 5352 1 13 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.146 -0.566 25827 5353 1 13 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.173 1.515 25827 5354 1 13 . 1 1 52 52 VAL H H 52 8.702 8.702 8.645 0.057 25827 5355 1 13 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.708 -0.341 25827 5356 1 13 . 1 1 53 53 PRO C C 53 177.111 177.111 179.008 -1.897 25827 5357 1 13 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.369 -1.028 25827 5358 1 13 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.065 -0.125 25827 5359 1 13 . 1 1 54 54 SER N N 54 109.924 109.924 112.935 -3.011 25827 5360 1 13 . 1 1 54 54 SER HA H 54 4.345 4.345 4.282 0.063 25827 5361 1 13 . 1 1 54 54 SER C C 54 174.580 174.580 175.856 -1.276 25827 5362 1 13 . 1 1 54 54 SER CA C 54 59.726 59.726 60.752 -1.026 25827 5363 1 13 . 1 1 54 54 SER CB C 54 62.635 62.635 63.129 -0.494 25827 5364 1 13 . 1 1 54 54 SER H H 54 7.898 7.898 8.215 -0.317 25827 5365 1 13 . 1 1 55 55 VAL N N 55 121.919 121.919 120.489 1.430 25827 5366 1 13 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.995 0.128 25827 5367 1 13 . 1 1 55 55 VAL C C 55 174.607 174.607 176.357 -1.750 25827 5368 1 13 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.424 -0.703 25827 5369 1 13 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.563 2.005 25827 5370 1 13 . 1 1 55 55 VAL H H 55 8.163 8.163 7.593 0.570 25827 5371 1 13 . 1 1 56 56 VAL N N 56 121.380 121.380 118.483 2.897 25827 5372 1 13 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.535 0.036 25827 5373 1 13 . 1 1 56 56 VAL C C 56 170.477 170.477 175.136 -4.659 25827 5374 1 13 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.339 -0.506 25827 5375 1 13 . 1 1 56 56 VAL CB C 56 35.420 35.420 32.301 3.119 25827 5376 1 13 . 1 1 56 56 VAL H H 56 8.254 8.254 8.176 0.078 25827 5377 1 13 . 1 1 57 57 CYS N N 57 121.201 121.201 124.069 -2.868 25827 5378 1 13 . 1 1 57 57 CYS HA H 57 5.104 5.104 5.000 0.104 25827 5379 1 13 . 1 1 57 57 CYS C C 57 176.591 176.591 176.186 0.405 25827 5380 1 13 . 1 1 57 57 CYS CA C 57 55.625 55.625 55.762 -0.137 25827 5381 1 13 . 1 1 57 57 CYS CB C 57 30.878 30.878 30.568 0.310 25827 5382 1 13 . 1 1 57 57 CYS H H 57 7.885 7.885 8.169 -0.284 25827 5383 1 13 . 1 1 58 58 LEU N N 58 125.028 125.028 123.205 1.823 25827 5384 1 13 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.011 -0.383 25827 5385 1 13 . 1 1 58 58 LEU C C 58 179.335 179.335 179.386 -0.051 25827 5386 1 13 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.346 -0.941 25827 5387 1 13 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.789 -0.481 25827 5388 1 13 . 1 1 58 58 LEU H H 58 8.555 8.555 8.757 -0.202 25827 5389 1 13 . 1 1 59 59 GLN N N 59 120.812 120.812 117.436 3.376 25827 5390 1 13 . 1 1 59 59 GLN HA H 59 3.969 3.969 4.035 -0.066 25827 5391 1 13 . 1 1 59 59 GLN C C 59 178.629 178.629 178.480 0.149 25827 5392 1 13 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.946 0.807 25827 5393 1 13 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.758 0.130 25827 5394 1 13 . 1 1 59 59 GLN H H 59 9.081 9.081 8.659 0.422 25827 5395 1 13 . 1 1 60 60 GLN N N 60 120.513 120.513 120.490 0.023 25827 5396 1 13 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.038 0.123 25827 5397 1 13 . 1 1 60 60 GLN C C 60 179.002 179.002 178.435 0.567 25827 5398 1 13 . 1 1 60 60 GLN CA C 60 58.887 58.887 59.254 -0.367 25827 5399 1 13 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.480 0.269 25827 5400 1 13 . 1 1 60 60 GLN H H 60 7.793 7.793 7.586 0.207 25827 5401 1 13 . 1 1 61 61 VAL N N 61 119.886 119.886 119.997 -0.111 25827 5402 1 13 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.911 -0.617 25827 5403 1 13 . 1 1 61 61 VAL C C 61 177.564 177.564 178.430 -0.866 25827 5404 1 13 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.044 1.060 25827 5405 1 13 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.751 -0.518 25827 5406 1 13 . 1 1 61 61 VAL H H 61 7.359 7.359 7.755 -0.396 25827 5407 1 13 . 1 1 62 62 CYS N N 62 116.059 116.059 117.289 -1.230 25827 5408 1 13 . 1 1 62 62 CYS HA H 62 3.804 3.804 3.956 -0.152 25827 5409 1 13 . 1 1 62 62 CYS C C 62 177.630 177.630 176.327 1.303 25827 5410 1 13 . 1 1 62 62 CYS CA C 62 64.667 64.667 65.033 -0.366 25827 5411 1 13 . 1 1 62 62 CYS CB C 62 26.513 26.513 27.114 -0.601 25827 5412 1 13 . 1 1 62 62 CYS H H 62 8.034 8.034 8.201 -0.167 25827 5413 1 13 . 1 1 63 63 HIS N N 63 121.440 121.440 119.836 1.604 25827 5414 1 13 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.198 0.225 25827 5415 1 13 . 1 1 63 63 HIS C C 63 178.097 178.097 177.649 0.448 25827 5416 1 13 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.568 -1.228 25827 5417 1 13 . 1 1 63 63 HIS CB C 63 30.381 30.381 30.008 0.373 25827 5418 1 13 . 1 1 63 63 HIS H H 63 8.430 8.430 8.273 0.157 25827 5419 1 13 . 1 1 64 64 GLN N N 64 118.839 118.839 118.297 0.542 25827 5420 1 13 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.000 0.027 25827 5421 1 13 . 1 1 64 64 GLN C C 64 178.536 178.536 178.592 -0.056 25827 5422 1 13 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.989 0.351 25827 5423 1 13 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.767 -0.656 25827 5424 1 13 . 1 1 64 64 GLN H H 64 8.102 8.102 8.172 -0.070 25827 5425 1 13 . 1 1 65 65 ILE N N 65 119.228 119.228 119.138 0.090 25827 5426 1 13 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.042 -0.357 25827 5427 1 13 . 1 1 65 65 ILE C C 65 178.656 178.656 177.360 1.296 25827 5428 1 13 . 1 1 65 65 ILE CA C 65 66.052 66.052 62.893 3.159 25827 5429 1 13 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.318 0.047 25827 5430 1 13 . 1 1 65 65 ILE H H 65 7.858 7.858 7.522 0.336 25827 5431 1 13 . 1 1 66 66 GLY N N 66 109.453 109.453 107.909 1.544 25827 5432 1 13 . 1 1 66 66 GLY C C 66 178.643 178.643 176.152 2.491 25827 5433 1 13 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.289 -0.187 25827 5434 1 13 . 1 1 66 66 GLY H H 66 8.379 8.379 8.360 0.019 25827 5435 1 13 . 1 1 67 67 ASP N N 67 123.114 123.114 120.755 2.359 25827 5436 1 13 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.274 0.190 25827 5437 1 13 . 1 1 67 67 ASP C C 67 177.497 177.497 177.701 -0.204 25827 5438 1 13 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.056 0.501 25827 5439 1 13 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.863 0.234 25827 5440 1 13 . 1 1 67 67 ASP H H 67 8.091 8.091 8.066 0.025 25827 5441 1 13 . 1 1 68 68 MET N N 68 115.939 115.939 116.273 -0.334 25827 5442 1 13 . 1 1 68 68 MET HA H 68 4.297 4.297 4.385 -0.088 25827 5443 1 13 . 1 1 68 68 MET C C 68 175.739 175.739 176.930 -1.191 25827 5444 1 13 . 1 1 68 68 MET CA C 68 56.490 56.490 55.257 1.233 25827 5445 1 13 . 1 1 68 68 MET CB C 68 34.355 34.355 32.644 1.711 25827 5446 1 13 . 1 1 68 68 MET H H 68 7.576 7.576 7.515 0.061 25827 5447 1 13 . 1 1 69 69 GLY N N 69 104.775 104.775 106.961 -2.186 25827 5448 1 13 . 1 1 69 69 GLY C C 69 173.328 173.328 173.739 -0.411 25827 5449 1 13 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.676 0.109 25827 5450 1 13 . 1 1 69 69 GLY H H 69 7.880 7.880 7.799 0.081 25827 5451 1 13 . 1 1 70 70 PHE N N 70 118.809 118.809 120.237 -1.428 25827 5452 1 13 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.657 0.255 25827 5453 1 13 . 1 1 70 70 PHE C C 70 173.768 173.768 174.532 -0.764 25827 5454 1 13 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.096 -0.938 25827 5455 1 13 . 1 1 70 70 PHE CB C 70 40.636 40.636 40.482 0.154 25827 5456 1 13 . 1 1 70 70 PHE H H 70 6.905 6.905 7.620 -0.715 25827 5457 1 13 . 1 1 71 71 GLU N N 71 119.497 119.497 123.491 -3.994 25827 5458 1 13 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.467 0.114 25827 5459 1 13 . 1 1 71 71 GLU C C 71 174.993 174.993 174.876 0.117 25827 5460 1 13 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.798 0.414 25827 5461 1 13 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.619 -0.243 25827 5462 1 13 . 1 1 71 71 GLU H H 71 8.081 8.081 8.430 -0.349 25827 5463 1 13 . 1 1 72 72 ALA N N 72 129.662 129.662 126.736 2.926 25827 5464 1 13 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.236 0.599 25827 5465 1 13 . 1 1 72 72 ALA C C 72 176.179 176.179 175.938 0.241 25827 5466 1 13 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.685 -0.693 25827 5467 1 13 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.312 0.652 25827 5468 1 13 . 1 1 72 72 ALA H H 72 8.925 8.925 8.148 0.777 25827 5469 1 13 . 1 1 73 73 SER N N 73 114.042 114.042 115.628 -1.586 25827 5470 1 13 . 1 1 73 73 SER HA H 73 4.716 4.716 4.869 -0.153 25827 5471 1 13 . 1 1 73 73 SER C C 73 172.675 172.675 173.394 -0.719 25827 5472 1 13 . 1 1 73 73 SER CA C 73 57.156 57.156 56.891 0.265 25827 5473 1 13 . 1 1 73 73 SER CB C 73 65.581 65.581 65.455 0.126 25827 5474 1 13 . 1 1 73 73 SER H H 73 8.794 8.794 8.523 0.271 25827 5475 1 13 . 1 1 74 74 ILE N N 74 122.487 122.487 120.731 1.756 25827 5476 1 13 . 1 1 74 74 ILE HA H 74 3.976 3.976 5.321 -1.345 25827 5477 1 13 . 1 1 74 74 ILE C C 74 176.045 176.045 174.689 1.356 25827 5478 1 13 . 1 1 74 74 ILE CA C 74 62.576 62.576 58.588 3.988 25827 5479 1 13 . 1 1 74 74 ILE CB C 74 38.471 38.471 41.058 -2.587 25827 5480 1 13 . 1 1 74 74 ILE H H 74 8.813 8.813 8.345 0.468 25827 5481 1 13 . 1 1 75 75 ALA N N 75 131.516 131.516 126.134 5.382 25827 5482 1 13 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.661 -0.197 25827 5483 1 13 . 1 1 75 75 ALA C C 75 176.045 176.045 175.545 0.500 25827 5484 1 13 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.755 0.474 25827 5485 1 13 . 1 1 75 75 ALA CB C 75 19.842 19.842 21.719 -1.877 25827 5486 1 13 . 1 1 75 75 ALA H H 75 8.400 8.400 9.047 -0.647 25827 5487 1 14 . 1 1 2 2 GLY N N 2 109.659 109.659 107.830 1.829 25827 5488 1 14 . 1 1 2 2 GLY C C 2 174.061 174.061 173.793 0.268 25827 5489 1 14 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.728 0.923 25827 5490 1 14 . 1 1 2 2 GLY H H 2 8.539 8.539 8.265 0.274 25827 5491 1 14 . 1 1 3 3 HIS N N 3 120.603 120.603 118.874 1.729 25827 5492 1 14 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.469 -0.060 25827 5493 1 14 . 1 1 3 3 HIS C C 3 176.072 176.072 175.529 0.543 25827 5494 1 14 . 1 1 3 3 HIS CA C 3 56.011 56.011 56.107 -0.096 25827 5495 1 14 . 1 1 3 3 HIS CB C 3 33.362 33.362 31.054 2.308 25827 5496 1 14 . 1 1 3 3 HIS H H 3 8.030 8.030 8.294 -0.264 25827 5497 1 14 . 1 1 4 4 MET N N 4 124.310 124.310 122.179 2.131 25827 5498 1 14 . 1 1 4 4 MET C C 4 176.179 176.179 176.937 -0.758 25827 5499 1 14 . 1 1 4 4 MET CA C 4 61.071 61.071 55.794 5.277 25827 5500 1 14 . 1 1 4 4 MET CB C 4 38.720 38.720 32.113 6.607 25827 5501 1 14 . 1 1 4 4 MET H H 4 8.410 8.410 8.674 -0.264 25827 5502 1 14 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.179 0.117 25827 5503 1 14 . 1 1 5 5 GLN C C 5 174.687 174.687 176.027 -1.340 25827 5504 1 14 . 1 1 5 5 GLN CA C 5 56.218 56.218 57.376 -1.158 25827 5505 1 14 . 1 1 5 5 GLN CB C 5 29.561 29.561 28.901 0.660 25827 5506 1 14 . 1 1 6 6 VAL N N 6 120.095 120.095 112.824 7.271 25827 5507 1 14 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.212 0.135 25827 5508 1 14 . 1 1 6 6 VAL C C 6 174.807 174.807 174.497 0.310 25827 5509 1 14 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.156 1.262 25827 5510 1 14 . 1 1 6 6 VAL CB C 6 34.320 34.320 33.186 1.134 25827 5511 1 14 . 1 1 6 6 VAL H H 6 7.942 7.942 7.287 0.655 25827 5512 1 14 . 1 1 7 7 ALA N N 7 130.230 130.230 126.624 3.606 25827 5513 1 14 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.814 -0.179 25827 5514 1 14 . 1 1 7 7 ALA C C 7 174.913 174.913 175.512 -0.599 25827 5515 1 14 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.202 0.482 25827 5516 1 14 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.526 0.111 25827 5517 1 14 . 1 1 7 7 ALA H H 7 8.952 8.952 8.535 0.417 25827 5518 1 14 . 1 1 8 8 THR N N 8 114.219 114.219 113.063 1.156 25827 5519 1 14 . 1 1 8 8 THR HA H 8 5.594 5.594 5.394 0.200 25827 5520 1 14 . 1 1 8 8 THR C C 8 174.846 174.846 174.187 0.659 25827 5521 1 14 . 1 1 8 8 THR CA C 8 61.524 61.524 59.696 1.828 25827 5522 1 14 . 1 1 8 8 THR CB C 8 71.228 71.228 71.034 0.194 25827 5523 1 14 . 1 1 8 8 THR H H 8 8.211 8.211 8.307 -0.096 25827 5524 1 14 . 1 1 9 9 SER N N 9 121.231 121.231 117.653 3.578 25827 5525 1 14 . 1 1 9 9 SER HA H 9 5.049 5.049 4.858 0.191 25827 5526 1 14 . 1 1 9 9 SER C C 9 172.023 172.023 172.902 -0.879 25827 5527 1 14 . 1 1 9 9 SER CA C 9 57.822 57.822 57.711 0.111 25827 5528 1 14 . 1 1 9 9 SER CB C 9 67.178 67.178 66.192 0.986 25827 5529 1 14 . 1 1 9 9 SER H H 9 9.329 9.329 8.855 0.474 25827 5530 1 14 . 1 1 10 10 THR N N 10 119.646 119.646 112.801 6.845 25827 5531 1 14 . 1 1 10 10 THR HA H 10 5.423 5.423 5.682 -0.259 25827 5532 1 14 . 1 1 10 10 THR C C 10 173.754 173.754 173.484 0.270 25827 5533 1 14 . 1 1 10 10 THR CA C 10 61.591 61.591 60.252 1.339 25827 5534 1 14 . 1 1 10 10 THR CB C 10 70.230 70.230 72.060 -1.830 25827 5535 1 14 . 1 1 10 10 THR H H 10 8.790 8.790 8.994 -0.204 25827 5536 1 14 . 1 1 11 11 VAL N N 11 122.726 122.726 117.254 5.472 25827 5537 1 14 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.298 -0.610 25827 5538 1 14 . 1 1 11 11 VAL C C 11 174.940 174.940 174.308 0.632 25827 5539 1 14 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.413 0.074 25827 5540 1 14 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.417 -0.210 25827 5541 1 14 . 1 1 11 11 VAL H H 11 8.973 8.973 9.022 -0.049 25827 5542 1 14 . 1 1 12 12 ARG N N 12 127.240 127.240 121.868 5.372 25827 5543 1 14 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.876 -0.325 25827 5544 1 14 . 1 1 12 12 ARG C C 12 175.632 175.632 174.407 1.225 25827 5545 1 14 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.174 1.557 25827 5546 1 14 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.957 -1.937 25827 5547 1 14 . 1 1 12 12 ARG H H 12 9.274 9.274 8.881 0.393 25827 5548 1 14 . 1 1 13 13 ILE N N 13 123.234 123.234 123.251 -0.017 25827 5549 1 14 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.893 -0.152 25827 5550 1 14 . 1 1 13 13 ILE C C 13 174.540 174.540 174.340 0.200 25827 5551 1 14 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.603 1.375 25827 5552 1 14 . 1 1 13 13 ILE CB C 13 41.487 41.487 41.190 0.297 25827 5553 1 14 . 1 1 13 13 ILE H H 13 8.210 8.210 7.811 0.399 25827 5554 1 14 . 1 1 14 14 LEU N N 14 128.287 128.287 131.780 -3.493 25827 5555 1 14 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.929 -0.164 25827 5556 1 14 . 1 1 14 14 LEU C C 14 177.391 177.391 174.587 2.804 25827 5557 1 14 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.770 0.337 25827 5558 1 14 . 1 1 14 14 LEU CB C 14 43.616 43.616 45.111 -1.495 25827 5559 1 14 . 1 1 14 14 LEU H H 14 9.146 9.146 9.292 -0.146 25827 5560 1 14 . 1 1 15 15 GLY N N 15 107.835 107.835 112.029 -4.194 25827 5561 1 14 . 1 1 15 15 GLY C C 15 175.726 175.726 174.145 1.581 25827 5562 1 14 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.565 -0.221 25827 5563 1 14 . 1 1 15 15 GLY H H 15 8.515 8.515 7.962 0.553 25827 5564 1 14 . 1 1 16 16 MET N N 16 120.244 120.244 117.966 2.278 25827 5565 1 14 . 1 1 16 16 MET HA H 16 4.699 4.699 4.424 0.275 25827 5566 1 14 . 1 1 16 16 MET C C 16 177.404 177.404 176.084 1.320 25827 5567 1 14 . 1 1 16 16 MET CA C 16 57.116 57.116 57.069 0.048 25827 5568 1 14 . 1 1 16 16 MET CB C 16 34.852 34.852 33.080 1.772 25827 5569 1 14 . 1 1 16 16 MET H H 16 8.925 8.925 8.441 0.484 25827 5570 1 14 . 1 1 17 17 THR C C 17 174.700 174.700 174.344 0.356 25827 5571 1 14 . 1 1 17 17 THR CA C 17 62.736 62.736 60.347 2.389 25827 5572 1 14 . 1 1 17 17 THR CB C 17 64.427 64.427 71.200 -6.772 25827 5573 1 14 . 1 1 18 18 CYS N N 18 120.513 120.513 126.458 -5.945 25827 5574 1 14 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.246 0.177 25827 5575 1 14 . 1 1 18 18 CYS C C 18 177.431 177.431 176.551 0.880 25827 5576 1 14 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.157 -5.650 25827 5577 1 14 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.362 14.902 25827 5578 1 14 . 1 1 18 18 CYS H H 18 8.691 8.691 9.105 -0.414 25827 5579 1 14 . 1 1 19 19 GLN N N 19 121.231 121.231 119.461 1.770 25827 5580 1 14 . 1 1 19 19 GLN HA H 19 4.338 4.338 4.133 0.205 25827 5581 1 14 . 1 1 19 19 GLN C C 19 175.832 175.832 178.107 -2.275 25827 5582 1 14 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.560 -2.977 25827 5583 1 14 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.782 2.896 25827 5584 1 14 . 1 1 19 19 GLN H H 19 8.342 8.342 8.787 -0.445 25827 5585 1 14 . 1 1 20 20 SER N N 20 116.089 116.089 115.634 0.455 25827 5586 1 14 . 1 1 20 20 SER HA H 20 4.381 4.381 4.252 0.129 25827 5587 1 14 . 1 1 20 20 SER C C 20 177.004 177.004 176.367 0.637 25827 5588 1 14 . 1 1 20 20 SER H H 20 7.953 7.953 8.506 -0.553 25827 5589 1 14 . 1 1 21 21 CYS N N 21 125.147 125.147 118.845 6.302 25827 5590 1 14 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.601 0.481 25827 5591 1 14 . 1 1 21 21 CYS C C 21 177.004 177.004 176.348 0.656 25827 5592 1 14 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.257 2.905 25827 5593 1 14 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.185 3.669 25827 5594 1 14 . 1 1 21 21 CYS H H 21 7.854 7.854 7.077 0.777 25827 5595 1 14 . 1 1 22 22 VAL N N 22 118.062 118.062 122.676 -4.614 25827 5596 1 14 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.412 0.940 25827 5597 1 14 . 1 1 22 22 VAL C C 22 177.178 177.178 178.092 -0.914 25827 5598 1 14 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.807 -0.262 25827 5599 1 14 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.366 0.364 25827 5600 1 14 . 1 1 22 22 VAL H H 22 6.834 6.834 7.751 -0.917 25827 5601 1 14 . 1 1 23 23 LYS N N 23 117.823 117.823 119.848 -2.025 25827 5602 1 14 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.920 0.162 25827 5603 1 14 . 1 1 23 23 LYS C C 23 178.456 178.456 179.284 -0.828 25827 5604 1 14 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.839 -1.044 25827 5605 1 14 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.160 0.279 25827 5606 1 14 . 1 1 23 23 LYS H H 23 7.936 7.936 8.106 -0.170 25827 5607 1 14 . 1 1 24 24 SER N N 24 113.895 113.895 115.860 -1.965 25827 5608 1 14 . 1 1 24 24 SER HA H 24 4.068 4.068 4.185 -0.117 25827 5609 1 14 . 1 1 24 24 SER C C 24 177.364 177.364 176.600 0.764 25827 5610 1 14 . 1 1 24 24 SER CA C 24 62.017 62.017 61.529 0.488 25827 5611 1 14 . 1 1 24 24 SER CB C 24 62.600 62.600 62.846 -0.246 25827 5612 1 14 . 1 1 24 24 SER H H 24 8.062 8.062 7.870 0.192 25827 5613 1 14 . 1 1 25 25 ILE N N 25 122.845 122.845 122.539 0.306 25827 5614 1 14 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.798 -0.256 25827 5615 1 14 . 1 1 25 25 ILE C C 25 177.537 177.537 176.592 0.945 25827 5616 1 14 . 1 1 25 25 ILE CA C 25 66.012 66.012 62.058 3.954 25827 5617 1 14 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.915 0.876 25827 5618 1 14 . 1 1 25 25 ILE H H 25 7.888 7.888 8.156 -0.268 25827 5619 1 14 . 1 1 26 26 GLU N N 26 118.630 118.630 121.615 -2.985 25827 5620 1 14 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.872 -0.244 25827 5621 1 14 . 1 1 26 26 GLU C C 26 180.041 180.041 178.699 1.342 25827 5622 1 14 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.863 1.315 25827 5623 1 14 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.266 0.335 25827 5624 1 14 . 1 1 26 26 GLU H H 26 8.519 8.519 8.164 0.355 25827 5625 1 14 . 1 1 27 27 ASP N N 27 119.676 119.676 120.448 -0.772 25827 5626 1 14 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.331 0.007 25827 5627 1 14 . 1 1 27 27 ASP C C 27 178.070 178.070 178.396 -0.326 25827 5628 1 14 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.454 0.075 25827 5629 1 14 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.941 -0.518 25827 5630 1 14 . 1 1 27 27 ASP H H 27 8.973 8.973 7.801 1.172 25827 5631 1 14 . 1 1 28 28 ARG N N 28 118.092 118.092 119.261 -1.169 25827 5632 1 14 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.104 0.077 25827 5633 1 14 . 1 1 28 28 ARG C C 28 179.296 179.296 178.663 0.633 25827 5634 1 14 . 1 1 28 28 ARG CA C 28 58.595 58.595 59.064 -0.469 25827 5635 1 14 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.441 -0.131 25827 5636 1 14 . 1 1 28 28 ARG H H 28 7.630 7.630 7.344 0.286 25827 5637 1 14 . 1 1 29 29 ILE N N 29 116.597 116.597 119.494 -2.897 25827 5638 1 14 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.758 0.189 25827 5639 1 14 . 1 1 29 29 ILE C C 29 177.777 177.777 177.779 -0.002 25827 5640 1 14 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.543 -3.858 25827 5641 1 14 . 1 1 29 29 ILE CB C 29 35.278 35.278 38.135 -2.857 25827 5642 1 14 . 1 1 29 29 ILE H H 29 8.427 8.427 8.354 0.073 25827 5643 1 14 . 1 1 30 30 SER N N 30 113.160 113.160 116.180 -3.020 25827 5644 1 14 . 1 1 30 30 SER HA H 30 4.049 4.049 4.163 -0.114 25827 5645 1 14 . 1 1 30 30 SER C C 30 173.941 173.941 175.805 -1.864 25827 5646 1 14 . 1 1 30 30 SER CA C 30 62.110 62.110 61.330 0.780 25827 5647 1 14 . 1 1 30 30 SER CB C 30 62.884 62.884 63.066 -0.183 25827 5648 1 14 . 1 1 30 30 SER H H 30 8.236 8.236 8.437 -0.201 25827 5649 1 14 . 1 1 31 31 ASN N N 31 115.520 115.520 119.269 -3.749 25827 5650 1 14 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.632 0.142 25827 5651 1 14 . 1 1 31 31 ASN C C 31 175.046 175.046 175.299 -0.253 25827 5652 1 14 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.316 -0.769 25827 5653 1 14 . 1 1 31 31 ASN CB C 31 39.997 39.997 39.275 0.722 25827 5654 1 14 . 1 1 31 31 ASN H H 31 6.919 6.919 7.654 -0.735 25827 5655 1 14 . 1 1 32 32 LEU N N 32 122.666 122.666 120.485 2.181 25827 5656 1 14 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.384 -0.048 25827 5657 1 14 . 1 1 32 32 LEU C C 32 177.071 177.071 176.006 1.065 25827 5658 1 14 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.283 0.556 25827 5659 1 14 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.721 -0.914 25827 5660 1 14 . 1 1 32 32 LEU H H 32 7.620 7.620 7.251 0.369 25827 5661 1 14 . 1 1 33 33 LYS N N 33 125.955 125.955 124.656 1.299 25827 5662 1 14 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.314 -0.260 25827 5663 1 14 . 1 1 33 33 LYS C C 33 176.698 176.698 177.297 -0.599 25827 5664 1 14 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.722 1.260 25827 5665 1 14 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.918 -0.976 25827 5666 1 14 . 1 1 33 33 LYS H H 33 8.451 8.451 8.550 -0.099 25827 5667 1 14 . 1 1 34 34 GLY N N 34 110.541 110.541 110.213 0.328 25827 5668 1 14 . 1 1 34 34 GLY C C 34 173.381 173.381 173.593 -0.212 25827 5669 1 14 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.628 0.916 25827 5670 1 14 . 1 1 34 34 GLY H H 34 8.616 8.616 8.676 -0.060 25827 5671 1 14 . 1 1 35 35 ILE N N 35 119.258 119.258 120.570 -1.312 25827 5672 1 14 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.084 0.188 25827 5673 1 14 . 1 1 35 35 ILE C C 35 176.352 176.352 176.114 0.238 25827 5674 1 14 . 1 1 35 35 ILE CA C 35 58.608 58.608 62.033 -3.425 25827 5675 1 14 . 1 1 35 35 ILE CB C 35 35.029 35.029 37.712 -2.683 25827 5676 1 14 . 1 1 35 35 ILE H H 35 7.580 7.580 7.930 -0.350 25827 5677 1 14 . 1 1 36 36 ILE N N 36 130.708 130.708 128.249 2.459 25827 5678 1 14 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.239 -0.158 25827 5679 1 14 . 1 1 36 36 ILE C C 36 176.298 176.298 176.152 0.146 25827 5680 1 14 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.504 -0.713 25827 5681 1 14 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.005 -0.853 25827 5682 1 14 . 1 1 36 36 ILE H H 36 9.244 9.244 8.489 0.755 25827 5683 1 14 . 1 1 37 37 SER N N 37 111.336 111.336 115.635 -4.299 25827 5684 1 14 . 1 1 37 37 SER HA H 37 4.613 4.613 4.665 -0.052 25827 5685 1 14 . 1 1 37 37 SER C C 37 171.809 171.809 172.310 -0.501 25827 5686 1 14 . 1 1 37 37 SER CA C 37 57.636 57.636 57.971 -0.335 25827 5687 1 14 . 1 1 37 37 SER CB C 37 64.729 64.729 64.765 -0.036 25827 5688 1 14 . 1 1 37 37 SER H H 37 8.002 8.002 8.004 -0.002 25827 5689 1 14 . 1 1 38 38 MET N N 38 123.742 123.742 128.208 -4.466 25827 5690 1 14 . 1 1 38 38 MET HA H 38 5.006 5.006 4.946 0.060 25827 5691 1 14 . 1 1 38 38 MET C C 38 172.755 172.755 174.740 -1.985 25827 5692 1 14 . 1 1 38 38 MET CA C 38 54.719 54.719 55.141 -0.422 25827 5693 1 14 . 1 1 38 38 MET CB C 38 35.562 35.562 34.671 0.891 25827 5694 1 14 . 1 1 38 38 MET H H 38 8.651 8.651 8.713 -0.062 25827 5695 1 14 . 1 1 39 39 LYS N N 39 126.343 126.343 127.796 -1.453 25827 5696 1 14 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.754 0.200 25827 5697 1 14 . 1 1 39 39 LYS C C 39 175.872 175.872 174.110 1.762 25827 5698 1 14 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.170 -1.264 25827 5699 1 14 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.384 -1.780 25827 5700 1 14 . 1 1 39 39 LYS H H 39 8.173 8.173 8.731 -0.558 25827 5701 1 14 . 1 1 40 40 VAL N N 40 131.217 131.217 122.233 8.984 25827 5702 1 14 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.273 -0.006 25827 5703 1 14 . 1 1 40 40 VAL C C 40 174.327 174.327 174.832 -0.505 25827 5704 1 14 . 1 1 40 40 VAL CA C 40 61.899 61.899 60.635 1.264 25827 5705 1 14 . 1 1 40 40 VAL CB C 40 32.617 32.617 34.201 -1.584 25827 5706 1 14 . 1 1 40 40 VAL H H 40 10.339 10.339 8.502 1.837 25827 5707 1 14 . 1 1 41 41 SER N N 41 121.440 121.440 125.884 -4.444 25827 5708 1 14 . 1 1 41 41 SER HA H 41 4.878 4.878 4.738 0.140 25827 5709 1 14 . 1 1 41 41 SER C C 41 175.179 175.179 174.794 0.385 25827 5710 1 14 . 1 1 41 41 SER CA C 41 55.359 55.359 57.299 -1.940 25827 5711 1 14 . 1 1 41 41 SER CB C 41 63.381 63.381 62.743 0.638 25827 5712 1 14 . 1 1 41 41 SER H H 41 9.122 9.122 8.881 0.241 25827 5713 1 14 . 1 1 42 42 LEU N N 42 131.575 131.575 126.697 4.878 25827 5714 1 14 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.006 0.799 25827 5715 1 14 . 1 1 42 42 LEU C C 42 179.189 179.189 178.580 0.609 25827 5716 1 14 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.682 0.580 25827 5717 1 14 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.050 -0.137 25827 5718 1 14 . 1 1 42 42 LEU H H 42 9.139 9.139 7.990 1.149 25827 5719 1 14 . 1 1 43 43 GLU N N 43 117.524 117.524 118.097 -0.573 25827 5720 1 14 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.054 0.751 25827 5721 1 14 . 1 1 43 43 GLU C C 43 178.456 178.456 177.867 0.589 25827 5722 1 14 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.677 1.249 25827 5723 1 14 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.106 0.211 25827 5724 1 14 . 1 1 43 43 GLU H H 43 9.041 9.041 8.465 0.576 25827 5725 1 14 . 1 1 44 44 GLN N N 44 113.278 113.278 116.812 -3.534 25827 5726 1 14 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.394 -0.058 25827 5727 1 14 . 1 1 44 44 GLN C C 44 176.765 176.765 176.623 0.142 25827 5728 1 14 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.685 -0.140 25827 5729 1 14 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.327 0.274 25827 5730 1 14 . 1 1 44 44 GLN H H 44 7.651 7.651 7.981 -0.330 25827 5731 1 14 . 1 1 45 45 GLY N N 45 110.453 110.453 109.107 1.346 25827 5732 1 14 . 1 1 45 45 GLY C C 45 174.487 174.487 173.525 0.962 25827 5733 1 14 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.553 1.789 25827 5734 1 14 . 1 1 45 45 GLY H H 45 7.884 7.884 8.064 -0.180 25827 5735 1 14 . 1 1 46 46 SER N N 46 111.130 111.130 113.072 -1.942 25827 5736 1 14 . 1 1 46 46 SER HA H 46 5.412 5.412 5.376 0.036 25827 5737 1 14 . 1 1 46 46 SER C C 46 171.503 171.503 172.192 -0.689 25827 5738 1 14 . 1 1 46 46 SER CA C 46 56.544 56.544 56.929 -0.385 25827 5739 1 14 . 1 1 46 46 SER CB C 46 66.327 66.327 66.263 0.065 25827 5740 1 14 . 1 1 46 46 SER H H 46 7.807 7.807 7.882 -0.075 25827 5741 1 14 . 1 1 47 47 ALA N N 47 120.663 120.663 121.372 -0.709 25827 5742 1 14 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.679 0.616 25827 5743 1 14 . 1 1 47 47 ALA C C 47 175.806 175.806 175.858 -0.052 25827 5744 1 14 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.669 -0.317 25827 5745 1 14 . 1 1 47 47 ALA CB C 47 24.951 24.951 21.990 2.961 25827 5746 1 14 . 1 1 47 47 ALA H H 47 9.349 9.349 9.013 0.336 25827 5747 1 14 . 1 1 48 48 THR N N 48 117.344 117.344 119.140 -1.796 25827 5748 1 14 . 1 1 48 48 THR HA H 48 4.880 4.880 5.209 -0.329 25827 5749 1 14 . 1 1 48 48 THR C C 48 173.847 173.847 173.422 0.425 25827 5750 1 14 . 1 1 48 48 THR CA C 48 62.163 62.163 61.532 0.631 25827 5751 1 14 . 1 1 48 48 THR CB C 48 69.698 69.698 69.991 -0.293 25827 5752 1 14 . 1 1 48 48 THR H H 48 8.634 8.634 8.934 -0.300 25827 5753 1 14 . 1 1 49 49 VAL N N 49 129.782 129.782 127.072 2.710 25827 5754 1 14 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.723 0.135 25827 5755 1 14 . 1 1 49 49 VAL C C 49 173.208 173.208 174.156 -0.948 25827 5756 1 14 . 1 1 49 49 VAL CA C 49 59.860 59.860 60.697 -0.837 25827 5757 1 14 . 1 1 49 49 VAL CB C 49 34.852 34.852 33.606 1.246 25827 5758 1 14 . 1 1 49 49 VAL H H 49 9.400 9.400 9.316 0.084 25827 5759 1 14 . 1 1 50 50 LYS N N 50 128.107 128.107 129.342 -1.235 25827 5760 1 14 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.148 0.776 25827 5761 1 14 . 1 1 50 50 LYS C C 50 176.671 176.671 175.207 1.464 25827 5762 1 14 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.786 0.266 25827 5763 1 14 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.445 -0.090 25827 5764 1 14 . 1 1 50 50 LYS H H 50 8.997 8.997 9.226 -0.229 25827 5765 1 14 . 1 1 51 51 TYR N N 51 124.310 124.310 122.607 1.703 25827 5766 1 14 . 1 1 51 51 TYR HA H 51 5.551 5.551 5.276 0.275 25827 5767 1 14 . 1 1 51 51 TYR C C 51 171.343 171.343 173.028 -1.685 25827 5768 1 14 . 1 1 51 51 TYR CA C 51 55.492 55.492 55.620 -0.128 25827 5769 1 14 . 1 1 51 51 TYR CB C 51 41.452 41.452 41.331 0.121 25827 5770 1 14 . 1 1 51 51 TYR H H 51 9.478 9.478 8.917 0.561 25827 5771 1 14 . 1 1 52 52 VAL N N 52 122.068 122.068 120.239 1.829 25827 5772 1 14 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.432 0.288 25827 5773 1 14 . 1 1 52 52 VAL C C 52 176.045 176.045 175.695 0.350 25827 5774 1 14 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.404 0.176 25827 5775 1 14 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.724 0.964 25827 5776 1 14 . 1 1 52 52 VAL H H 52 8.702 8.702 8.092 0.610 25827 5777 1 14 . 1 1 53 53 PRO HA H 53 4.367 4.367 5.043 -0.676 25827 5778 1 14 . 1 1 53 53 PRO C C 53 177.111 177.111 177.767 -0.656 25827 5779 1 14 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.712 -0.371 25827 5780 1 14 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.832 0.108 25827 5781 1 14 . 1 1 54 54 SER N N 54 109.924 109.924 114.376 -4.452 25827 5782 1 14 . 1 1 54 54 SER HA H 54 4.345 4.345 4.340 0.005 25827 5783 1 14 . 1 1 54 54 SER C C 54 174.580 174.580 175.386 -0.806 25827 5784 1 14 . 1 1 54 54 SER CA C 54 59.726 59.726 60.420 -0.695 25827 5785 1 14 . 1 1 54 54 SER CB C 54 62.635 62.635 63.566 -0.931 25827 5786 1 14 . 1 1 54 54 SER H H 54 7.898 7.898 8.104 -0.206 25827 5787 1 14 . 1 1 55 55 VAL N N 55 121.919 121.919 119.637 2.282 25827 5788 1 14 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.203 -0.080 25827 5789 1 14 . 1 1 55 55 VAL C C 55 174.607 174.607 175.852 -1.245 25827 5790 1 14 . 1 1 55 55 VAL CA C 55 63.721 63.721 62.642 1.079 25827 5791 1 14 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.575 0.993 25827 5792 1 14 . 1 1 55 55 VAL H H 55 8.163 8.163 7.671 0.492 25827 5793 1 14 . 1 1 56 56 VAL N N 56 121.380 121.380 118.035 3.345 25827 5794 1 14 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.407 0.164 25827 5795 1 14 . 1 1 56 56 VAL C C 56 170.477 170.477 173.793 -3.316 25827 5796 1 14 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.210 -0.377 25827 5797 1 14 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.371 1.049 25827 5798 1 14 . 1 1 56 56 VAL H H 56 8.254 8.254 8.199 0.055 25827 5799 1 14 . 1 1 57 57 CYS N N 57 121.201 121.201 122.149 -0.948 25827 5800 1 14 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.961 0.143 25827 5801 1 14 . 1 1 57 57 CYS C C 57 176.591 176.591 174.908 1.683 25827 5802 1 14 . 1 1 57 57 CYS CA C 57 55.625 55.625 55.445 0.180 25827 5803 1 14 . 1 1 57 57 CYS CB C 57 30.878 30.878 31.412 -0.534 25827 5804 1 14 . 1 1 57 57 CYS H H 57 7.885 7.885 8.267 -0.382 25827 5805 1 14 . 1 1 58 58 LEU N N 58 125.028 125.028 121.663 3.365 25827 5806 1 14 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.841 -0.213 25827 5807 1 14 . 1 1 58 58 LEU C C 58 179.335 179.335 178.917 0.418 25827 5808 1 14 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.126 0.279 25827 5809 1 14 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.423 -0.115 25827 5810 1 14 . 1 1 58 58 LEU H H 58 8.555 8.555 8.824 -0.269 25827 5811 1 14 . 1 1 59 59 GLN N N 59 120.812 120.812 117.649 3.163 25827 5812 1 14 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.754 0.215 25827 5813 1 14 . 1 1 59 59 GLN C C 59 178.629 178.629 178.194 0.435 25827 5814 1 14 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.832 0.921 25827 5815 1 14 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.607 0.281 25827 5816 1 14 . 1 1 59 59 GLN H H 59 9.081 9.081 8.555 0.526 25827 5817 1 14 . 1 1 60 60 GLN N N 60 120.513 120.513 117.465 3.048 25827 5818 1 14 . 1 1 60 60 GLN HA H 60 4.161 4.161 3.987 0.174 25827 5819 1 14 . 1 1 60 60 GLN C C 60 179.002 179.002 178.555 0.447 25827 5820 1 14 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.669 0.218 25827 5821 1 14 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.845 -0.096 25827 5822 1 14 . 1 1 60 60 GLN H H 60 7.793 7.793 7.486 0.307 25827 5823 1 14 . 1 1 61 61 VAL N N 61 119.886 119.886 116.338 3.548 25827 5824 1 14 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.715 -0.421 25827 5825 1 14 . 1 1 61 61 VAL C C 61 177.564 177.564 177.580 -0.016 25827 5826 1 14 . 1 1 61 61 VAL CA C 61 67.104 67.104 65.556 1.548 25827 5827 1 14 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.346 -0.113 25827 5828 1 14 . 1 1 61 61 VAL H H 61 7.359 7.359 7.229 0.130 25827 5829 1 14 . 1 1 62 62 CYS N N 62 116.059 116.059 119.476 -3.417 25827 5830 1 14 . 1 1 62 62 CYS HA H 62 3.804 3.804 3.971 -0.167 25827 5831 1 14 . 1 1 62 62 CYS C C 62 177.630 177.630 176.881 0.749 25827 5832 1 14 . 1 1 62 62 CYS CA C 62 64.667 64.667 64.629 0.037 25827 5833 1 14 . 1 1 62 62 CYS CB C 62 26.513 26.513 27.064 -0.551 25827 5834 1 14 . 1 1 62 62 CYS H H 62 8.034 8.034 8.036 -0.002 25827 5835 1 14 . 1 1 63 63 HIS N N 63 121.440 121.440 119.209 2.231 25827 5836 1 14 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.234 0.189 25827 5837 1 14 . 1 1 63 63 HIS C C 63 178.097 178.097 177.801 0.296 25827 5838 1 14 . 1 1 63 63 HIS CA C 63 59.340 59.340 58.699 0.641 25827 5839 1 14 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.612 0.769 25827 5840 1 14 . 1 1 63 63 HIS H H 63 8.430 8.430 7.833 0.597 25827 5841 1 14 . 1 1 64 64 GLN N N 64 118.839 118.839 119.485 -0.646 25827 5842 1 14 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.121 -0.094 25827 5843 1 14 . 1 1 64 64 GLN C C 64 178.536 178.536 177.879 0.657 25827 5844 1 14 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.571 0.769 25827 5845 1 14 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.291 -0.181 25827 5846 1 14 . 1 1 64 64 GLN H H 64 8.102 8.102 7.759 0.343 25827 5847 1 14 . 1 1 65 65 ILE N N 65 119.228 119.228 112.758 6.470 25827 5848 1 14 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.218 -0.533 25827 5849 1 14 . 1 1 65 65 ILE C C 65 178.656 178.656 177.926 0.730 25827 5850 1 14 . 1 1 65 65 ILE CA C 65 66.052 66.052 62.901 3.151 25827 5851 1 14 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.014 0.351 25827 5852 1 14 . 1 1 65 65 ILE H H 65 7.858 7.858 7.410 0.448 25827 5853 1 14 . 1 1 66 66 GLY N N 66 109.453 109.453 108.909 0.544 25827 5854 1 14 . 1 1 66 66 GLY C C 66 178.643 178.643 176.491 2.152 25827 5855 1 14 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.346 -0.244 25827 5856 1 14 . 1 1 66 66 GLY H H 66 8.379 8.379 8.647 -0.268 25827 5857 1 14 . 1 1 67 67 ASP N N 67 123.114 123.114 121.549 1.565 25827 5858 1 14 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.595 -0.131 25827 5859 1 14 . 1 1 67 67 ASP C C 67 177.497 177.497 177.338 0.159 25827 5860 1 14 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.324 0.233 25827 5861 1 14 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.718 0.379 25827 5862 1 14 . 1 1 67 67 ASP H H 67 8.091 8.091 8.147 -0.056 25827 5863 1 14 . 1 1 68 68 MET N N 68 115.939 115.939 117.051 -1.112 25827 5864 1 14 . 1 1 68 68 MET HA H 68 4.297 4.297 4.566 -0.269 25827 5865 1 14 . 1 1 68 68 MET C C 68 175.739 175.739 177.112 -1.373 25827 5866 1 14 . 1 1 68 68 MET CA C 68 56.490 56.490 54.535 1.955 25827 5867 1 14 . 1 1 68 68 MET CB C 68 34.355 34.355 32.369 1.986 25827 5868 1 14 . 1 1 68 68 MET H H 68 7.576 7.576 7.569 0.007 25827 5869 1 14 . 1 1 69 69 GLY N N 69 104.775 104.775 107.731 -2.956 25827 5870 1 14 . 1 1 69 69 GLY C C 69 173.328 173.328 174.298 -0.970 25827 5871 1 14 . 1 1 69 69 GLY CA C 69 44.785 44.785 45.208 -0.423 25827 5872 1 14 . 1 1 69 69 GLY H H 69 7.880 7.880 7.844 0.036 25827 5873 1 14 . 1 1 70 70 PHE N N 70 118.809 118.809 120.889 -2.080 25827 5874 1 14 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.461 0.451 25827 5875 1 14 . 1 1 70 70 PHE C C 70 173.768 173.768 174.584 -0.816 25827 5876 1 14 . 1 1 70 70 PHE CA C 70 56.158 56.158 58.806 -2.648 25827 5877 1 14 . 1 1 70 70 PHE CB C 70 40.636 40.636 40.216 0.420 25827 5878 1 14 . 1 1 70 70 PHE H H 70 6.905 6.905 7.450 -0.545 25827 5879 1 14 . 1 1 71 71 GLU N N 71 119.497 119.497 122.154 -2.657 25827 5880 1 14 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.710 -0.129 25827 5881 1 14 . 1 1 71 71 GLU C C 71 174.993 174.993 174.306 0.687 25827 5882 1 14 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.170 1.042 25827 5883 1 14 . 1 1 71 71 GLU CB C 71 31.375 31.375 32.632 -1.257 25827 5884 1 14 . 1 1 71 71 GLU H H 71 8.081 8.081 8.680 -0.599 25827 5885 1 14 . 1 1 72 72 ALA N N 72 129.662 129.662 128.780 0.882 25827 5886 1 14 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.602 0.233 25827 5887 1 14 . 1 1 72 72 ALA C C 72 176.179 176.179 175.986 0.193 25827 5888 1 14 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.704 -0.712 25827 5889 1 14 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.366 0.598 25827 5890 1 14 . 1 1 72 72 ALA H H 72 8.925 8.925 8.508 0.417 25827 5891 1 14 . 1 1 73 73 SER N N 73 114.042 114.042 115.281 -1.239 25827 5892 1 14 . 1 1 73 73 SER HA H 73 4.716 4.716 4.910 -0.194 25827 5893 1 14 . 1 1 73 73 SER C C 73 172.675 172.675 173.218 -0.543 25827 5894 1 14 . 1 1 73 73 SER CA C 73 57.156 57.156 56.979 0.177 25827 5895 1 14 . 1 1 73 73 SER CB C 73 65.581 65.581 66.329 -0.747 25827 5896 1 14 . 1 1 73 73 SER H H 73 8.794 8.794 8.569 0.225 25827 5897 1 14 . 1 1 74 74 ILE N N 74 122.487 122.487 122.031 0.456 25827 5898 1 14 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.398 -0.422 25827 5899 1 14 . 1 1 74 74 ILE C C 74 176.045 176.045 175.766 0.279 25827 5900 1 14 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.184 1.392 25827 5901 1 14 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.557 -0.086 25827 5902 1 14 . 1 1 74 74 ILE H H 74 8.813 8.813 8.564 0.249 25827 5903 1 14 . 1 1 75 75 ALA N N 75 131.516 131.516 131.419 0.097 25827 5904 1 14 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.848 -0.384 25827 5905 1 14 . 1 1 75 75 ALA C C 75 176.045 176.045 175.409 0.636 25827 5906 1 14 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.888 1.341 25827 5907 1 14 . 1 1 75 75 ALA CB C 75 19.842 19.842 21.657 -1.815 25827 5908 1 14 . 1 1 75 75 ALA H H 75 8.400 8.400 9.036 -0.636 25827 5909 1 15 . 1 1 2 2 GLY N N 2 109.659 109.659 112.928 -3.269 25827 5910 1 15 . 1 1 2 2 GLY C C 2 174.061 174.061 174.804 -0.743 25827 5911 1 15 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.853 -0.202 25827 5912 1 15 . 1 1 2 2 GLY H H 2 8.539 8.539 8.596 -0.057 25827 5913 1 15 . 1 1 3 3 HIS N N 3 120.603 120.603 121.320 -0.717 25827 5914 1 15 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.708 -0.299 25827 5915 1 15 . 1 1 3 3 HIS C C 3 176.072 176.072 176.108 -0.036 25827 5916 1 15 . 1 1 3 3 HIS CA C 3 56.011 56.011 53.999 2.012 25827 5917 1 15 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.983 2.379 25827 5918 1 15 . 1 1 3 3 HIS H H 3 8.030 8.030 8.124 -0.094 25827 5919 1 15 . 1 1 4 4 MET N N 4 124.310 124.310 120.548 3.762 25827 5920 1 15 . 1 1 4 4 MET C C 4 176.179 176.179 177.940 -1.761 25827 5921 1 15 . 1 1 4 4 MET CA C 4 61.071 61.071 57.104 3.967 25827 5922 1 15 . 1 1 4 4 MET CB C 4 38.720 38.720 32.166 6.554 25827 5923 1 15 . 1 1 4 4 MET H H 4 8.410 8.410 8.768 -0.358 25827 5924 1 15 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.184 0.112 25827 5925 1 15 . 1 1 5 5 GLN C C 5 174.687 174.687 175.775 -1.088 25827 5926 1 15 . 1 1 5 5 GLN CA C 5 56.218 56.218 58.170 -1.952 25827 5927 1 15 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.502 0.059 25827 5928 1 15 . 1 1 6 6 VAL N N 6 120.095 120.095 115.924 4.171 25827 5929 1 15 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.479 -0.132 25827 5930 1 15 . 1 1 6 6 VAL C C 6 174.807 174.807 173.093 1.714 25827 5931 1 15 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.667 0.750 25827 5932 1 15 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.813 -0.493 25827 5933 1 15 . 1 1 6 6 VAL H H 6 7.942 7.942 7.587 0.355 25827 5934 1 15 . 1 1 7 7 ALA N N 7 130.230 130.230 131.086 -0.856 25827 5935 1 15 . 1 1 7 7 ALA HA H 7 4.635 4.635 5.394 -0.759 25827 5936 1 15 . 1 1 7 7 ALA C C 7 174.913 174.913 175.874 -0.961 25827 5937 1 15 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.151 0.533 25827 5938 1 15 . 1 1 7 7 ALA CB C 7 21.637 21.637 22.056 -0.419 25827 5939 1 15 . 1 1 7 7 ALA H H 7 8.952 8.952 9.067 -0.115 25827 5940 1 15 . 1 1 8 8 THR N N 8 114.219 114.219 113.562 0.657 25827 5941 1 15 . 1 1 8 8 THR HA H 8 5.594 5.594 5.505 0.089 25827 5942 1 15 . 1 1 8 8 THR C C 8 174.846 174.846 173.762 1.084 25827 5943 1 15 . 1 1 8 8 THR CA C 8 61.524 61.524 59.130 2.394 25827 5944 1 15 . 1 1 8 8 THR CB C 8 71.228 71.228 70.666 0.562 25827 5945 1 15 . 1 1 8 8 THR H H 8 8.211 8.211 8.380 -0.169 25827 5946 1 15 . 1 1 9 9 SER N N 9 121.231 121.231 118.300 2.931 25827 5947 1 15 . 1 1 9 9 SER HA H 9 5.049 5.049 4.859 0.190 25827 5948 1 15 . 1 1 9 9 SER C C 9 172.023 172.023 172.907 -0.884 25827 5949 1 15 . 1 1 9 9 SER CA C 9 57.822 57.822 57.336 0.486 25827 5950 1 15 . 1 1 9 9 SER CB C 9 67.178 67.178 65.794 1.384 25827 5951 1 15 . 1 1 9 9 SER H H 9 9.329 9.329 8.502 0.827 25827 5952 1 15 . 1 1 10 10 THR N N 10 119.646 119.646 113.745 5.901 25827 5953 1 15 . 1 1 10 10 THR HA H 10 5.423 5.423 5.612 -0.189 25827 5954 1 15 . 1 1 10 10 THR C C 10 173.754 173.754 174.164 -0.410 25827 5955 1 15 . 1 1 10 10 THR CA C 10 61.591 61.591 59.944 1.647 25827 5956 1 15 . 1 1 10 10 THR CB C 10 70.230 70.230 70.974 -0.744 25827 5957 1 15 . 1 1 10 10 THR H H 10 8.790 8.790 8.187 0.603 25827 5958 1 15 . 1 1 11 11 VAL N N 11 122.726 122.726 122.901 -0.175 25827 5959 1 15 . 1 1 11 11 VAL HA H 11 4.688 4.688 4.831 -0.143 25827 5960 1 15 . 1 1 11 11 VAL C C 11 174.940 174.940 174.812 0.128 25827 5961 1 15 . 1 1 11 11 VAL CA C 11 59.487 59.487 60.996 -1.509 25827 5962 1 15 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.085 0.122 25827 5963 1 15 . 1 1 11 11 VAL H H 11 8.973 8.973 9.088 -0.115 25827 5964 1 15 . 1 1 12 12 ARG N N 12 127.240 127.240 126.653 0.587 25827 5965 1 15 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.907 -0.356 25827 5966 1 15 . 1 1 12 12 ARG C C 12 175.632 175.632 174.475 1.157 25827 5967 1 15 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.968 0.763 25827 5968 1 15 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.370 -1.350 25827 5969 1 15 . 1 1 12 12 ARG H H 12 9.274 9.274 9.323 -0.049 25827 5970 1 15 . 1 1 13 13 ILE N N 13 123.234 123.234 123.221 0.013 25827 5971 1 15 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.806 -0.065 25827 5972 1 15 . 1 1 13 13 ILE C C 13 174.540 174.540 174.126 0.414 25827 5973 1 15 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.813 1.165 25827 5974 1 15 . 1 1 13 13 ILE CB C 13 41.487 41.487 41.523 -0.036 25827 5975 1 15 . 1 1 13 13 ILE H H 13 8.210 8.210 7.942 0.268 25827 5976 1 15 . 1 1 14 14 LEU N N 14 128.287 128.287 131.174 -2.887 25827 5977 1 15 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.784 -0.019 25827 5978 1 15 . 1 1 14 14 LEU C C 14 177.391 177.391 174.544 2.847 25827 5979 1 15 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.046 0.061 25827 5980 1 15 . 1 1 14 14 LEU CB C 14 43.616 43.616 45.731 -2.115 25827 5981 1 15 . 1 1 14 14 LEU H H 14 9.146 9.146 9.211 -0.065 25827 5982 1 15 . 1 1 15 15 GLY N N 15 107.835 107.835 110.342 -2.507 25827 5983 1 15 . 1 1 15 15 GLY C C 15 175.726 175.726 173.738 1.988 25827 5984 1 15 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.260 0.084 25827 5985 1 15 . 1 1 15 15 GLY H H 15 8.515 8.515 7.752 0.763 25827 5986 1 15 . 1 1 16 16 MET N N 16 120.244 120.244 118.638 1.606 25827 5987 1 15 . 1 1 16 16 MET HA H 16 4.699 4.699 4.424 0.275 25827 5988 1 15 . 1 1 16 16 MET C C 16 177.404 177.404 176.280 1.124 25827 5989 1 15 . 1 1 16 16 MET CA C 16 57.116 57.116 56.857 0.259 25827 5990 1 15 . 1 1 16 16 MET CB C 16 34.852 34.852 33.180 1.672 25827 5991 1 15 . 1 1 16 16 MET H H 16 8.925 8.925 8.929 -0.004 25827 5992 1 15 . 1 1 17 17 THR C C 17 174.700 174.700 174.198 0.502 25827 5993 1 15 . 1 1 17 17 THR CA C 17 62.736 62.736 61.072 1.664 25827 5994 1 15 . 1 1 17 17 THR CB C 17 64.427 64.427 70.335 -5.908 25827 5995 1 15 . 1 1 18 18 CYS N N 18 120.513 120.513 127.096 -6.583 25827 5996 1 15 . 1 1 18 18 CYS HA H 18 4.423 4.423 3.948 0.475 25827 5997 1 15 . 1 1 18 18 CYS C C 18 177.431 177.431 176.466 0.965 25827 5998 1 15 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.455 -5.948 25827 5999 1 15 . 1 1 18 18 CYS CB C 18 42.264 42.264 28.098 14.166 25827 6000 1 15 . 1 1 18 18 CYS H H 18 8.691 8.691 9.004 -0.313 25827 6001 1 15 . 1 1 19 19 GLN N N 19 121.231 121.231 119.501 1.730 25827 6002 1 15 . 1 1 19 19 GLN HA H 19 4.338 4.338 4.036 0.302 25827 6003 1 15 . 1 1 19 19 GLN C C 19 175.832 175.832 177.729 -1.897 25827 6004 1 15 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.273 -2.690 25827 6005 1 15 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.181 2.497 25827 6006 1 15 . 1 1 19 19 GLN H H 19 8.342 8.342 8.771 -0.429 25827 6007 1 15 . 1 1 20 20 SER N N 20 116.089 116.089 115.903 0.186 25827 6008 1 15 . 1 1 20 20 SER HA H 20 4.381 4.381 4.201 0.180 25827 6009 1 15 . 1 1 20 20 SER C C 20 177.004 177.004 176.505 0.499 25827 6010 1 15 . 1 1 20 20 SER H H 20 7.953 7.953 8.437 -0.484 25827 6011 1 15 . 1 1 21 21 CYS N N 21 125.147 125.147 119.392 5.755 25827 6012 1 15 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.332 -0.250 25827 6013 1 15 . 1 1 21 21 CYS C C 21 177.004 177.004 176.526 0.478 25827 6014 1 15 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.923 2.239 25827 6015 1 15 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.658 3.196 25827 6016 1 15 . 1 1 21 21 CYS H H 21 7.854 7.854 7.192 0.662 25827 6017 1 15 . 1 1 22 22 VAL N N 22 118.062 118.062 123.055 -4.993 25827 6018 1 15 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.546 0.806 25827 6019 1 15 . 1 1 22 22 VAL C C 22 177.178 177.178 178.018 -0.840 25827 6020 1 15 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.168 -0.623 25827 6021 1 15 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.341 0.389 25827 6022 1 15 . 1 1 22 22 VAL H H 22 6.834 6.834 7.761 -0.927 25827 6023 1 15 . 1 1 23 23 LYS N N 23 117.823 117.823 120.124 -2.301 25827 6024 1 15 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.926 0.156 25827 6025 1 15 . 1 1 23 23 LYS C C 23 178.456 178.456 179.102 -0.646 25827 6026 1 15 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.072 -1.278 25827 6027 1 15 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.092 0.347 25827 6028 1 15 . 1 1 23 23 LYS H H 23 7.936 7.936 8.425 -0.489 25827 6029 1 15 . 1 1 24 24 SER N N 24 113.895 113.895 115.797 -1.902 25827 6030 1 15 . 1 1 24 24 SER HA H 24 4.068 4.068 4.215 -0.147 25827 6031 1 15 . 1 1 24 24 SER C C 24 177.364 177.364 176.741 0.623 25827 6032 1 15 . 1 1 24 24 SER CA C 24 62.017 62.017 62.316 -0.299 25827 6033 1 15 . 1 1 24 24 SER CB C 24 62.600 62.600 63.162 -0.562 25827 6034 1 15 . 1 1 24 24 SER H H 24 8.062 8.062 7.940 0.122 25827 6035 1 15 . 1 1 25 25 ILE N N 25 122.845 122.845 122.633 0.212 25827 6036 1 15 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.762 -0.220 25827 6037 1 15 . 1 1 25 25 ILE C C 25 177.537 177.537 176.764 0.773 25827 6038 1 15 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.110 1.902 25827 6039 1 15 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.894 0.897 25827 6040 1 15 . 1 1 25 25 ILE H H 25 7.888 7.888 8.231 -0.343 25827 6041 1 15 . 1 1 26 26 GLU N N 26 118.630 118.630 120.776 -2.146 25827 6042 1 15 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.949 -0.321 25827 6043 1 15 . 1 1 26 26 GLU C C 26 180.041 180.041 178.888 1.153 25827 6044 1 15 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.623 1.555 25827 6045 1 15 . 1 1 26 26 GLU CB C 26 29.601 29.601 28.986 0.615 25827 6046 1 15 . 1 1 26 26 GLU H H 26 8.519 8.519 8.045 0.474 25827 6047 1 15 . 1 1 27 27 ASP N N 27 119.676 119.676 119.506 0.170 25827 6048 1 15 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.406 -0.068 25827 6049 1 15 . 1 1 27 27 ASP C C 27 178.070 178.070 178.888 -0.818 25827 6050 1 15 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.388 0.141 25827 6051 1 15 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.543 -0.120 25827 6052 1 15 . 1 1 27 27 ASP H H 27 8.973 8.973 8.038 0.935 25827 6053 1 15 . 1 1 28 28 ARG N N 28 118.092 118.092 119.457 -1.365 25827 6054 1 15 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.189 -0.008 25827 6055 1 15 . 1 1 28 28 ARG C C 28 179.296 179.296 178.911 0.385 25827 6056 1 15 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.243 0.352 25827 6057 1 15 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.049 0.261 25827 6058 1 15 . 1 1 28 28 ARG H H 28 7.630 7.630 7.475 0.155 25827 6059 1 15 . 1 1 29 29 ILE N N 29 116.597 116.597 120.010 -3.413 25827 6060 1 15 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.831 0.116 25827 6061 1 15 . 1 1 29 29 ILE C C 29 177.777 177.777 177.789 -0.012 25827 6062 1 15 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.159 -3.474 25827 6063 1 15 . 1 1 29 29 ILE CB C 29 35.278 35.278 38.196 -2.918 25827 6064 1 15 . 1 1 29 29 ILE H H 29 8.427 8.427 8.437 -0.010 25827 6065 1 15 . 1 1 30 30 SER N N 30 113.160 113.160 116.022 -2.862 25827 6066 1 15 . 1 1 30 30 SER HA H 30 4.049 4.049 4.170 -0.121 25827 6067 1 15 . 1 1 30 30 SER C C 30 173.941 173.941 175.811 -1.870 25827 6068 1 15 . 1 1 30 30 SER CA C 30 62.110 62.110 61.421 0.689 25827 6069 1 15 . 1 1 30 30 SER CB C 30 62.884 62.884 63.062 -0.178 25827 6070 1 15 . 1 1 30 30 SER H H 30 8.236 8.236 8.428 -0.192 25827 6071 1 15 . 1 1 31 31 ASN N N 31 115.520 115.520 119.122 -3.602 25827 6072 1 15 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.563 0.211 25827 6073 1 15 . 1 1 31 31 ASN C C 31 175.046 175.046 175.207 -0.161 25827 6074 1 15 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.701 -1.154 25827 6075 1 15 . 1 1 31 31 ASN CB C 31 39.997 39.997 39.077 0.920 25827 6076 1 15 . 1 1 31 31 ASN H H 31 6.919 6.919 7.682 -0.763 25827 6077 1 15 . 1 1 32 32 LEU N N 32 122.666 122.666 121.236 1.430 25827 6078 1 15 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.370 -0.034 25827 6079 1 15 . 1 1 32 32 LEU C C 32 177.071 177.071 175.765 1.306 25827 6080 1 15 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.165 0.674 25827 6081 1 15 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.730 -0.923 25827 6082 1 15 . 1 1 32 32 LEU H H 32 7.620 7.620 7.232 0.388 25827 6083 1 15 . 1 1 33 33 LYS N N 33 125.955 125.955 127.501 -1.546 25827 6084 1 15 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.285 -0.231 25827 6085 1 15 . 1 1 33 33 LYS C C 33 176.698 176.698 177.129 -0.431 25827 6086 1 15 . 1 1 33 33 LYS CA C 33 57.982 57.982 57.173 0.809 25827 6087 1 15 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.855 -0.913 25827 6088 1 15 . 1 1 33 33 LYS H H 33 8.451 8.451 8.644 -0.193 25827 6089 1 15 . 1 1 34 34 GLY N N 34 110.541 110.541 111.530 -0.989 25827 6090 1 15 . 1 1 34 34 GLY C C 34 173.381 173.381 173.812 -0.431 25827 6091 1 15 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.552 0.992 25827 6092 1 15 . 1 1 34 34 GLY H H 34 8.616 8.616 8.650 -0.034 25827 6093 1 15 . 1 1 35 35 ILE N N 35 119.258 119.258 120.410 -1.152 25827 6094 1 15 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.191 0.081 25827 6095 1 15 . 1 1 35 35 ILE C C 35 176.352 176.352 175.992 0.360 25827 6096 1 15 . 1 1 35 35 ILE CA C 35 58.608 58.608 62.060 -3.452 25827 6097 1 15 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.057 -3.028 25827 6098 1 15 . 1 1 35 35 ILE H H 35 7.580 7.580 7.991 -0.411 25827 6099 1 15 . 1 1 36 36 ILE N N 36 130.708 130.708 129.072 1.636 25827 6100 1 15 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.304 -0.223 25827 6101 1 15 . 1 1 36 36 ILE C C 36 176.298 176.298 176.335 -0.037 25827 6102 1 15 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.043 -0.252 25827 6103 1 15 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.460 -0.308 25827 6104 1 15 . 1 1 36 36 ILE H H 36 9.244 9.244 8.948 0.296 25827 6105 1 15 . 1 1 37 37 SER N N 37 111.336 111.336 113.062 -1.726 25827 6106 1 15 . 1 1 37 37 SER HA H 37 4.613 4.613 4.610 0.003 25827 6107 1 15 . 1 1 37 37 SER C C 37 171.809 171.809 171.965 -0.156 25827 6108 1 15 . 1 1 37 37 SER CA C 37 57.636 57.636 58.302 -0.666 25827 6109 1 15 . 1 1 37 37 SER CB C 37 64.729 64.729 64.978 -0.249 25827 6110 1 15 . 1 1 37 37 SER H H 37 8.002 8.002 8.199 -0.197 25827 6111 1 15 . 1 1 38 38 MET N N 38 123.742 123.742 124.364 -0.622 25827 6112 1 15 . 1 1 38 38 MET HA H 38 5.006 5.006 4.944 0.062 25827 6113 1 15 . 1 1 38 38 MET C C 38 172.755 172.755 174.307 -1.552 25827 6114 1 15 . 1 1 38 38 MET CA C 38 54.719 54.719 54.569 0.150 25827 6115 1 15 . 1 1 38 38 MET CB C 38 35.562 35.562 35.901 -0.339 25827 6116 1 15 . 1 1 38 38 MET H H 38 8.651 8.651 8.500 0.151 25827 6117 1 15 . 1 1 39 39 LYS N N 39 126.343 126.343 128.235 -1.892 25827 6118 1 15 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.696 0.258 25827 6119 1 15 . 1 1 39 39 LYS C C 39 175.872 175.872 173.799 2.073 25827 6120 1 15 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.086 -1.179 25827 6121 1 15 . 1 1 39 39 LYS CB C 39 34.604 34.604 34.885 -0.281 25827 6122 1 15 . 1 1 39 39 LYS H H 39 8.173 8.173 9.207 -1.034 25827 6123 1 15 . 1 1 40 40 VAL N N 40 131.217 131.217 125.283 5.934 25827 6124 1 15 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.310 -0.043 25827 6125 1 15 . 1 1 40 40 VAL C C 40 174.327 174.327 174.381 -0.054 25827 6126 1 15 . 1 1 40 40 VAL CA C 40 61.899 61.899 60.724 1.175 25827 6127 1 15 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.781 -1.164 25827 6128 1 15 . 1 1 40 40 VAL H H 40 10.339 10.339 8.489 1.850 25827 6129 1 15 . 1 1 41 41 SER N N 41 121.440 121.440 125.366 -3.926 25827 6130 1 15 . 1 1 41 41 SER HA H 41 4.878 4.878 4.729 0.149 25827 6131 1 15 . 1 1 41 41 SER C C 41 175.179 175.179 174.929 0.250 25827 6132 1 15 . 1 1 41 41 SER CA C 41 55.359 55.359 56.963 -1.604 25827 6133 1 15 . 1 1 41 41 SER CB C 41 63.381 63.381 62.583 0.798 25827 6134 1 15 . 1 1 41 41 SER H H 41 9.122 9.122 8.440 0.682 25827 6135 1 15 . 1 1 42 42 LEU N N 42 131.575 131.575 126.676 4.899 25827 6136 1 15 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.981 0.824 25827 6137 1 15 . 1 1 42 42 LEU C C 42 179.189 179.189 178.659 0.530 25827 6138 1 15 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.669 0.593 25827 6139 1 15 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.082 -0.169 25827 6140 1 15 . 1 1 42 42 LEU H H 42 9.139 9.139 8.221 0.918 25827 6141 1 15 . 1 1 43 43 GLU N N 43 117.524 117.524 118.130 -0.606 25827 6142 1 15 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.012 0.793 25827 6143 1 15 . 1 1 43 43 GLU C C 43 178.456 178.456 177.995 0.461 25827 6144 1 15 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.671 1.255 25827 6145 1 15 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.990 0.327 25827 6146 1 15 . 1 1 43 43 GLU H H 43 9.041 9.041 8.213 0.828 25827 6147 1 15 . 1 1 44 44 GLN N N 44 113.278 113.278 118.138 -4.860 25827 6148 1 15 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.240 0.096 25827 6149 1 15 . 1 1 44 44 GLN C C 44 176.765 176.765 176.900 -0.135 25827 6150 1 15 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.163 -0.618 25827 6151 1 15 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.109 0.492 25827 6152 1 15 . 1 1 44 44 GLN H H 44 7.651 7.651 7.787 -0.136 25827 6153 1 15 . 1 1 45 45 GLY N N 45 110.453 110.453 107.355 3.098 25827 6154 1 15 . 1 1 45 45 GLY C C 45 174.487 174.487 173.264 1.223 25827 6155 1 15 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.281 2.061 25827 6156 1 15 . 1 1 45 45 GLY H H 45 7.884 7.884 8.075 -0.191 25827 6157 1 15 . 1 1 46 46 SER N N 46 111.130 111.130 114.508 -3.378 25827 6158 1 15 . 1 1 46 46 SER HA H 46 5.412 5.412 5.465 -0.053 25827 6159 1 15 . 1 1 46 46 SER C C 46 171.503 171.503 172.148 -0.645 25827 6160 1 15 . 1 1 46 46 SER CA C 46 56.544 56.544 56.729 -0.185 25827 6161 1 15 . 1 1 46 46 SER CB C 46 66.327 66.327 65.308 1.018 25827 6162 1 15 . 1 1 46 46 SER H H 46 7.807 7.807 7.528 0.279 25827 6163 1 15 . 1 1 47 47 ALA N N 47 120.663 120.663 125.479 -4.816 25827 6164 1 15 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.061 0.234 25827 6165 1 15 . 1 1 47 47 ALA C C 47 175.806 175.806 175.764 0.042 25827 6166 1 15 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.221 0.131 25827 6167 1 15 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.287 2.664 25827 6168 1 15 . 1 1 47 47 ALA H H 47 9.349 9.349 9.031 0.318 25827 6169 1 15 . 1 1 48 48 THR N N 48 117.344 117.344 118.800 -1.456 25827 6170 1 15 . 1 1 48 48 THR HA H 48 4.880 4.880 5.178 -0.298 25827 6171 1 15 . 1 1 48 48 THR C C 48 173.847 173.847 173.811 0.036 25827 6172 1 15 . 1 1 48 48 THR CA C 48 62.163 62.163 62.092 0.071 25827 6173 1 15 . 1 1 48 48 THR CB C 48 69.698 69.698 69.715 -0.017 25827 6174 1 15 . 1 1 48 48 THR H H 48 8.634 8.634 9.077 -0.443 25827 6175 1 15 . 1 1 49 49 VAL N N 49 129.782 129.782 122.040 7.742 25827 6176 1 15 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.580 0.278 25827 6177 1 15 . 1 1 49 49 VAL C C 49 173.208 173.208 173.632 -0.424 25827 6178 1 15 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.355 0.505 25827 6179 1 15 . 1 1 49 49 VAL CB C 49 34.852 34.852 34.749 0.103 25827 6180 1 15 . 1 1 49 49 VAL H H 49 9.400 9.400 9.151 0.249 25827 6181 1 15 . 1 1 50 50 LYS N N 50 128.107 128.107 123.943 4.164 25827 6182 1 15 . 1 1 50 50 LYS HA H 50 5.924 5.924 4.951 0.973 25827 6183 1 15 . 1 1 50 50 LYS C C 50 176.671 176.671 174.212 2.459 25827 6184 1 15 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.267 -0.214 25827 6185 1 15 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.839 -0.484 25827 6186 1 15 . 1 1 50 50 LYS H H 50 8.997 8.997 8.121 0.876 25827 6187 1 15 . 1 1 51 51 TYR N N 51 124.310 124.310 123.015 1.295 25827 6188 1 15 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.837 0.714 25827 6189 1 15 . 1 1 51 51 TYR C C 51 171.343 171.343 174.406 -3.063 25827 6190 1 15 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.492 -1.000 25827 6191 1 15 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.009 -1.557 25827 6192 1 15 . 1 1 51 51 TYR H H 51 9.478 9.478 8.918 0.560 25827 6193 1 15 . 1 1 52 52 VAL N N 52 122.068 122.068 121.523 0.545 25827 6194 1 15 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.527 0.193 25827 6195 1 15 . 1 1 52 52 VAL C C 52 176.045 176.045 175.174 0.871 25827 6196 1 15 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.317 -0.737 25827 6197 1 15 . 1 1 52 52 VAL CB C 52 32.688 32.688 32.017 0.672 25827 6198 1 15 . 1 1 52 52 VAL H H 52 8.702 8.702 9.277 -0.575 25827 6199 1 15 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.826 -0.459 25827 6200 1 15 . 1 1 53 53 PRO C C 53 177.111 177.111 177.858 -0.747 25827 6201 1 15 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.776 -0.435 25827 6202 1 15 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.979 -0.039 25827 6203 1 15 . 1 1 54 54 SER N N 54 109.924 109.924 114.058 -4.134 25827 6204 1 15 . 1 1 54 54 SER HA H 54 4.345 4.345 4.272 0.073 25827 6205 1 15 . 1 1 54 54 SER C C 54 174.580 174.580 175.768 -1.188 25827 6206 1 15 . 1 1 54 54 SER CA C 54 59.726 59.726 60.647 -0.921 25827 6207 1 15 . 1 1 54 54 SER CB C 54 62.635 62.635 63.134 -0.499 25827 6208 1 15 . 1 1 54 54 SER H H 54 7.898 7.898 8.473 -0.575 25827 6209 1 15 . 1 1 55 55 VAL N N 55 121.919 121.919 119.476 2.443 25827 6210 1 15 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.001 0.122 25827 6211 1 15 . 1 1 55 55 VAL C C 55 174.607 174.607 176.017 -1.410 25827 6212 1 15 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.244 -0.523 25827 6213 1 15 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.922 1.646 25827 6214 1 15 . 1 1 55 55 VAL H H 55 8.163 8.163 7.528 0.635 25827 6215 1 15 . 1 1 56 56 VAL N N 56 121.380 121.380 117.828 3.552 25827 6216 1 15 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.355 0.216 25827 6217 1 15 . 1 1 56 56 VAL C C 56 170.477 170.477 173.715 -3.238 25827 6218 1 15 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.089 -0.256 25827 6219 1 15 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.738 0.682 25827 6220 1 15 . 1 1 56 56 VAL H H 56 8.254 8.254 8.079 0.175 25827 6221 1 15 . 1 1 57 57 CYS N N 57 121.201 121.201 123.745 -2.544 25827 6222 1 15 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.745 0.359 25827 6223 1 15 . 1 1 57 57 CYS C C 57 176.591 176.591 175.692 0.899 25827 6224 1 15 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.867 -2.242 25827 6225 1 15 . 1 1 57 57 CYS CB C 57 30.878 30.878 30.029 0.849 25827 6226 1 15 . 1 1 57 57 CYS H H 57 7.885 7.885 8.539 -0.654 25827 6227 1 15 . 1 1 58 58 LEU N N 58 125.028 125.028 122.605 2.423 25827 6228 1 15 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.979 -0.351 25827 6229 1 15 . 1 1 58 58 LEU C C 58 179.335 179.335 179.216 0.119 25827 6230 1 15 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.772 -0.367 25827 6231 1 15 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.896 -0.588 25827 6232 1 15 . 1 1 58 58 LEU H H 58 8.555 8.555 8.598 -0.043 25827 6233 1 15 . 1 1 59 59 GLN N N 59 120.812 120.812 118.799 2.013 25827 6234 1 15 . 1 1 59 59 GLN HA H 59 3.969 3.969 4.046 -0.077 25827 6235 1 15 . 1 1 59 59 GLN C C 59 178.629 178.629 178.049 0.580 25827 6236 1 15 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.108 0.645 25827 6237 1 15 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.810 0.078 25827 6238 1 15 . 1 1 59 59 GLN H H 59 9.081 9.081 8.574 0.507 25827 6239 1 15 . 1 1 60 60 GLN N N 60 120.513 120.513 119.268 1.245 25827 6240 1 15 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.094 0.067 25827 6241 1 15 . 1 1 60 60 GLN C C 60 179.002 179.002 178.271 0.731 25827 6242 1 15 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.921 -0.034 25827 6243 1 15 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.464 0.285 25827 6244 1 15 . 1 1 60 60 GLN H H 60 7.793 7.793 7.660 0.133 25827 6245 1 15 . 1 1 61 61 VAL N N 61 119.886 119.886 119.537 0.349 25827 6246 1 15 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.557 -0.263 25827 6247 1 15 . 1 1 61 61 VAL C C 61 177.564 177.564 178.014 -0.450 25827 6248 1 15 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.551 0.553 25827 6249 1 15 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.442 -0.209 25827 6250 1 15 . 1 1 61 61 VAL H H 61 7.359 7.359 7.459 -0.100 25827 6251 1 15 . 1 1 62 62 CYS N N 62 116.059 116.059 118.956 -2.897 25827 6252 1 15 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.054 -0.250 25827 6253 1 15 . 1 1 62 62 CYS C C 62 177.630 177.630 176.839 0.791 25827 6254 1 15 . 1 1 62 62 CYS CA C 62 64.667 64.667 63.123 1.544 25827 6255 1 15 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.417 0.096 25827 6256 1 15 . 1 1 62 62 CYS H H 62 8.034 8.034 8.284 -0.250 25827 6257 1 15 . 1 1 63 63 HIS N N 63 121.440 121.440 120.452 0.988 25827 6258 1 15 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.170 0.253 25827 6259 1 15 . 1 1 63 63 HIS C C 63 178.097 178.097 177.316 0.781 25827 6260 1 15 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.098 -0.758 25827 6261 1 15 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.778 0.603 25827 6262 1 15 . 1 1 63 63 HIS H H 63 8.430 8.430 8.534 -0.104 25827 6263 1 15 . 1 1 64 64 GLN N N 64 118.839 118.839 117.634 1.205 25827 6264 1 15 . 1 1 64 64 GLN HA H 64 4.027 4.027 3.976 0.051 25827 6265 1 15 . 1 1 64 64 GLN C C 64 178.536 178.536 178.488 0.048 25827 6266 1 15 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.539 0.801 25827 6267 1 15 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.239 -0.129 25827 6268 1 15 . 1 1 64 64 GLN H H 64 8.102 8.102 7.809 0.293 25827 6269 1 15 . 1 1 65 65 ILE N N 65 119.228 119.228 119.784 -0.556 25827 6270 1 15 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.940 -0.255 25827 6271 1 15 . 1 1 65 65 ILE C C 65 178.656 178.656 177.601 1.055 25827 6272 1 15 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.487 2.565 25827 6273 1 15 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.022 0.343 25827 6274 1 15 . 1 1 65 65 ILE H H 65 7.858 7.858 7.447 0.411 25827 6275 1 15 . 1 1 66 66 GLY N N 66 109.453 109.453 107.668 1.785 25827 6276 1 15 . 1 1 66 66 GLY C C 66 178.643 178.643 175.970 2.673 25827 6277 1 15 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.090 0.012 25827 6278 1 15 . 1 1 66 66 GLY H H 66 8.379 8.379 8.271 0.108 25827 6279 1 15 . 1 1 67 67 ASP N N 67 123.114 123.114 121.375 1.739 25827 6280 1 15 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.216 0.248 25827 6281 1 15 . 1 1 67 67 ASP C C 67 177.497 177.497 177.776 -0.279 25827 6282 1 15 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.468 0.089 25827 6283 1 15 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.797 0.300 25827 6284 1 15 . 1 1 67 67 ASP H H 67 8.091 8.091 8.193 -0.102 25827 6285 1 15 . 1 1 68 68 MET N N 68 115.939 115.939 117.214 -1.275 25827 6286 1 15 . 1 1 68 68 MET HA H 68 4.297 4.297 4.197 0.100 25827 6287 1 15 . 1 1 68 68 MET C C 68 175.739 175.739 176.849 -1.110 25827 6288 1 15 . 1 1 68 68 MET CA C 68 56.490 56.490 55.808 0.682 25827 6289 1 15 . 1 1 68 68 MET CB C 68 34.355 34.355 33.114 1.241 25827 6290 1 15 . 1 1 68 68 MET H H 68 7.576 7.576 7.481 0.095 25827 6291 1 15 . 1 1 69 69 GLY N N 69 104.775 104.775 105.435 -0.660 25827 6292 1 15 . 1 1 69 69 GLY C C 69 173.328 173.328 173.597 -0.269 25827 6293 1 15 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.279 0.506 25827 6294 1 15 . 1 1 69 69 GLY H H 69 7.880 7.880 7.586 0.294 25827 6295 1 15 . 1 1 70 70 PHE N N 70 118.809 118.809 119.875 -1.066 25827 6296 1 15 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.680 0.232 25827 6297 1 15 . 1 1 70 70 PHE C C 70 173.768 173.768 174.135 -0.367 25827 6298 1 15 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.125 0.033 25827 6299 1 15 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.053 -0.417 25827 6300 1 15 . 1 1 70 70 PHE H H 70 6.905 6.905 7.221 -0.316 25827 6301 1 15 . 1 1 71 71 GLU N N 71 119.497 119.497 123.116 -3.619 25827 6302 1 15 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.744 -0.163 25827 6303 1 15 . 1 1 71 71 GLU C C 71 174.993 174.993 174.678 0.315 25827 6304 1 15 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.513 0.699 25827 6305 1 15 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.800 -0.425 25827 6306 1 15 . 1 1 71 71 GLU H H 71 8.081 8.081 8.641 -0.560 25827 6307 1 15 . 1 1 72 72 ALA N N 72 129.662 129.662 129.457 0.205 25827 6308 1 15 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.461 0.374 25827 6309 1 15 . 1 1 72 72 ALA C C 72 176.179 176.179 176.217 -0.038 25827 6310 1 15 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.443 -0.451 25827 6311 1 15 . 1 1 72 72 ALA CB C 72 22.964 22.964 21.651 1.313 25827 6312 1 15 . 1 1 72 72 ALA H H 72 8.925 8.925 8.425 0.500 25827 6313 1 15 . 1 1 73 73 SER N N 73 114.042 114.042 117.154 -3.112 25827 6314 1 15 . 1 1 73 73 SER HA H 73 4.716 4.716 4.852 -0.136 25827 6315 1 15 . 1 1 73 73 SER C C 73 172.675 172.675 173.608 -0.933 25827 6316 1 15 . 1 1 73 73 SER CA C 73 57.156 57.156 56.978 0.178 25827 6317 1 15 . 1 1 73 73 SER CB C 73 65.581 65.581 67.051 -1.470 25827 6318 1 15 . 1 1 73 73 SER H H 73 8.794 8.794 8.578 0.216 25827 6319 1 15 . 1 1 74 74 ILE N N 74 122.487 122.487 124.909 -2.422 25827 6320 1 15 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.194 -0.218 25827 6321 1 15 . 1 1 74 74 ILE C C 74 176.045 176.045 175.163 0.882 25827 6322 1 15 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.435 1.141 25827 6323 1 15 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.952 -0.481 25827 6324 1 15 . 1 1 74 74 ILE H H 74 8.813 8.813 8.694 0.118 25827 6325 1 15 . 1 1 75 75 ALA N N 75 131.516 131.516 131.366 0.150 25827 6326 1 15 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.725 -0.261 25827 6327 1 15 . 1 1 75 75 ALA C C 75 176.045 176.045 175.967 0.078 25827 6328 1 15 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.890 1.339 25827 6329 1 15 . 1 1 75 75 ALA CB C 75 19.842 19.842 20.496 -0.654 25827 6330 1 15 . 1 1 75 75 ALA H H 75 8.400 8.400 8.948 -0.548 25827 6331 1 16 . 1 1 2 2 GLY N N 2 109.659 109.659 110.347 -0.688 25827 6332 1 16 . 1 1 2 2 GLY C C 2 174.061 174.061 173.748 0.313 25827 6333 1 16 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.198 0.453 25827 6334 1 16 . 1 1 2 2 GLY H H 2 8.539 8.539 8.439 0.100 25827 6335 1 16 . 1 1 3 3 HIS N N 3 120.603 120.603 118.023 2.580 25827 6336 1 16 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.508 -0.099 25827 6337 1 16 . 1 1 3 3 HIS C C 3 176.072 176.072 174.707 1.365 25827 6338 1 16 . 1 1 3 3 HIS CA C 3 56.011 56.011 56.841 -0.830 25827 6339 1 16 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.184 3.178 25827 6340 1 16 . 1 1 3 3 HIS H H 3 8.030 8.030 8.280 -0.249 25827 6341 1 16 . 1 1 4 4 MET N N 4 124.310 124.310 123.801 0.509 25827 6342 1 16 . 1 1 4 4 MET C C 4 176.179 176.179 174.885 1.294 25827 6343 1 16 . 1 1 4 4 MET CA C 4 61.071 61.071 54.097 6.974 25827 6344 1 16 . 1 1 4 4 MET CB C 4 38.720 38.720 34.963 3.757 25827 6345 1 16 . 1 1 4 4 MET H H 4 8.410 8.410 7.619 0.791 25827 6346 1 16 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.064 0.232 25827 6347 1 16 . 1 1 5 5 GLN C C 5 174.687 174.687 175.467 -0.780 25827 6348 1 16 . 1 1 5 5 GLN CA C 5 56.218 56.218 57.552 -1.334 25827 6349 1 16 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.291 0.270 25827 6350 1 16 . 1 1 6 6 VAL N N 6 120.095 120.095 117.289 2.806 25827 6351 1 16 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.166 0.181 25827 6352 1 16 . 1 1 6 6 VAL C C 6 174.807 174.807 174.836 -0.029 25827 6353 1 16 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.429 -0.011 25827 6354 1 16 . 1 1 6 6 VAL CB C 6 34.320 34.320 32.174 2.146 25827 6355 1 16 . 1 1 6 6 VAL H H 6 7.942 7.942 7.510 0.432 25827 6356 1 16 . 1 1 7 7 ALA N N 7 130.230 130.230 131.643 -1.413 25827 6357 1 16 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.773 -0.138 25827 6358 1 16 . 1 1 7 7 ALA C C 7 174.913 174.913 176.151 -1.238 25827 6359 1 16 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.585 0.099 25827 6360 1 16 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.949 -0.312 25827 6361 1 16 . 1 1 7 7 ALA H H 7 8.952 8.952 8.982 -0.030 25827 6362 1 16 . 1 1 8 8 THR N N 8 114.219 114.219 113.027 1.192 25827 6363 1 16 . 1 1 8 8 THR HA H 8 5.594 5.594 5.610 -0.016 25827 6364 1 16 . 1 1 8 8 THR C C 8 174.846 174.846 173.943 0.903 25827 6365 1 16 . 1 1 8 8 THR CA C 8 61.524 61.524 59.416 2.108 25827 6366 1 16 . 1 1 8 8 THR CB C 8 71.228 71.228 71.292 -0.064 25827 6367 1 16 . 1 1 8 8 THR H H 8 8.211 8.211 8.205 0.006 25827 6368 1 16 . 1 1 9 9 SER N N 9 121.231 121.231 117.923 3.308 25827 6369 1 16 . 1 1 9 9 SER HA H 9 5.049 5.049 4.765 0.284 25827 6370 1 16 . 1 1 9 9 SER C C 9 172.023 172.023 172.469 -0.446 25827 6371 1 16 . 1 1 9 9 SER CA C 9 57.822 57.822 57.827 -0.005 25827 6372 1 16 . 1 1 9 9 SER CB C 9 67.178 67.178 65.474 1.704 25827 6373 1 16 . 1 1 9 9 SER H H 9 9.329 9.329 8.654 0.675 25827 6374 1 16 . 1 1 10 10 THR N N 10 119.646 119.646 116.167 3.479 25827 6375 1 16 . 1 1 10 10 THR HA H 10 5.423 5.423 5.593 -0.170 25827 6376 1 16 . 1 1 10 10 THR C C 10 173.754 173.754 173.534 0.220 25827 6377 1 16 . 1 1 10 10 THR CA C 10 61.591 61.591 59.723 1.868 25827 6378 1 16 . 1 1 10 10 THR CB C 10 70.230 70.230 71.261 -1.031 25827 6379 1 16 . 1 1 10 10 THR H H 10 8.790 8.790 8.813 -0.023 25827 6380 1 16 . 1 1 11 11 VAL N N 11 122.726 122.726 117.275 5.451 25827 6381 1 16 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.311 -0.623 25827 6382 1 16 . 1 1 11 11 VAL C C 11 174.940 174.940 174.004 0.936 25827 6383 1 16 . 1 1 11 11 VAL CA C 11 59.487 59.487 58.999 0.488 25827 6384 1 16 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.775 -0.568 25827 6385 1 16 . 1 1 11 11 VAL H H 11 8.973 8.973 9.259 -0.286 25827 6386 1 16 . 1 1 12 12 ARG N N 12 127.240 127.240 122.542 4.698 25827 6387 1 16 . 1 1 12 12 ARG HA H 12 4.551 4.551 5.297 -0.746 25827 6388 1 16 . 1 1 12 12 ARG C C 12 175.632 175.632 175.465 0.167 25827 6389 1 16 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.018 1.713 25827 6390 1 16 . 1 1 12 12 ARG CB C 12 31.020 31.020 33.066 -2.046 25827 6391 1 16 . 1 1 12 12 ARG H H 12 9.274 9.274 9.155 0.119 25827 6392 1 16 . 1 1 13 13 ILE N N 13 123.234 123.234 118.239 4.995 25827 6393 1 16 . 1 1 13 13 ILE HA H 13 4.741 4.741 5.070 -0.329 25827 6394 1 16 . 1 1 13 13 ILE C C 13 174.540 174.540 174.329 0.211 25827 6395 1 16 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.204 1.774 25827 6396 1 16 . 1 1 13 13 ILE CB C 13 41.487 41.487 41.147 0.340 25827 6397 1 16 . 1 1 13 13 ILE H H 13 8.210 8.210 8.714 -0.504 25827 6398 1 16 . 1 1 14 14 LEU N N 14 128.287 128.287 126.561 1.726 25827 6399 1 16 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.774 -0.009 25827 6400 1 16 . 1 1 14 14 LEU C C 14 177.391 177.391 175.071 2.320 25827 6401 1 16 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.346 -0.239 25827 6402 1 16 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.289 -0.673 25827 6403 1 16 . 1 1 14 14 LEU H H 14 9.146 9.146 8.972 0.174 25827 6404 1 16 . 1 1 15 15 GLY N N 15 107.835 107.835 112.524 -4.689 25827 6405 1 16 . 1 1 15 15 GLY C C 15 175.726 175.726 174.896 0.830 25827 6406 1 16 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.564 -0.220 25827 6407 1 16 . 1 1 15 15 GLY H H 15 8.515 8.515 8.049 0.466 25827 6408 1 16 . 1 1 16 16 MET N N 16 120.244 120.244 119.865 0.379 25827 6409 1 16 . 1 1 16 16 MET HA H 16 4.699 4.699 4.478 0.221 25827 6410 1 16 . 1 1 16 16 MET C C 16 177.404 177.404 177.496 -0.092 25827 6411 1 16 . 1 1 16 16 MET CA C 16 57.116 57.116 57.122 -0.006 25827 6412 1 16 . 1 1 16 16 MET CB C 16 34.852 34.852 32.432 2.420 25827 6413 1 16 . 1 1 16 16 MET H H 16 8.925 8.925 8.727 0.198 25827 6414 1 16 . 1 1 17 17 THR C C 17 174.700 174.700 174.567 0.133 25827 6415 1 16 . 1 1 17 17 THR CA C 17 62.736 62.736 60.403 2.333 25827 6416 1 16 . 1 1 17 17 THR CB C 17 64.427 64.427 67.165 -2.738 25827 6417 1 16 . 1 1 18 18 CYS N N 18 120.513 120.513 118.874 1.639 25827 6418 1 16 . 1 1 18 18 CYS HA H 18 4.423 4.423 3.993 0.430 25827 6419 1 16 . 1 1 18 18 CYS C C 18 177.431 177.431 176.201 1.230 25827 6420 1 16 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.829 -5.322 25827 6421 1 16 . 1 1 18 18 CYS CB C 18 42.264 42.264 28.096 14.168 25827 6422 1 16 . 1 1 18 18 CYS H H 18 8.691 8.691 8.022 0.669 25827 6423 1 16 . 1 1 19 19 GLN N N 19 121.231 121.231 120.702 0.529 25827 6424 1 16 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.944 0.394 25827 6425 1 16 . 1 1 19 19 GLN C C 19 175.832 175.832 177.760 -1.928 25827 6426 1 16 . 1 1 19 19 GLN CA C 19 56.583 56.583 58.320 -1.737 25827 6427 1 16 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.024 3.654 25827 6428 1 16 . 1 1 19 19 GLN H H 19 8.342 8.342 8.398 -0.056 25827 6429 1 16 . 1 1 20 20 SER N N 20 116.089 116.089 116.037 0.052 25827 6430 1 16 . 1 1 20 20 SER HA H 20 4.381 4.381 4.179 0.202 25827 6431 1 16 . 1 1 20 20 SER C C 20 177.004 177.004 176.183 0.821 25827 6432 1 16 . 1 1 20 20 SER H H 20 7.953 7.953 7.802 0.151 25827 6433 1 16 . 1 1 21 21 CYS N N 21 125.147 125.147 119.537 5.610 25827 6434 1 16 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.071 0.011 25827 6435 1 16 . 1 1 21 21 CYS C C 21 177.004 177.004 176.776 0.228 25827 6436 1 16 . 1 1 21 21 CYS CA C 21 63.162 63.162 61.135 2.027 25827 6437 1 16 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.507 3.347 25827 6438 1 16 . 1 1 21 21 CYS H H 21 7.854 7.854 7.359 0.495 25827 6439 1 16 . 1 1 22 22 VAL N N 22 118.062 118.062 122.292 -4.230 25827 6440 1 16 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.552 0.800 25827 6441 1 16 . 1 1 22 22 VAL C C 22 177.178 177.178 178.295 -1.117 25827 6442 1 16 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.633 -0.088 25827 6443 1 16 . 1 1 22 22 VAL CB C 22 31.730 31.730 30.932 0.798 25827 6444 1 16 . 1 1 22 22 VAL H H 22 6.834 6.834 7.607 -0.773 25827 6445 1 16 . 1 1 23 23 LYS N N 23 117.823 117.823 120.180 -2.357 25827 6446 1 16 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.956 0.126 25827 6447 1 16 . 1 1 23 23 LYS C C 23 178.456 178.456 179.351 -0.895 25827 6448 1 16 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.985 -1.191 25827 6449 1 16 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.137 0.302 25827 6450 1 16 . 1 1 23 23 LYS H H 23 7.936 7.936 7.703 0.233 25827 6451 1 16 . 1 1 24 24 SER N N 24 113.895 113.895 114.973 -1.078 25827 6452 1 16 . 1 1 24 24 SER HA H 24 4.068 4.068 4.240 -0.172 25827 6453 1 16 . 1 1 24 24 SER C C 24 177.364 177.364 176.830 0.534 25827 6454 1 16 . 1 1 24 24 SER CA C 24 62.017 62.017 61.801 0.216 25827 6455 1 16 . 1 1 24 24 SER CB C 24 62.600 62.600 63.104 -0.504 25827 6456 1 16 . 1 1 24 24 SER H H 24 8.062 8.062 8.177 -0.115 25827 6457 1 16 . 1 1 25 25 ILE N N 25 122.845 122.845 117.230 5.615 25827 6458 1 16 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.909 -0.367 25827 6459 1 16 . 1 1 25 25 ILE C C 25 177.537 177.537 177.019 0.518 25827 6460 1 16 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.867 2.145 25827 6461 1 16 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.454 1.337 25827 6462 1 16 . 1 1 25 25 ILE H H 25 7.888 7.888 8.250 -0.362 25827 6463 1 16 . 1 1 26 26 GLU N N 26 118.630 118.630 122.658 -4.028 25827 6464 1 16 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.890 -0.262 25827 6465 1 16 . 1 1 26 26 GLU C C 26 180.041 180.041 178.351 1.690 25827 6466 1 16 . 1 1 26 26 GLU CA C 26 61.178 61.178 60.057 1.121 25827 6467 1 16 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.455 0.146 25827 6468 1 16 . 1 1 26 26 GLU H H 26 8.519 8.519 8.154 0.365 25827 6469 1 16 . 1 1 27 27 ASP N N 27 119.676 119.676 118.950 0.726 25827 6470 1 16 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.424 -0.086 25827 6471 1 16 . 1 1 27 27 ASP C C 27 178.070 178.070 179.267 -1.197 25827 6472 1 16 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.121 0.408 25827 6473 1 16 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.267 0.156 25827 6474 1 16 . 1 1 27 27 ASP H H 27 8.973 8.973 7.871 1.102 25827 6475 1 16 . 1 1 28 28 ARG N N 28 118.092 118.092 120.078 -1.986 25827 6476 1 16 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.120 0.061 25827 6477 1 16 . 1 1 28 28 ARG C C 28 179.296 179.296 178.821 0.475 25827 6478 1 16 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.390 0.205 25827 6479 1 16 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.864 0.446 25827 6480 1 16 . 1 1 28 28 ARG H H 28 7.630 7.630 7.366 0.264 25827 6481 1 16 . 1 1 29 29 ILE N N 29 116.597 116.597 120.042 -3.445 25827 6482 1 16 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.696 0.251 25827 6483 1 16 . 1 1 29 29 ILE C C 29 177.777 177.777 178.534 -0.757 25827 6484 1 16 . 1 1 29 29 ILE CA C 29 60.685 60.685 65.106 -4.421 25827 6485 1 16 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.786 -2.508 25827 6486 1 16 . 1 1 29 29 ILE H H 29 8.427 8.427 8.605 -0.178 25827 6487 1 16 . 1 1 30 30 SER N N 30 113.160 113.160 115.723 -2.563 25827 6488 1 16 . 1 1 30 30 SER HA H 30 4.049 4.049 4.205 -0.156 25827 6489 1 16 . 1 1 30 30 SER C C 30 173.941 173.941 175.892 -1.951 25827 6490 1 16 . 1 1 30 30 SER CA C 30 62.110 62.110 61.130 0.980 25827 6491 1 16 . 1 1 30 30 SER CB C 30 62.884 62.884 62.806 0.078 25827 6492 1 16 . 1 1 30 30 SER H H 30 8.236 8.236 8.516 -0.280 25827 6493 1 16 . 1 1 31 31 ASN N N 31 115.520 115.520 119.005 -3.485 25827 6494 1 16 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.636 0.138 25827 6495 1 16 . 1 1 31 31 ASN C C 31 175.046 175.046 175.413 -0.367 25827 6496 1 16 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.140 -0.593 25827 6497 1 16 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.836 1.161 25827 6498 1 16 . 1 1 31 31 ASN H H 31 6.919 6.919 7.932 -1.013 25827 6499 1 16 . 1 1 32 32 LEU N N 32 122.666 122.666 121.940 0.726 25827 6500 1 16 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.366 -0.030 25827 6501 1 16 . 1 1 32 32 LEU C C 32 177.071 177.071 175.568 1.503 25827 6502 1 16 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.744 0.095 25827 6503 1 16 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.635 -0.828 25827 6504 1 16 . 1 1 32 32 LEU H H 32 7.620 7.620 7.225 0.395 25827 6505 1 16 . 1 1 33 33 LYS N N 33 125.955 125.955 126.979 -1.024 25827 6506 1 16 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.405 -0.351 25827 6507 1 16 . 1 1 33 33 LYS C C 33 176.698 176.698 176.849 -0.151 25827 6508 1 16 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.881 1.101 25827 6509 1 16 . 1 1 33 33 LYS CB C 33 31.942 31.942 33.024 -1.082 25827 6510 1 16 . 1 1 33 33 LYS H H 33 8.451 8.451 8.535 -0.084 25827 6511 1 16 . 1 1 34 34 GLY N N 34 110.541 110.541 109.522 1.019 25827 6512 1 16 . 1 1 34 34 GLY C C 34 173.381 173.381 174.470 -1.089 25827 6513 1 16 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.653 0.891 25827 6514 1 16 . 1 1 34 34 GLY H H 34 8.616 8.616 8.631 -0.015 25827 6515 1 16 . 1 1 35 35 ILE N N 35 119.258 119.258 117.752 1.506 25827 6516 1 16 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.456 -0.184 25827 6517 1 16 . 1 1 35 35 ILE C C 35 176.352 176.352 174.749 1.603 25827 6518 1 16 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.820 -3.212 25827 6519 1 16 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.644 -3.615 25827 6520 1 16 . 1 1 35 35 ILE H H 35 7.580 7.580 7.313 0.267 25827 6521 1 16 . 1 1 36 36 ILE N N 36 130.708 130.708 126.568 4.140 25827 6522 1 16 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.366 -0.285 25827 6523 1 16 . 1 1 36 36 ILE C C 36 176.298 176.298 176.351 -0.053 25827 6524 1 16 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.012 -0.221 25827 6525 1 16 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.008 0.144 25827 6526 1 16 . 1 1 36 36 ILE H H 36 9.244 9.244 8.863 0.381 25827 6527 1 16 . 1 1 37 37 SER N N 37 111.336 111.336 110.830 0.506 25827 6528 1 16 . 1 1 37 37 SER HA H 37 4.613 4.613 4.599 0.014 25827 6529 1 16 . 1 1 37 37 SER C C 37 171.809 171.809 171.805 0.004 25827 6530 1 16 . 1 1 37 37 SER CA C 37 57.636 57.636 57.904 -0.268 25827 6531 1 16 . 1 1 37 37 SER CB C 37 64.729 64.729 64.876 -0.147 25827 6532 1 16 . 1 1 37 37 SER H H 37 8.002 8.002 7.988 0.014 25827 6533 1 16 . 1 1 38 38 MET N N 38 123.742 123.742 115.158 8.584 25827 6534 1 16 . 1 1 38 38 MET HA H 38 5.006 5.006 4.934 0.072 25827 6535 1 16 . 1 1 38 38 MET C C 38 172.755 172.755 174.488 -1.733 25827 6536 1 16 . 1 1 38 38 MET CA C 38 54.719 54.719 55.052 -0.333 25827 6537 1 16 . 1 1 38 38 MET CB C 38 35.562 35.562 37.048 -1.486 25827 6538 1 16 . 1 1 38 38 MET H H 38 8.651 8.651 8.112 0.539 25827 6539 1 16 . 1 1 39 39 LYS N N 39 126.343 126.343 120.653 5.690 25827 6540 1 16 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.724 0.230 25827 6541 1 16 . 1 1 39 39 LYS C C 39 175.872 175.872 174.672 1.200 25827 6542 1 16 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.236 -1.329 25827 6543 1 16 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.893 -1.289 25827 6544 1 16 . 1 1 39 39 LYS H H 39 8.173 8.173 8.865 -0.692 25827 6545 1 16 . 1 1 40 40 VAL N N 40 131.217 131.217 124.265 6.952 25827 6546 1 16 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.263 0.003 25827 6547 1 16 . 1 1 40 40 VAL C C 40 174.327 174.327 175.048 -0.721 25827 6548 1 16 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.410 0.489 25827 6549 1 16 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.639 -1.022 25827 6550 1 16 . 1 1 40 40 VAL H H 40 10.339 10.339 8.584 1.755 25827 6551 1 16 . 1 1 41 41 SER N N 41 121.440 121.440 122.404 -0.964 25827 6552 1 16 . 1 1 41 41 SER HA H 41 4.878 4.878 4.758 0.120 25827 6553 1 16 . 1 1 41 41 SER C C 41 175.179 175.179 174.684 0.495 25827 6554 1 16 . 1 1 41 41 SER CA C 41 55.359 55.359 56.170 -0.811 25827 6555 1 16 . 1 1 41 41 SER CB C 41 63.381 63.381 63.806 -0.425 25827 6556 1 16 . 1 1 41 41 SER H H 41 9.122 9.122 8.595 0.527 25827 6557 1 16 . 1 1 42 42 LEU N N 42 131.575 131.575 130.305 1.270 25827 6558 1 16 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.062 0.743 25827 6559 1 16 . 1 1 42 42 LEU C C 42 179.189 179.189 177.988 1.201 25827 6560 1 16 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.438 0.824 25827 6561 1 16 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.170 -0.257 25827 6562 1 16 . 1 1 42 42 LEU H H 42 9.139 9.139 8.816 0.323 25827 6563 1 16 . 1 1 43 43 GLU N N 43 117.524 117.524 117.532 -0.008 25827 6564 1 16 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.017 0.788 25827 6565 1 16 . 1 1 43 43 GLU C C 43 178.456 178.456 178.038 0.418 25827 6566 1 16 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.958 0.968 25827 6567 1 16 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.995 0.322 25827 6568 1 16 . 1 1 43 43 GLU H H 43 9.041 9.041 8.559 0.482 25827 6569 1 16 . 1 1 44 44 GLN N N 44 113.278 113.278 117.996 -4.718 25827 6570 1 16 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.214 0.122 25827 6571 1 16 . 1 1 44 44 GLN C C 44 176.765 176.765 177.341 -0.576 25827 6572 1 16 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.269 -0.724 25827 6573 1 16 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.580 0.021 25827 6574 1 16 . 1 1 44 44 GLN H H 44 7.651 7.651 7.708 -0.057 25827 6575 1 16 . 1 1 45 45 GLY N N 45 110.453 110.453 108.169 2.284 25827 6576 1 16 . 1 1 45 45 GLY C C 45 174.487 174.487 173.654 0.833 25827 6577 1 16 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.678 1.664 25827 6578 1 16 . 1 1 45 45 GLY H H 45 7.884 7.884 8.209 -0.325 25827 6579 1 16 . 1 1 46 46 SER N N 46 111.130 111.130 115.777 -4.647 25827 6580 1 16 . 1 1 46 46 SER HA H 46 5.412 5.412 5.670 -0.258 25827 6581 1 16 . 1 1 46 46 SER C C 46 171.503 171.503 172.342 -0.839 25827 6582 1 16 . 1 1 46 46 SER CA C 46 56.544 56.544 56.847 -0.303 25827 6583 1 16 . 1 1 46 46 SER CB C 46 66.327 66.327 66.901 -0.574 25827 6584 1 16 . 1 1 46 46 SER H H 46 7.807 7.807 7.437 0.370 25827 6585 1 16 . 1 1 47 47 ALA N N 47 120.663 120.663 124.104 -3.441 25827 6586 1 16 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.140 0.155 25827 6587 1 16 . 1 1 47 47 ALA C C 47 175.806 175.806 175.597 0.209 25827 6588 1 16 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.472 -0.120 25827 6589 1 16 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.575 2.376 25827 6590 1 16 . 1 1 47 47 ALA H H 47 9.349 9.349 9.191 0.158 25827 6591 1 16 . 1 1 48 48 THR N N 48 117.344 117.344 119.055 -1.711 25827 6592 1 16 . 1 1 48 48 THR HA H 48 4.880 4.880 5.246 -0.366 25827 6593 1 16 . 1 1 48 48 THR C C 48 173.847 173.847 173.998 -0.151 25827 6594 1 16 . 1 1 48 48 THR CA C 48 62.163 62.163 61.582 0.581 25827 6595 1 16 . 1 1 48 48 THR CB C 48 69.698 69.698 70.183 -0.485 25827 6596 1 16 . 1 1 48 48 THR H H 48 8.634 8.634 9.031 -0.397 25827 6597 1 16 . 1 1 49 49 VAL N N 49 129.782 129.782 121.047 8.735 25827 6598 1 16 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.526 0.332 25827 6599 1 16 . 1 1 49 49 VAL C C 49 173.208 173.208 173.403 -0.195 25827 6600 1 16 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.401 0.459 25827 6601 1 16 . 1 1 49 49 VAL CB C 49 34.852 34.852 34.041 0.811 25827 6602 1 16 . 1 1 49 49 VAL H H 49 9.400 9.400 9.312 0.088 25827 6603 1 16 . 1 1 50 50 LYS N N 50 128.107 128.107 124.724 3.383 25827 6604 1 16 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.009 0.915 25827 6605 1 16 . 1 1 50 50 LYS C C 50 176.671 176.671 174.163 2.508 25827 6606 1 16 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.015 0.037 25827 6607 1 16 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.743 -0.388 25827 6608 1 16 . 1 1 50 50 LYS H H 50 8.997 8.997 8.202 0.795 25827 6609 1 16 . 1 1 51 51 TYR N N 51 124.310 124.310 123.679 0.631 25827 6610 1 16 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.775 0.776 25827 6611 1 16 . 1 1 51 51 TYR C C 51 171.343 171.343 173.925 -2.582 25827 6612 1 16 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.811 -1.319 25827 6613 1 16 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.277 -1.825 25827 6614 1 16 . 1 1 51 51 TYR H H 51 9.478 9.478 8.987 0.491 25827 6615 1 16 . 1 1 52 52 VAL N N 52 122.068 122.068 116.951 5.117 25827 6616 1 16 . 1 1 52 52 VAL HA H 52 4.720 4.720 5.042 -0.322 25827 6617 1 16 . 1 1 52 52 VAL C C 52 176.045 176.045 174.951 1.094 25827 6618 1 16 . 1 1 52 52 VAL CA C 52 59.580 59.580 57.968 1.612 25827 6619 1 16 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.545 1.143 25827 6620 1 16 . 1 1 52 52 VAL H H 52 8.702 8.702 9.090 -0.388 25827 6621 1 16 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.594 -0.227 25827 6622 1 16 . 1 1 53 53 PRO C C 53 177.111 177.111 178.256 -1.145 25827 6623 1 16 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.748 -1.406 25827 6624 1 16 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.033 -0.093 25827 6625 1 16 . 1 1 54 54 SER N N 54 109.924 109.924 112.247 -2.323 25827 6626 1 16 . 1 1 54 54 SER HA H 54 4.345 4.345 4.290 0.055 25827 6627 1 16 . 1 1 54 54 SER C C 54 174.580 174.580 175.841 -1.261 25827 6628 1 16 . 1 1 54 54 SER CA C 54 59.726 59.726 61.244 -1.518 25827 6629 1 16 . 1 1 54 54 SER CB C 54 62.635 62.635 63.620 -0.985 25827 6630 1 16 . 1 1 54 54 SER H H 54 7.898 7.898 8.396 -0.498 25827 6631 1 16 . 1 1 55 55 VAL N N 55 121.919 121.919 118.277 3.642 25827 6632 1 16 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.141 -0.018 25827 6633 1 16 . 1 1 55 55 VAL C C 55 174.607 174.607 175.693 -1.086 25827 6634 1 16 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.440 0.281 25827 6635 1 16 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.707 0.861 25827 6636 1 16 . 1 1 55 55 VAL H H 55 8.163 8.163 7.482 0.681 25827 6637 1 16 . 1 1 56 56 VAL N N 56 121.380 121.380 118.977 2.403 25827 6638 1 16 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.318 0.253 25827 6639 1 16 . 1 1 56 56 VAL C C 56 170.477 170.477 173.783 -3.306 25827 6640 1 16 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.398 -0.565 25827 6641 1 16 . 1 1 56 56 VAL CB C 56 35.420 35.420 35.539 -0.119 25827 6642 1 16 . 1 1 56 56 VAL H H 56 8.254 8.254 8.414 -0.160 25827 6643 1 16 . 1 1 57 57 CYS N N 57 121.201 121.201 127.138 -5.937 25827 6644 1 16 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.793 0.311 25827 6645 1 16 . 1 1 57 57 CYS C C 57 176.591 176.591 175.418 1.173 25827 6646 1 16 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.897 -2.272 25827 6647 1 16 . 1 1 57 57 CYS CB C 57 30.878 30.878 28.979 1.899 25827 6648 1 16 . 1 1 57 57 CYS H H 57 7.885 7.885 8.687 -0.802 25827 6649 1 16 . 1 1 58 58 LEU N N 58 125.028 125.028 128.935 -3.907 25827 6650 1 16 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.935 -0.307 25827 6651 1 16 . 1 1 58 58 LEU C C 58 179.335 179.335 178.719 0.616 25827 6652 1 16 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.233 -0.828 25827 6653 1 16 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.970 -0.662 25827 6654 1 16 . 1 1 58 58 LEU H H 58 8.555 8.555 9.103 -0.548 25827 6655 1 16 . 1 1 59 59 GLN N N 59 120.812 120.812 117.591 3.221 25827 6656 1 16 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.988 -0.019 25827 6657 1 16 . 1 1 59 59 GLN C C 59 178.629 178.629 178.319 0.310 25827 6658 1 16 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.889 0.864 25827 6659 1 16 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.977 -0.089 25827 6660 1 16 . 1 1 59 59 GLN H H 59 9.081 9.081 8.226 0.855 25827 6661 1 16 . 1 1 60 60 GLN N N 60 120.513 120.513 118.467 2.046 25827 6662 1 16 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.238 -0.077 25827 6663 1 16 . 1 1 60 60 GLN C C 60 179.002 179.002 178.490 0.512 25827 6664 1 16 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.513 0.374 25827 6665 1 16 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.428 0.321 25827 6666 1 16 . 1 1 60 60 GLN H H 60 7.793 7.793 7.620 0.173 25827 6667 1 16 . 1 1 61 61 VAL N N 61 119.886 119.886 120.507 -0.621 25827 6668 1 16 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.985 -0.691 25827 6669 1 16 . 1 1 61 61 VAL C C 61 177.564 177.564 178.347 -0.783 25827 6670 1 16 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.327 0.777 25827 6671 1 16 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.173 0.060 25827 6672 1 16 . 1 1 61 61 VAL H H 61 7.359 7.359 7.595 -0.236 25827 6673 1 16 . 1 1 62 62 CYS N N 62 116.059 116.059 118.507 -2.448 25827 6674 1 16 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.017 -0.213 25827 6675 1 16 . 1 1 62 62 CYS C C 62 177.630 177.630 176.785 0.845 25827 6676 1 16 . 1 1 62 62 CYS CA C 62 64.667 64.667 62.833 1.834 25827 6677 1 16 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.375 0.138 25827 6678 1 16 . 1 1 62 62 CYS H H 62 8.034 8.034 7.792 0.242 25827 6679 1 16 . 1 1 63 63 HIS N N 63 121.440 121.440 118.405 3.035 25827 6680 1 16 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.249 0.174 25827 6681 1 16 . 1 1 63 63 HIS C C 63 178.097 178.097 177.994 0.103 25827 6682 1 16 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.517 -1.177 25827 6683 1 16 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.540 0.841 25827 6684 1 16 . 1 1 63 63 HIS H H 63 8.430 8.430 7.942 0.488 25827 6685 1 16 . 1 1 64 64 GLN N N 64 118.839 118.839 118.897 -0.058 25827 6686 1 16 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.073 -0.046 25827 6687 1 16 . 1 1 64 64 GLN C C 64 178.536 178.536 178.650 -0.114 25827 6688 1 16 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.300 0.040 25827 6689 1 16 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.595 -0.485 25827 6690 1 16 . 1 1 64 64 GLN H H 64 8.102 8.102 7.998 0.104 25827 6691 1 16 . 1 1 65 65 ILE N N 65 119.228 119.228 120.109 -0.881 25827 6692 1 16 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.922 -0.237 25827 6693 1 16 . 1 1 65 65 ILE C C 65 178.656 178.656 177.328 1.328 25827 6694 1 16 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.581 2.471 25827 6695 1 16 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.071 0.294 25827 6696 1 16 . 1 1 65 65 ILE H H 65 7.858 7.858 7.509 0.349 25827 6697 1 16 . 1 1 66 66 GLY N N 66 109.453 109.453 107.963 1.490 25827 6698 1 16 . 1 1 66 66 GLY C C 66 178.643 178.643 176.519 2.124 25827 6699 1 16 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.386 -0.284 25827 6700 1 16 . 1 1 66 66 GLY H H 66 8.379 8.379 8.148 0.231 25827 6701 1 16 . 1 1 67 67 ASP N N 67 123.114 123.114 121.878 1.236 25827 6702 1 16 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.510 -0.046 25827 6703 1 16 . 1 1 67 67 ASP C C 67 177.497 177.497 177.770 -0.273 25827 6704 1 16 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.130 0.426 25827 6705 1 16 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.963 0.134 25827 6706 1 16 . 1 1 67 67 ASP H H 67 8.091 8.091 8.509 -0.418 25827 6707 1 16 . 1 1 68 68 MET N N 68 115.939 115.939 117.277 -1.338 25827 6708 1 16 . 1 1 68 68 MET HA H 68 4.297 4.297 4.357 -0.060 25827 6709 1 16 . 1 1 68 68 MET C C 68 175.739 175.739 177.115 -1.376 25827 6710 1 16 . 1 1 68 68 MET CA C 68 56.490 56.490 55.954 0.536 25827 6711 1 16 . 1 1 68 68 MET CB C 68 34.355 34.355 33.428 0.927 25827 6712 1 16 . 1 1 68 68 MET H H 68 7.576 7.576 7.531 0.045 25827 6713 1 16 . 1 1 69 69 GLY N N 69 104.775 104.775 104.838 -0.063 25827 6714 1 16 . 1 1 69 69 GLY C C 69 173.328 173.328 173.905 -0.577 25827 6715 1 16 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.382 0.403 25827 6716 1 16 . 1 1 69 69 GLY H H 69 7.880 7.880 7.546 0.334 25827 6717 1 16 . 1 1 70 70 PHE N N 70 118.809 118.809 120.430 -1.621 25827 6718 1 16 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.763 0.149 25827 6719 1 16 . 1 1 70 70 PHE C C 70 173.768 173.768 174.340 -0.572 25827 6720 1 16 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.203 -1.045 25827 6721 1 16 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.273 -0.637 25827 6722 1 16 . 1 1 70 70 PHE H H 70 6.905 6.905 7.924 -1.019 25827 6723 1 16 . 1 1 71 71 GLU N N 71 119.497 119.497 123.189 -3.692 25827 6724 1 16 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.574 0.007 25827 6725 1 16 . 1 1 71 71 GLU C C 71 174.993 174.993 174.709 0.284 25827 6726 1 16 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.513 0.699 25827 6727 1 16 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.704 -0.329 25827 6728 1 16 . 1 1 71 71 GLU H H 71 8.081 8.081 8.538 -0.457 25827 6729 1 16 . 1 1 72 72 ALA N N 72 129.662 129.662 127.928 1.734 25827 6730 1 16 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.281 0.554 25827 6731 1 16 . 1 1 72 72 ALA C C 72 176.179 176.179 175.888 0.291 25827 6732 1 16 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.420 -0.428 25827 6733 1 16 . 1 1 72 72 ALA CB C 72 22.964 22.964 21.970 0.994 25827 6734 1 16 . 1 1 72 72 ALA H H 72 8.925 8.925 8.297 0.628 25827 6735 1 16 . 1 1 73 73 SER N N 73 114.042 114.042 115.988 -1.946 25827 6736 1 16 . 1 1 73 73 SER HA H 73 4.716 4.716 4.825 -0.109 25827 6737 1 16 . 1 1 73 73 SER C C 73 172.675 172.675 173.781 -1.106 25827 6738 1 16 . 1 1 73 73 SER CA C 73 57.156 57.156 56.744 0.412 25827 6739 1 16 . 1 1 73 73 SER CB C 73 65.581 65.581 65.431 0.150 25827 6740 1 16 . 1 1 73 73 SER H H 73 8.794 8.794 8.802 -0.008 25827 6741 1 16 . 1 1 74 74 ILE N N 74 122.487 122.487 127.176 -4.689 25827 6742 1 16 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.789 -0.813 25827 6743 1 16 . 1 1 74 74 ILE C C 74 176.045 176.045 174.601 1.444 25827 6744 1 16 . 1 1 74 74 ILE CA C 74 62.576 62.576 59.775 2.801 25827 6745 1 16 . 1 1 74 74 ILE CB C 74 38.471 38.471 39.931 -1.460 25827 6746 1 16 . 1 1 74 74 ILE H H 74 8.813 8.813 8.637 0.176 25827 6747 1 16 . 1 1 75 75 ALA N N 75 131.516 131.516 131.075 0.441 25827 6748 1 16 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.753 -0.289 25827 6749 1 16 . 1 1 75 75 ALA C C 75 176.045 176.045 175.382 0.663 25827 6750 1 16 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.808 1.421 25827 6751 1 16 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.403 -2.561 25827 6752 1 16 . 1 1 75 75 ALA H H 75 8.400 8.400 8.996 -0.596 25827 6753 1 17 . 1 1 2 2 GLY N N 2 109.659 109.659 107.901 1.758 25827 6754 1 17 . 1 1 2 2 GLY C C 2 174.061 174.061 173.983 0.078 25827 6755 1 17 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.840 0.811 25827 6756 1 17 . 1 1 2 2 GLY H H 2 8.539 8.539 8.080 0.459 25827 6757 1 17 . 1 1 3 3 HIS N N 3 120.603 120.603 123.495 -2.892 25827 6758 1 17 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.592 -0.183 25827 6759 1 17 . 1 1 3 3 HIS C C 3 176.072 176.072 174.604 1.468 25827 6760 1 17 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.784 0.227 25827 6761 1 17 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.191 3.171 25827 6762 1 17 . 1 1 3 3 HIS H H 3 8.030 8.030 8.429 -0.399 25827 6763 1 17 . 1 1 4 4 MET N N 4 124.310 124.310 127.271 -2.961 25827 6764 1 17 . 1 1 4 4 MET C C 4 176.179 176.179 175.824 0.355 25827 6765 1 17 . 1 1 4 4 MET CA C 4 61.071 61.071 54.697 6.374 25827 6766 1 17 . 1 1 4 4 MET CB C 4 38.720 38.720 31.938 6.782 25827 6767 1 17 . 1 1 4 4 MET H H 4 8.410 8.410 8.317 0.093 25827 6768 1 17 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.344 -0.048 25827 6769 1 17 . 1 1 5 5 GLN C C 5 174.687 174.687 174.873 -0.186 25827 6770 1 17 . 1 1 5 5 GLN CA C 5 56.218 56.218 54.837 1.381 25827 6771 1 17 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.558 0.003 25827 6772 1 17 . 1 1 6 6 VAL N N 6 120.095 120.095 121.116 -1.021 25827 6773 1 17 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.127 0.220 25827 6774 1 17 . 1 1 6 6 VAL C C 6 174.807 174.807 174.971 -0.164 25827 6775 1 17 . 1 1 6 6 VAL CA C 6 61.418 61.418 62.009 -0.591 25827 6776 1 17 . 1 1 6 6 VAL CB C 6 34.320 34.320 32.012 2.308 25827 6777 1 17 . 1 1 6 6 VAL H H 6 7.942 7.942 8.308 -0.366 25827 6778 1 17 . 1 1 7 7 ALA N N 7 130.230 130.230 132.440 -2.210 25827 6779 1 17 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.761 -0.126 25827 6780 1 17 . 1 1 7 7 ALA C C 7 174.913 174.913 175.296 -0.383 25827 6781 1 17 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.665 0.019 25827 6782 1 17 . 1 1 7 7 ALA CB C 7 21.637 21.637 20.520 1.117 25827 6783 1 17 . 1 1 7 7 ALA H H 7 8.952 8.952 8.232 0.720 25827 6784 1 17 . 1 1 8 8 THR N N 8 114.219 114.219 114.945 -0.726 25827 6785 1 17 . 1 1 8 8 THR HA H 8 5.594 5.594 5.528 0.066 25827 6786 1 17 . 1 1 8 8 THR C C 8 174.846 174.846 174.158 0.688 25827 6787 1 17 . 1 1 8 8 THR CA C 8 61.524 61.524 60.029 1.495 25827 6788 1 17 . 1 1 8 8 THR CB C 8 71.228 71.228 71.223 0.005 25827 6789 1 17 . 1 1 8 8 THR H H 8 8.211 8.211 8.356 -0.145 25827 6790 1 17 . 1 1 9 9 SER N N 9 121.231 121.231 117.687 3.544 25827 6791 1 17 . 1 1 9 9 SER HA H 9 5.049 5.049 4.934 0.115 25827 6792 1 17 . 1 1 9 9 SER C C 9 172.023 172.023 172.781 -0.758 25827 6793 1 17 . 1 1 9 9 SER CA C 9 57.822 57.822 58.029 -0.207 25827 6794 1 17 . 1 1 9 9 SER CB C 9 67.178 67.178 65.850 1.328 25827 6795 1 17 . 1 1 9 9 SER H H 9 9.329 9.329 8.663 0.666 25827 6796 1 17 . 1 1 10 10 THR N N 10 119.646 119.646 119.011 0.635 25827 6797 1 17 . 1 1 10 10 THR HA H 10 5.423 5.423 5.320 0.103 25827 6798 1 17 . 1 1 10 10 THR C C 10 173.754 173.754 174.045 -0.291 25827 6799 1 17 . 1 1 10 10 THR CA C 10 61.591 61.591 60.246 1.345 25827 6800 1 17 . 1 1 10 10 THR CB C 10 70.230 70.230 70.065 0.165 25827 6801 1 17 . 1 1 10 10 THR H H 10 8.790 8.790 8.918 -0.128 25827 6802 1 17 . 1 1 11 11 VAL N N 11 122.726 122.726 127.236 -4.510 25827 6803 1 17 . 1 1 11 11 VAL HA H 11 4.688 4.688 4.945 -0.257 25827 6804 1 17 . 1 1 11 11 VAL C C 11 174.940 174.940 174.790 0.150 25827 6805 1 17 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.950 -0.463 25827 6806 1 17 . 1 1 11 11 VAL CB C 11 35.207 35.207 33.725 1.482 25827 6807 1 17 . 1 1 11 11 VAL H H 11 8.973 8.973 9.009 -0.036 25827 6808 1 17 . 1 1 12 12 ARG N N 12 127.240 127.240 128.880 -1.640 25827 6809 1 17 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.870 -0.319 25827 6810 1 17 . 1 1 12 12 ARG C C 12 175.632 175.632 174.618 1.014 25827 6811 1 17 . 1 1 12 12 ARG CA C 12 55.731 55.731 55.044 0.687 25827 6812 1 17 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.133 -1.113 25827 6813 1 17 . 1 1 12 12 ARG H H 12 9.274 9.274 8.804 0.470 25827 6814 1 17 . 1 1 13 13 ILE N N 13 123.234 123.234 122.608 0.626 25827 6815 1 17 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.885 -0.144 25827 6816 1 17 . 1 1 13 13 ILE C C 13 174.540 174.540 173.981 0.559 25827 6817 1 17 . 1 1 13 13 ILE CA C 13 60.978 60.978 58.964 2.014 25827 6818 1 17 . 1 1 13 13 ILE CB C 13 41.487 41.487 41.396 0.091 25827 6819 1 17 . 1 1 13 13 ILE H H 13 8.210 8.210 8.711 -0.501 25827 6820 1 17 . 1 1 14 14 LEU N N 14 128.287 128.287 130.528 -2.241 25827 6821 1 17 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.768 -0.003 25827 6822 1 17 . 1 1 14 14 LEU C C 14 177.391 177.391 174.602 2.789 25827 6823 1 17 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.988 0.119 25827 6824 1 17 . 1 1 14 14 LEU CB C 14 43.616 43.616 43.912 -0.296 25827 6825 1 17 . 1 1 14 14 LEU H H 14 9.146 9.146 9.237 -0.091 25827 6826 1 17 . 1 1 15 15 GLY N N 15 107.835 107.835 111.234 -3.399 25827 6827 1 17 . 1 1 15 15 GLY C C 15 175.726 175.726 174.488 1.238 25827 6828 1 17 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.343 0.001 25827 6829 1 17 . 1 1 15 15 GLY H H 15 8.515 8.515 8.084 0.431 25827 6830 1 17 . 1 1 16 16 MET N N 16 120.244 120.244 117.920 2.324 25827 6831 1 17 . 1 1 16 16 MET HA H 16 4.699 4.699 4.515 0.184 25827 6832 1 17 . 1 1 16 16 MET C C 16 177.404 177.404 175.777 1.627 25827 6833 1 17 . 1 1 16 16 MET CA C 16 57.116 57.116 57.261 -0.145 25827 6834 1 17 . 1 1 16 16 MET CB C 16 34.852 34.852 32.845 2.007 25827 6835 1 17 . 1 1 16 16 MET H H 16 8.925 8.925 8.805 0.120 25827 6836 1 17 . 1 1 17 17 THR C C 17 174.700 174.700 173.857 0.843 25827 6837 1 17 . 1 1 17 17 THR CA C 17 62.736 62.736 60.261 2.475 25827 6838 1 17 . 1 1 17 17 THR CB C 17 64.427 64.427 69.312 -4.885 25827 6839 1 17 . 1 1 18 18 CYS N N 18 120.513 120.513 123.823 -3.310 25827 6840 1 17 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.053 0.370 25827 6841 1 17 . 1 1 18 18 CYS C C 18 177.431 177.431 176.576 0.855 25827 6842 1 17 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.866 -5.359 25827 6843 1 17 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.708 14.556 25827 6844 1 17 . 1 1 18 18 CYS H H 18 8.691 8.691 8.784 -0.093 25827 6845 1 17 . 1 1 19 19 GLN N N 19 121.231 121.231 119.371 1.860 25827 6846 1 17 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.979 0.359 25827 6847 1 17 . 1 1 19 19 GLN C C 19 175.832 175.832 177.238 -1.406 25827 6848 1 17 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.715 -3.132 25827 6849 1 17 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.242 2.436 25827 6850 1 17 . 1 1 19 19 GLN H H 19 8.342 8.342 8.551 -0.209 25827 6851 1 17 . 1 1 20 20 SER N N 20 116.089 116.089 115.620 0.469 25827 6852 1 17 . 1 1 20 20 SER HA H 20 4.381 4.381 4.216 0.165 25827 6853 1 17 . 1 1 20 20 SER C C 20 177.004 177.004 176.479 0.525 25827 6854 1 17 . 1 1 20 20 SER H H 20 7.953 7.953 8.356 -0.403 25827 6855 1 17 . 1 1 21 21 CYS N N 21 125.147 125.147 119.589 5.558 25827 6856 1 17 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.235 -0.153 25827 6857 1 17 . 1 1 21 21 CYS C C 21 177.004 177.004 176.430 0.574 25827 6858 1 17 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.460 2.702 25827 6859 1 17 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.808 3.046 25827 6860 1 17 . 1 1 21 21 CYS H H 21 7.854 7.854 7.266 0.588 25827 6861 1 17 . 1 1 22 22 VAL N N 22 118.062 118.062 122.086 -4.024 25827 6862 1 17 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.529 0.823 25827 6863 1 17 . 1 1 22 22 VAL C C 22 177.178 177.178 177.309 -0.131 25827 6864 1 17 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.535 0.010 25827 6865 1 17 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.679 0.051 25827 6866 1 17 . 1 1 22 22 VAL H H 22 6.834 6.834 8.245 -1.411 25827 6867 1 17 . 1 1 23 23 LYS N N 23 117.823 117.823 119.825 -2.002 25827 6868 1 17 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.960 0.122 25827 6869 1 17 . 1 1 23 23 LYS C C 23 178.456 178.456 178.913 -0.457 25827 6870 1 17 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.127 -1.333 25827 6871 1 17 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.187 0.252 25827 6872 1 17 . 1 1 23 23 LYS H H 23 7.936 7.936 8.242 -0.306 25827 6873 1 17 . 1 1 24 24 SER N N 24 113.895 113.895 115.823 -1.928 25827 6874 1 17 . 1 1 24 24 SER HA H 24 4.068 4.068 4.174 -0.106 25827 6875 1 17 . 1 1 24 24 SER C C 24 177.364 177.364 176.447 0.917 25827 6876 1 17 . 1 1 24 24 SER CA C 24 62.017 62.017 62.560 -0.543 25827 6877 1 17 . 1 1 24 24 SER CB C 24 62.600 62.600 63.138 -0.538 25827 6878 1 17 . 1 1 24 24 SER H H 24 8.062 8.062 7.626 0.436 25827 6879 1 17 . 1 1 25 25 ILE N N 25 122.845 122.845 122.236 0.609 25827 6880 1 17 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.791 -0.249 25827 6881 1 17 . 1 1 25 25 ILE C C 25 177.537 177.537 176.538 0.999 25827 6882 1 17 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.920 2.092 25827 6883 1 17 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.977 0.814 25827 6884 1 17 . 1 1 25 25 ILE H H 25 7.888 7.888 7.937 -0.049 25827 6885 1 17 . 1 1 26 26 GLU N N 26 118.630 118.630 121.802 -3.172 25827 6886 1 17 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.957 -0.329 25827 6887 1 17 . 1 1 26 26 GLU C C 26 180.041 180.041 179.107 0.934 25827 6888 1 17 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.655 1.523 25827 6889 1 17 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.447 0.154 25827 6890 1 17 . 1 1 26 26 GLU H H 26 8.519 8.519 8.459 0.060 25827 6891 1 17 . 1 1 27 27 ASP N N 27 119.676 119.676 120.034 -0.358 25827 6892 1 17 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.429 -0.091 25827 6893 1 17 . 1 1 27 27 ASP C C 27 178.070 178.070 178.891 -0.821 25827 6894 1 17 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.273 0.256 25827 6895 1 17 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.342 0.081 25827 6896 1 17 . 1 1 27 27 ASP H H 27 8.973 8.973 8.388 0.585 25827 6897 1 17 . 1 1 28 28 ARG N N 28 118.092 118.092 119.724 -1.632 25827 6898 1 17 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.090 0.091 25827 6899 1 17 . 1 1 28 28 ARG C C 28 179.296 179.296 179.059 0.237 25827 6900 1 17 . 1 1 28 28 ARG CA C 28 58.595 58.595 59.258 -0.663 25827 6901 1 17 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.367 -0.057 25827 6902 1 17 . 1 1 28 28 ARG H H 28 7.630 7.630 7.443 0.187 25827 6903 1 17 . 1 1 29 29 ILE N N 29 116.597 116.597 119.577 -2.980 25827 6904 1 17 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.671 0.276 25827 6905 1 17 . 1 1 29 29 ILE C C 29 177.777 177.777 177.269 0.508 25827 6906 1 17 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.943 -4.258 25827 6907 1 17 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.926 -2.648 25827 6908 1 17 . 1 1 29 29 ILE H H 29 8.427 8.427 8.205 0.222 25827 6909 1 17 . 1 1 30 30 SER N N 30 113.160 113.160 114.017 -0.857 25827 6910 1 17 . 1 1 30 30 SER HA H 30 4.049 4.049 4.162 -0.113 25827 6911 1 17 . 1 1 30 30 SER C C 30 173.941 173.941 175.900 -1.959 25827 6912 1 17 . 1 1 30 30 SER CA C 30 62.110 62.110 61.107 1.003 25827 6913 1 17 . 1 1 30 30 SER CB C 30 62.884 62.884 63.423 -0.539 25827 6914 1 17 . 1 1 30 30 SER H H 30 8.236 8.236 8.379 -0.143 25827 6915 1 17 . 1 1 31 31 ASN N N 31 115.520 115.520 119.182 -3.662 25827 6916 1 17 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.661 0.113 25827 6917 1 17 . 1 1 31 31 ASN C C 31 175.046 175.046 175.850 -0.804 25827 6918 1 17 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.181 -0.634 25827 6919 1 17 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.967 1.030 25827 6920 1 17 . 1 1 31 31 ASN H H 31 6.919 6.919 7.919 -1.000 25827 6921 1 17 . 1 1 32 32 LEU N N 32 122.666 122.666 120.768 1.898 25827 6922 1 17 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.394 -0.058 25827 6923 1 17 . 1 1 32 32 LEU C C 32 177.071 177.071 176.357 0.714 25827 6924 1 17 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.509 0.330 25827 6925 1 17 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.575 -0.768 25827 6926 1 17 . 1 1 32 32 LEU H H 32 7.620 7.620 7.364 0.256 25827 6927 1 17 . 1 1 33 33 LYS N N 33 125.955 125.955 124.090 1.865 25827 6928 1 17 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.190 -0.136 25827 6929 1 17 . 1 1 33 33 LYS C C 33 176.698 176.698 177.313 -0.615 25827 6930 1 17 . 1 1 33 33 LYS CA C 33 57.982 57.982 57.464 0.518 25827 6931 1 17 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.662 -0.720 25827 6932 1 17 . 1 1 33 33 LYS H H 33 8.451 8.451 8.552 -0.101 25827 6933 1 17 . 1 1 34 34 GLY N N 34 110.541 110.541 112.075 -1.534 25827 6934 1 17 . 1 1 34 34 GLY C C 34 173.381 173.381 173.606 -0.225 25827 6935 1 17 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.597 0.946 25827 6936 1 17 . 1 1 34 34 GLY H H 34 8.616 8.616 8.698 -0.082 25827 6937 1 17 . 1 1 35 35 ILE N N 35 119.258 119.258 121.488 -2.230 25827 6938 1 17 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.065 0.207 25827 6939 1 17 . 1 1 35 35 ILE C C 35 176.352 176.352 175.429 0.923 25827 6940 1 17 . 1 1 35 35 ILE CA C 35 58.608 58.608 62.099 -3.491 25827 6941 1 17 . 1 1 35 35 ILE CB C 35 35.029 35.029 37.723 -2.694 25827 6942 1 17 . 1 1 35 35 ILE H H 35 7.580 7.580 7.323 0.257 25827 6943 1 17 . 1 1 36 36 ILE N N 36 130.708 130.708 129.852 0.856 25827 6944 1 17 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.144 -0.063 25827 6945 1 17 . 1 1 36 36 ILE C C 36 176.298 176.298 176.439 -0.141 25827 6946 1 17 . 1 1 36 36 ILE CA C 36 61.791 61.791 63.157 -1.366 25827 6947 1 17 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.916 -0.764 25827 6948 1 17 . 1 1 36 36 ILE H H 36 9.244 9.244 8.264 0.980 25827 6949 1 17 . 1 1 37 37 SER N N 37 111.336 111.336 112.064 -0.728 25827 6950 1 17 . 1 1 37 37 SER HA H 37 4.613 4.613 4.686 -0.073 25827 6951 1 17 . 1 1 37 37 SER C C 37 171.809 171.809 172.108 -0.299 25827 6952 1 17 . 1 1 37 37 SER CA C 37 57.636 57.636 58.038 -0.401 25827 6953 1 17 . 1 1 37 37 SER CB C 37 64.729 64.729 65.100 -0.371 25827 6954 1 17 . 1 1 37 37 SER H H 37 8.002 8.002 7.757 0.245 25827 6955 1 17 . 1 1 38 38 MET N N 38 123.742 123.742 125.108 -1.366 25827 6956 1 17 . 1 1 38 38 MET HA H 38 5.006 5.006 5.254 -0.248 25827 6957 1 17 . 1 1 38 38 MET C C 38 172.755 172.755 174.325 -1.570 25827 6958 1 17 . 1 1 38 38 MET CA C 38 54.719 54.719 54.938 -0.219 25827 6959 1 17 . 1 1 38 38 MET CB C 38 35.562 35.562 36.215 -0.653 25827 6960 1 17 . 1 1 38 38 MET H H 38 8.651 8.651 8.463 0.188 25827 6961 1 17 . 1 1 39 39 LYS N N 39 126.343 126.343 126.482 -0.139 25827 6962 1 17 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.691 0.263 25827 6963 1 17 . 1 1 39 39 LYS C C 39 175.872 175.872 174.041 1.831 25827 6964 1 17 . 1 1 39 39 LYS CA C 39 53.907 53.907 54.795 -0.888 25827 6965 1 17 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.040 -1.436 25827 6966 1 17 . 1 1 39 39 LYS H H 39 8.173 8.173 9.187 -1.014 25827 6967 1 17 . 1 1 40 40 VAL N N 40 131.217 131.217 126.372 4.845 25827 6968 1 17 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.258 0.009 25827 6969 1 17 . 1 1 40 40 VAL C C 40 174.327 174.327 175.282 -0.955 25827 6970 1 17 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.808 0.091 25827 6971 1 17 . 1 1 40 40 VAL CB C 40 32.617 32.617 32.362 0.255 25827 6972 1 17 . 1 1 40 40 VAL H H 40 10.339 10.339 8.555 1.784 25827 6973 1 17 . 1 1 41 41 SER N N 41 121.440 121.440 124.343 -2.903 25827 6974 1 17 . 1 1 41 41 SER HA H 41 4.878 4.878 4.829 0.049 25827 6975 1 17 . 1 1 41 41 SER C C 41 175.179 175.179 174.654 0.525 25827 6976 1 17 . 1 1 41 41 SER CA C 41 55.359 55.359 56.577 -1.218 25827 6977 1 17 . 1 1 41 41 SER CB C 41 63.381 63.381 62.998 0.383 25827 6978 1 17 . 1 1 41 41 SER H H 41 9.122 9.122 8.527 0.595 25827 6979 1 17 . 1 1 42 42 LEU N N 42 131.575 131.575 125.408 6.167 25827 6980 1 17 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.936 0.869 25827 6981 1 17 . 1 1 42 42 LEU C C 42 179.189 179.189 178.206 0.983 25827 6982 1 17 . 1 1 42 42 LEU CA C 42 58.262 58.262 58.145 0.117 25827 6983 1 17 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.020 -0.107 25827 6984 1 17 . 1 1 42 42 LEU H H 42 9.139 9.139 8.626 0.513 25827 6985 1 17 . 1 1 43 43 GLU N N 43 117.524 117.524 118.516 -0.992 25827 6986 1 17 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.002 0.803 25827 6987 1 17 . 1 1 43 43 GLU C C 43 178.456 178.456 178.022 0.434 25827 6988 1 17 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.724 1.202 25827 6989 1 17 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.813 0.504 25827 6990 1 17 . 1 1 43 43 GLU H H 43 9.041 9.041 8.426 0.615 25827 6991 1 17 . 1 1 44 44 GLN N N 44 113.278 113.278 116.497 -3.219 25827 6992 1 17 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.282 0.054 25827 6993 1 17 . 1 1 44 44 GLN C C 44 176.765 176.765 176.859 -0.094 25827 6994 1 17 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.759 -0.214 25827 6995 1 17 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.312 0.289 25827 6996 1 17 . 1 1 44 44 GLN H H 44 7.651 7.651 8.275 -0.624 25827 6997 1 17 . 1 1 45 45 GLY N N 45 110.453 110.453 106.224 4.229 25827 6998 1 17 . 1 1 45 45 GLY C C 45 174.487 174.487 173.296 1.191 25827 6999 1 17 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.425 1.917 25827 7000 1 17 . 1 1 45 45 GLY H H 45 7.884 7.884 8.001 -0.117 25827 7001 1 17 . 1 1 46 46 SER N N 46 111.130 111.130 113.496 -2.366 25827 7002 1 17 . 1 1 46 46 SER HA H 46 5.412 5.412 5.335 0.077 25827 7003 1 17 . 1 1 46 46 SER C C 46 171.503 171.503 172.234 -0.731 25827 7004 1 17 . 1 1 46 46 SER CA C 46 56.544 56.544 56.743 -0.199 25827 7005 1 17 . 1 1 46 46 SER CB C 46 66.327 66.327 66.265 0.062 25827 7006 1 17 . 1 1 46 46 SER H H 46 7.807 7.807 7.843 -0.036 25827 7007 1 17 . 1 1 47 47 ALA N N 47 120.663 120.663 121.732 -1.069 25827 7008 1 17 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.072 0.223 25827 7009 1 17 . 1 1 47 47 ALA C C 47 175.806 175.806 176.025 -0.219 25827 7010 1 17 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.477 -0.125 25827 7011 1 17 . 1 1 47 47 ALA CB C 47 24.951 24.951 21.787 3.164 25827 7012 1 17 . 1 1 47 47 ALA H H 47 9.349 9.349 8.859 0.490 25827 7013 1 17 . 1 1 48 48 THR N N 48 117.344 117.344 121.279 -3.935 25827 7014 1 17 . 1 1 48 48 THR HA H 48 4.880 4.880 5.340 -0.460 25827 7015 1 17 . 1 1 48 48 THR C C 48 173.847 173.847 173.880 -0.033 25827 7016 1 17 . 1 1 48 48 THR CA C 48 62.163 62.163 61.731 0.432 25827 7017 1 17 . 1 1 48 48 THR CB C 48 69.698 69.698 69.919 -0.221 25827 7018 1 17 . 1 1 48 48 THR H H 48 8.634 8.634 9.067 -0.433 25827 7019 1 17 . 1 1 49 49 VAL N N 49 129.782 129.782 122.192 7.590 25827 7020 1 17 . 1 1 49 49 VAL HA H 49 4.858 4.858 5.369 -0.511 25827 7021 1 17 . 1 1 49 49 VAL C C 49 173.208 173.208 173.765 -0.557 25827 7022 1 17 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.056 0.804 25827 7023 1 17 . 1 1 49 49 VAL CB C 49 34.852 34.852 35.124 -0.272 25827 7024 1 17 . 1 1 49 49 VAL H H 49 9.400 9.400 9.116 0.284 25827 7025 1 17 . 1 1 50 50 LYS N N 50 128.107 128.107 121.783 6.324 25827 7026 1 17 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.683 0.241 25827 7027 1 17 . 1 1 50 50 LYS C C 50 176.671 176.671 175.258 1.413 25827 7028 1 17 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.445 0.607 25827 7029 1 17 . 1 1 50 50 LYS CB C 50 34.355 34.355 35.818 -1.463 25827 7030 1 17 . 1 1 50 50 LYS H H 50 8.997 8.997 8.864 0.133 25827 7031 1 17 . 1 1 51 51 TYR N N 51 124.310 124.310 118.533 5.777 25827 7032 1 17 . 1 1 51 51 TYR HA H 51 5.551 5.551 5.207 0.344 25827 7033 1 17 . 1 1 51 51 TYR C C 51 171.343 171.343 173.105 -1.762 25827 7034 1 17 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.445 -0.953 25827 7035 1 17 . 1 1 51 51 TYR CB C 51 41.452 41.452 40.804 0.648 25827 7036 1 17 . 1 1 51 51 TYR H H 51 9.478 9.478 8.160 1.318 25827 7037 1 17 . 1 1 52 52 VAL N N 52 122.068 122.068 119.991 2.077 25827 7038 1 17 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.494 0.226 25827 7039 1 17 . 1 1 52 52 VAL C C 52 176.045 176.045 175.600 0.445 25827 7040 1 17 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.326 0.254 25827 7041 1 17 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.436 1.252 25827 7042 1 17 . 1 1 52 52 VAL H H 52 8.702 8.702 8.093 0.609 25827 7043 1 17 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.746 -0.379 25827 7044 1 17 . 1 1 53 53 PRO C C 53 177.111 177.111 178.705 -1.594 25827 7045 1 17 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.861 -1.520 25827 7046 1 17 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.165 -0.225 25827 7047 1 17 . 1 1 54 54 SER N N 54 109.924 109.924 111.744 -1.820 25827 7048 1 17 . 1 1 54 54 SER HA H 54 4.345 4.345 4.342 0.003 25827 7049 1 17 . 1 1 54 54 SER C C 54 174.580 174.580 176.040 -1.460 25827 7050 1 17 . 1 1 54 54 SER CA C 54 59.726 59.726 60.670 -0.944 25827 7051 1 17 . 1 1 54 54 SER CB C 54 62.635 62.635 62.636 -0.001 25827 7052 1 17 . 1 1 54 54 SER H H 54 7.898 7.898 8.393 -0.495 25827 7053 1 17 . 1 1 55 55 VAL N N 55 121.919 121.919 119.509 2.410 25827 7054 1 17 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.950 0.173 25827 7055 1 17 . 1 1 55 55 VAL C C 55 174.607 174.607 176.731 -2.124 25827 7056 1 17 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.830 -0.109 25827 7057 1 17 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.461 2.107 25827 7058 1 17 . 1 1 55 55 VAL H H 55 8.163 8.163 7.565 0.598 25827 7059 1 17 . 1 1 56 56 VAL N N 56 121.380 121.380 112.303 9.077 25827 7060 1 17 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.467 0.104 25827 7061 1 17 . 1 1 56 56 VAL C C 56 170.477 170.477 173.585 -3.108 25827 7062 1 17 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.033 -0.200 25827 7063 1 17 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.785 0.635 25827 7064 1 17 . 1 1 56 56 VAL H H 56 8.254 8.254 8.052 0.202 25827 7065 1 17 . 1 1 57 57 CYS N N 57 121.201 121.201 122.115 -0.914 25827 7066 1 17 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.750 0.354 25827 7067 1 17 . 1 1 57 57 CYS C C 57 176.591 176.591 175.537 1.054 25827 7068 1 17 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.676 -2.051 25827 7069 1 17 . 1 1 57 57 CYS CB C 57 30.878 30.878 30.267 0.611 25827 7070 1 17 . 1 1 57 57 CYS H H 57 7.885 7.885 8.304 -0.419 25827 7071 1 17 . 1 1 58 58 LEU N N 58 125.028 125.028 129.056 -4.028 25827 7072 1 17 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.747 -0.119 25827 7073 1 17 . 1 1 58 58 LEU C C 58 179.335 179.335 178.042 1.293 25827 7074 1 17 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.775 -0.370 25827 7075 1 17 . 1 1 58 58 LEU CB C 58 41.308 41.308 42.344 -1.036 25827 7076 1 17 . 1 1 58 58 LEU H H 58 8.555 8.555 9.019 -0.464 25827 7077 1 17 . 1 1 59 59 GLN N N 59 120.812 120.812 116.899 3.913 25827 7078 1 17 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.951 0.018 25827 7079 1 17 . 1 1 59 59 GLN C C 59 178.629 178.629 178.538 0.091 25827 7080 1 17 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.078 0.675 25827 7081 1 17 . 1 1 59 59 GLN CB C 59 27.888 27.888 28.274 -0.386 25827 7082 1 17 . 1 1 59 59 GLN H H 59 9.081 9.081 8.004 1.077 25827 7083 1 17 . 1 1 60 60 GLN N N 60 120.513 120.513 118.971 1.542 25827 7084 1 17 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.101 0.060 25827 7085 1 17 . 1 1 60 60 GLN C C 60 179.002 179.002 178.376 0.626 25827 7086 1 17 . 1 1 60 60 GLN CA C 60 58.887 58.887 59.015 -0.128 25827 7087 1 17 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.604 0.145 25827 7088 1 17 . 1 1 60 60 GLN H H 60 7.793 7.793 7.650 0.143 25827 7089 1 17 . 1 1 61 61 VAL N N 61 119.886 119.886 120.406 -0.520 25827 7090 1 17 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.556 -0.262 25827 7091 1 17 . 1 1 61 61 VAL C C 61 177.564 177.564 177.885 -0.321 25827 7092 1 17 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.835 0.269 25827 7093 1 17 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.543 -0.310 25827 7094 1 17 . 1 1 61 61 VAL H H 61 7.359 7.359 7.533 -0.174 25827 7095 1 17 . 1 1 62 62 CYS N N 62 116.059 116.059 118.519 -2.460 25827 7096 1 17 . 1 1 62 62 CYS HA H 62 3.804 3.804 3.935 -0.131 25827 7097 1 17 . 1 1 62 62 CYS C C 62 177.630 177.630 176.482 1.148 25827 7098 1 17 . 1 1 62 62 CYS CA C 62 64.667 64.667 62.985 1.682 25827 7099 1 17 . 1 1 62 62 CYS CB C 62 26.513 26.513 27.549 -1.036 25827 7100 1 17 . 1 1 62 62 CYS H H 62 8.034 8.034 7.760 0.274 25827 7101 1 17 . 1 1 63 63 HIS N N 63 121.440 121.440 118.551 2.889 25827 7102 1 17 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.280 0.143 25827 7103 1 17 . 1 1 63 63 HIS C C 63 178.097 178.097 177.906 0.191 25827 7104 1 17 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.323 -0.983 25827 7105 1 17 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.614 0.767 25827 7106 1 17 . 1 1 63 63 HIS H H 63 8.430 8.430 7.988 0.442 25827 7107 1 17 . 1 1 64 64 GLN N N 64 118.839 118.839 118.489 0.350 25827 7108 1 17 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.278 -0.251 25827 7109 1 17 . 1 1 64 64 GLN C C 64 178.536 178.536 178.411 0.125 25827 7110 1 17 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.517 0.823 25827 7111 1 17 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.193 -0.083 25827 7112 1 17 . 1 1 64 64 GLN H H 64 8.102 8.102 8.473 -0.370 25827 7113 1 17 . 1 1 65 65 ILE N N 65 119.228 119.228 118.608 0.620 25827 7114 1 17 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.104 -0.419 25827 7115 1 17 . 1 1 65 65 ILE C C 65 178.656 178.656 177.386 1.270 25827 7116 1 17 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.031 3.021 25827 7117 1 17 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.251 0.114 25827 7118 1 17 . 1 1 65 65 ILE H H 65 7.858 7.858 7.510 0.348 25827 7119 1 17 . 1 1 66 66 GLY N N 66 109.453 109.453 107.711 1.742 25827 7120 1 17 . 1 1 66 66 GLY C C 66 178.643 178.643 176.056 2.587 25827 7121 1 17 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.382 -0.280 25827 7122 1 17 . 1 1 66 66 GLY H H 66 8.379 8.379 8.128 0.251 25827 7123 1 17 . 1 1 67 67 ASP N N 67 123.114 123.114 120.047 3.067 25827 7124 1 17 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.484 -0.020 25827 7125 1 17 . 1 1 67 67 ASP C C 67 177.497 177.497 177.292 0.205 25827 7126 1 17 . 1 1 67 67 ASP CA C 67 56.557 56.557 55.553 1.004 25827 7127 1 17 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.518 0.579 25827 7128 1 17 . 1 1 67 67 ASP H H 67 8.091 8.091 8.567 -0.476 25827 7129 1 17 . 1 1 68 68 MET N N 68 115.939 115.939 118.842 -2.903 25827 7130 1 17 . 1 1 68 68 MET HA H 68 4.297 4.297 4.401 -0.104 25827 7131 1 17 . 1 1 68 68 MET C C 68 175.739 175.739 177.198 -1.459 25827 7132 1 17 . 1 1 68 68 MET CA C 68 56.490 56.490 55.662 0.828 25827 7133 1 17 . 1 1 68 68 MET CB C 68 34.355 34.355 33.339 1.016 25827 7134 1 17 . 1 1 68 68 MET H H 68 7.576 7.576 7.467 0.109 25827 7135 1 17 . 1 1 69 69 GLY N N 69 104.775 104.775 105.916 -1.141 25827 7136 1 17 . 1 1 69 69 GLY C C 69 173.328 173.328 173.756 -0.428 25827 7137 1 17 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.412 0.373 25827 7138 1 17 . 1 1 69 69 GLY H H 69 7.880 7.880 7.681 0.199 25827 7139 1 17 . 1 1 70 70 PHE N N 70 118.809 118.809 120.227 -1.418 25827 7140 1 17 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.745 0.167 25827 7141 1 17 . 1 1 70 70 PHE C C 70 173.768 173.768 174.458 -0.690 25827 7142 1 17 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.879 -0.721 25827 7143 1 17 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.477 -0.841 25827 7144 1 17 . 1 1 70 70 PHE H H 70 6.905 6.905 7.396 -0.491 25827 7145 1 17 . 1 1 71 71 GLU N N 71 119.497 119.497 121.556 -2.059 25827 7146 1 17 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.533 0.048 25827 7147 1 17 . 1 1 71 71 GLU C C 71 174.993 174.993 174.869 0.124 25827 7148 1 17 . 1 1 71 71 GLU CA C 71 56.212 56.212 56.499 -0.287 25827 7149 1 17 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.062 0.313 25827 7150 1 17 . 1 1 71 71 GLU H H 71 8.081 8.081 8.492 -0.411 25827 7151 1 17 . 1 1 72 72 ALA N N 72 129.662 129.662 126.754 2.908 25827 7152 1 17 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.453 0.382 25827 7153 1 17 . 1 1 72 72 ALA C C 72 176.179 176.179 175.928 0.251 25827 7154 1 17 . 1 1 72 72 ALA CA C 72 49.992 49.992 51.063 -1.071 25827 7155 1 17 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.454 0.510 25827 7156 1 17 . 1 1 72 72 ALA H H 72 8.925 8.925 8.449 0.476 25827 7157 1 17 . 1 1 73 73 SER N N 73 114.042 114.042 115.154 -1.112 25827 7158 1 17 . 1 1 73 73 SER HA H 73 4.716 4.716 4.854 -0.138 25827 7159 1 17 . 1 1 73 73 SER C C 73 172.675 172.675 173.778 -1.103 25827 7160 1 17 . 1 1 73 73 SER CA C 73 57.156 57.156 56.759 0.397 25827 7161 1 17 . 1 1 73 73 SER CB C 73 65.581 65.581 66.434 -0.853 25827 7162 1 17 . 1 1 73 73 SER H H 73 8.794 8.794 8.477 0.317 25827 7163 1 17 . 1 1 74 74 ILE N N 74 122.487 122.487 122.176 0.311 25827 7164 1 17 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.129 -0.153 25827 7165 1 17 . 1 1 74 74 ILE C C 74 176.045 176.045 175.650 0.395 25827 7166 1 17 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.461 1.115 25827 7167 1 17 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.186 0.285 25827 7168 1 17 . 1 1 74 74 ILE H H 74 8.813 8.813 8.542 0.271 25827 7169 1 17 . 1 1 75 75 ALA N N 75 131.516 131.516 131.536 -0.020 25827 7170 1 17 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.830 -0.366 25827 7171 1 17 . 1 1 75 75 ALA C C 75 176.045 176.045 175.346 0.699 25827 7172 1 17 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.705 1.524 25827 7173 1 17 . 1 1 75 75 ALA CB C 75 19.842 19.842 21.990 -2.148 25827 7174 1 17 . 1 1 75 75 ALA H H 75 8.400 8.400 8.523 -0.123 25827 7175 1 18 . 1 1 2 2 GLY N N 2 109.659 109.659 107.596 2.063 25827 7176 1 18 . 1 1 2 2 GLY C C 2 174.061 174.061 174.422 -0.361 25827 7177 1 18 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.102 0.549 25827 7178 1 18 . 1 1 2 2 GLY H H 2 8.539 8.539 8.481 0.058 25827 7179 1 18 . 1 1 3 3 HIS N N 3 120.603 120.603 119.727 0.876 25827 7180 1 18 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.768 -0.359 25827 7181 1 18 . 1 1 3 3 HIS C C 3 176.072 176.072 174.887 1.185 25827 7182 1 18 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.689 0.322 25827 7183 1 18 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.661 2.701 25827 7184 1 18 . 1 1 3 3 HIS H H 3 8.030 8.030 8.173 -0.143 25827 7185 1 18 . 1 1 4 4 MET N N 4 124.310 124.310 120.892 3.418 25827 7186 1 18 . 1 1 4 4 MET C C 4 176.179 176.179 176.894 -0.715 25827 7187 1 18 . 1 1 4 4 MET CA C 4 61.071 61.071 54.138 6.933 25827 7188 1 18 . 1 1 4 4 MET CB C 4 38.720 38.720 33.680 5.040 25827 7189 1 18 . 1 1 4 4 MET H H 4 8.410 8.410 8.486 -0.076 25827 7190 1 18 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.122 0.174 25827 7191 1 18 . 1 1 5 5 GLN C C 5 174.687 174.687 175.197 -0.510 25827 7192 1 18 . 1 1 5 5 GLN CA C 5 56.218 56.218 57.555 -1.337 25827 7193 1 18 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.139 0.422 25827 7194 1 18 . 1 1 6 6 VAL N N 6 120.095 120.095 112.254 7.841 25827 7195 1 18 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.548 -0.201 25827 7196 1 18 . 1 1 6 6 VAL C C 6 174.807 174.807 174.326 0.481 25827 7197 1 18 . 1 1 6 6 VAL CA C 6 61.418 61.418 59.837 1.581 25827 7198 1 18 . 1 1 6 6 VAL CB C 6 34.320 34.320 34.285 0.035 25827 7199 1 18 . 1 1 6 6 VAL H H 6 7.942 7.942 7.290 0.652 25827 7200 1 18 . 1 1 7 7 ALA N N 7 130.230 130.230 124.233 5.997 25827 7201 1 18 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.863 -0.228 25827 7202 1 18 . 1 1 7 7 ALA C C 7 174.913 174.913 174.936 -0.023 25827 7203 1 18 . 1 1 7 7 ALA CA C 7 50.684 50.684 51.620 -0.936 25827 7204 1 18 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.697 -0.060 25827 7205 1 18 . 1 1 7 7 ALA H H 7 8.952 8.952 8.396 0.556 25827 7206 1 18 . 1 1 8 8 THR N N 8 114.219 114.219 111.783 2.436 25827 7207 1 18 . 1 1 8 8 THR HA H 8 5.594 5.594 5.492 0.102 25827 7208 1 18 . 1 1 8 8 THR C C 8 174.846 174.846 173.729 1.117 25827 7209 1 18 . 1 1 8 8 THR CA C 8 61.524 61.524 59.631 1.893 25827 7210 1 18 . 1 1 8 8 THR CB C 8 71.228 71.228 71.755 -0.527 25827 7211 1 18 . 1 1 8 8 THR H H 8 8.211 8.211 8.083 0.128 25827 7212 1 18 . 1 1 9 9 SER N N 9 121.231 121.231 116.694 4.537 25827 7213 1 18 . 1 1 9 9 SER HA H 9 5.049 5.049 4.955 0.094 25827 7214 1 18 . 1 1 9 9 SER C C 9 172.023 172.023 172.579 -0.556 25827 7215 1 18 . 1 1 9 9 SER CA C 9 57.822 57.822 57.806 0.016 25827 7216 1 18 . 1 1 9 9 SER CB C 9 67.178 67.178 65.342 1.836 25827 7217 1 18 . 1 1 9 9 SER H H 9 9.329 9.329 8.502 0.827 25827 7218 1 18 . 1 1 10 10 THR N N 10 119.646 119.646 115.718 3.928 25827 7219 1 18 . 1 1 10 10 THR HA H 10 5.423 5.423 5.484 -0.061 25827 7220 1 18 . 1 1 10 10 THR C C 10 173.754 173.754 172.920 0.834 25827 7221 1 18 . 1 1 10 10 THR CA C 10 61.591 61.591 60.072 1.518 25827 7222 1 18 . 1 1 10 10 THR CB C 10 70.230 70.230 71.703 -1.473 25827 7223 1 18 . 1 1 10 10 THR H H 10 8.790 8.790 9.108 -0.318 25827 7224 1 18 . 1 1 11 11 VAL N N 11 122.726 122.726 123.159 -0.433 25827 7225 1 18 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.287 -0.599 25827 7226 1 18 . 1 1 11 11 VAL C C 11 174.940 174.940 173.545 1.395 25827 7227 1 18 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.672 -0.185 25827 7228 1 18 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.540 -0.333 25827 7229 1 18 . 1 1 11 11 VAL H H 11 8.973 8.973 9.231 -0.258 25827 7230 1 18 . 1 1 12 12 ARG N N 12 127.240 127.240 127.617 -0.377 25827 7231 1 18 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.921 -0.370 25827 7232 1 18 . 1 1 12 12 ARG C C 12 175.632 175.632 175.100 0.532 25827 7233 1 18 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.568 1.163 25827 7234 1 18 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.893 -0.873 25827 7235 1 18 . 1 1 12 12 ARG H H 12 9.274 9.274 8.986 0.288 25827 7236 1 18 . 1 1 13 13 ILE N N 13 123.234 123.234 121.805 1.429 25827 7237 1 18 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.365 0.376 25827 7238 1 18 . 1 1 13 13 ILE C C 13 174.540 174.540 175.121 -0.581 25827 7239 1 18 . 1 1 13 13 ILE CA C 13 60.978 60.978 60.745 0.233 25827 7240 1 18 . 1 1 13 13 ILE CB C 13 41.487 41.487 39.201 2.286 25827 7241 1 18 . 1 1 13 13 ILE H H 13 8.210 8.210 7.944 0.266 25827 7242 1 18 . 1 1 14 14 LEU N N 14 128.287 128.287 131.131 -2.844 25827 7243 1 18 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.877 -0.112 25827 7244 1 18 . 1 1 14 14 LEU C C 14 177.391 177.391 174.745 2.646 25827 7245 1 18 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.538 0.569 25827 7246 1 18 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.351 -0.735 25827 7247 1 18 . 1 1 14 14 LEU H H 14 9.146 9.146 9.113 0.033 25827 7248 1 18 . 1 1 15 15 GLY N N 15 107.835 107.835 110.557 -2.722 25827 7249 1 18 . 1 1 15 15 GLY C C 15 175.726 175.726 173.423 2.303 25827 7250 1 18 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.411 -0.067 25827 7251 1 18 . 1 1 15 15 GLY H H 15 8.515 8.515 7.870 0.645 25827 7252 1 18 . 1 1 16 16 MET N N 16 120.244 120.244 119.145 1.099 25827 7253 1 18 . 1 1 16 16 MET HA H 16 4.699 4.699 4.464 0.235 25827 7254 1 18 . 1 1 16 16 MET C C 16 177.404 177.404 176.634 0.770 25827 7255 1 18 . 1 1 16 16 MET CA C 16 57.116 57.116 57.337 -0.221 25827 7256 1 18 . 1 1 16 16 MET CB C 16 34.852 34.852 33.089 1.763 25827 7257 1 18 . 1 1 16 16 MET H H 16 8.925 8.925 8.720 0.205 25827 7258 1 18 . 1 1 17 17 THR C C 17 174.700 174.700 175.183 -0.483 25827 7259 1 18 . 1 1 17 17 THR CA C 17 62.736 62.736 60.279 2.457 25827 7260 1 18 . 1 1 17 17 THR CB C 17 64.427 64.427 69.561 -5.135 25827 7261 1 18 . 1 1 18 18 CYS N N 18 120.513 120.513 125.080 -4.567 25827 7262 1 18 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.177 0.246 25827 7263 1 18 . 1 1 18 18 CYS C C 18 177.431 177.431 176.379 1.052 25827 7264 1 18 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.009 -5.502 25827 7265 1 18 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.436 14.828 25827 7266 1 18 . 1 1 18 18 CYS H H 18 8.691 8.691 8.989 -0.298 25827 7267 1 18 . 1 1 19 19 GLN N N 19 121.231 121.231 122.006 -0.775 25827 7268 1 18 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.981 0.357 25827 7269 1 18 . 1 1 19 19 GLN C C 19 175.832 175.832 177.321 -1.489 25827 7270 1 18 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.010 -2.427 25827 7271 1 18 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.643 3.035 25827 7272 1 18 . 1 1 19 19 GLN H H 19 8.342 8.342 8.251 0.091 25827 7273 1 18 . 1 1 20 20 SER N N 20 116.089 116.089 114.602 1.487 25827 7274 1 18 . 1 1 20 20 SER HA H 20 4.381 4.381 4.170 0.211 25827 7275 1 18 . 1 1 20 20 SER C C 20 177.004 177.004 176.192 0.812 25827 7276 1 18 . 1 1 20 20 SER H H 20 7.953 7.953 8.445 -0.492 25827 7277 1 18 . 1 1 21 21 CYS N N 21 125.147 125.147 119.034 6.113 25827 7278 1 18 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.823 0.259 25827 7279 1 18 . 1 1 21 21 CYS C C 21 177.004 177.004 176.377 0.627 25827 7280 1 18 . 1 1 21 21 CYS CA C 21 63.162 63.162 61.028 2.134 25827 7281 1 18 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.082 3.772 25827 7282 1 18 . 1 1 21 21 CYS H H 21 7.854 7.854 7.218 0.636 25827 7283 1 18 . 1 1 22 22 VAL N N 22 118.062 118.062 122.394 -4.332 25827 7284 1 18 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.560 0.792 25827 7285 1 18 . 1 1 22 22 VAL C C 22 177.178 177.178 178.237 -1.059 25827 7286 1 18 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.612 -0.067 25827 7287 1 18 . 1 1 22 22 VAL CB C 22 31.730 31.730 30.915 0.815 25827 7288 1 18 . 1 1 22 22 VAL H H 22 6.834 6.834 7.743 -0.909 25827 7289 1 18 . 1 1 23 23 LYS N N 23 117.823 117.823 120.421 -2.598 25827 7290 1 18 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.867 0.215 25827 7291 1 18 . 1 1 23 23 LYS C C 23 178.456 178.456 178.930 -0.474 25827 7292 1 18 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.360 -1.566 25827 7293 1 18 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.331 0.108 25827 7294 1 18 . 1 1 23 23 LYS H H 23 7.936 7.936 8.495 -0.559 25827 7295 1 18 . 1 1 24 24 SER N N 24 113.895 113.895 115.200 -1.305 25827 7296 1 18 . 1 1 24 24 SER HA H 24 4.068 4.068 4.193 -0.125 25827 7297 1 18 . 1 1 24 24 SER C C 24 177.364 177.364 176.840 0.524 25827 7298 1 18 . 1 1 24 24 SER CA C 24 62.017 62.017 62.436 -0.419 25827 7299 1 18 . 1 1 24 24 SER CB C 24 62.600 62.600 63.235 -0.635 25827 7300 1 18 . 1 1 24 24 SER H H 24 8.062 8.062 8.007 0.055 25827 7301 1 18 . 1 1 25 25 ILE N N 25 122.845 122.845 118.271 4.574 25827 7302 1 18 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.909 -0.367 25827 7303 1 18 . 1 1 25 25 ILE C C 25 177.537 177.537 177.125 0.412 25827 7304 1 18 . 1 1 25 25 ILE CA C 25 66.012 66.012 64.327 1.685 25827 7305 1 18 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.621 1.170 25827 7306 1 18 . 1 1 25 25 ILE H H 25 7.888 7.888 8.084 -0.196 25827 7307 1 18 . 1 1 26 26 GLU N N 26 118.630 118.630 122.635 -4.005 25827 7308 1 18 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.834 -0.206 25827 7309 1 18 . 1 1 26 26 GLU C C 26 180.041 180.041 178.282 1.759 25827 7310 1 18 . 1 1 26 26 GLU CA C 26 61.178 61.178 60.161 1.017 25827 7311 1 18 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.393 0.208 25827 7312 1 18 . 1 1 26 26 GLU H H 26 8.519 8.519 8.313 0.206 25827 7313 1 18 . 1 1 27 27 ASP N N 27 119.676 119.676 119.716 -0.040 25827 7314 1 18 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.401 -0.063 25827 7315 1 18 . 1 1 27 27 ASP C C 27 178.070 178.070 179.280 -1.210 25827 7316 1 18 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.242 0.287 25827 7317 1 18 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.875 -0.452 25827 7318 1 18 . 1 1 27 27 ASP H H 27 8.973 8.973 7.966 1.007 25827 7319 1 18 . 1 1 28 28 ARG N N 28 118.092 118.092 119.578 -1.486 25827 7320 1 18 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.091 0.090 25827 7321 1 18 . 1 1 28 28 ARG C C 28 179.296 179.296 178.988 0.308 25827 7322 1 18 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.343 0.252 25827 7323 1 18 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.820 0.489 25827 7324 1 18 . 1 1 28 28 ARG H H 28 7.630 7.630 7.451 0.179 25827 7325 1 18 . 1 1 29 29 ILE N N 29 116.597 116.597 119.964 -3.367 25827 7326 1 18 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.747 0.200 25827 7327 1 18 . 1 1 29 29 ILE C C 29 177.777 177.777 178.736 -0.959 25827 7328 1 18 . 1 1 29 29 ILE CA C 29 60.685 60.685 65.191 -4.505 25827 7329 1 18 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.775 -2.497 25827 7330 1 18 . 1 1 29 29 ILE H H 29 8.427 8.427 8.510 -0.083 25827 7331 1 18 . 1 1 30 30 SER N N 30 113.160 113.160 115.865 -2.705 25827 7332 1 18 . 1 1 30 30 SER HA H 30 4.049 4.049 4.233 -0.184 25827 7333 1 18 . 1 1 30 30 SER C C 30 173.941 173.941 175.624 -1.683 25827 7334 1 18 . 1 1 30 30 SER CA C 30 62.110 62.110 61.151 0.959 25827 7335 1 18 . 1 1 30 30 SER CB C 30 62.884 62.884 62.748 0.136 25827 7336 1 18 . 1 1 30 30 SER H H 30 8.236 8.236 8.631 -0.395 25827 7337 1 18 . 1 1 31 31 ASN N N 31 115.520 115.520 118.026 -2.506 25827 7338 1 18 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.840 -0.066 25827 7339 1 18 . 1 1 31 31 ASN C C 31 175.046 175.046 174.636 0.410 25827 7340 1 18 . 1 1 31 31 ASN CA C 31 53.547 53.547 53.306 0.241 25827 7341 1 18 . 1 1 31 31 ASN CB C 31 39.997 39.997 39.468 0.529 25827 7342 1 18 . 1 1 31 31 ASN H H 31 6.919 6.919 7.784 -0.865 25827 7343 1 18 . 1 1 32 32 LEU N N 32 122.666 122.666 122.171 0.495 25827 7344 1 18 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.541 -0.205 25827 7345 1 18 . 1 1 32 32 LEU C C 32 177.071 177.071 175.504 1.567 25827 7346 1 18 . 1 1 32 32 LEU CA C 32 54.839 54.839 53.962 0.877 25827 7347 1 18 . 1 1 32 32 LEU CB C 32 41.807 41.807 43.529 -1.722 25827 7348 1 18 . 1 1 32 32 LEU H H 32 7.620 7.620 7.505 0.115 25827 7349 1 18 . 1 1 33 33 LYS N N 33 125.955 125.955 126.070 -0.115 25827 7350 1 18 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.421 -0.367 25827 7351 1 18 . 1 1 33 33 LYS C C 33 176.698 176.698 177.022 -0.324 25827 7352 1 18 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.420 1.562 25827 7353 1 18 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.889 -0.947 25827 7354 1 18 . 1 1 33 33 LYS H H 33 8.451 8.451 8.646 -0.195 25827 7355 1 18 . 1 1 34 34 GLY N N 34 110.541 110.541 108.104 2.437 25827 7356 1 18 . 1 1 34 34 GLY C C 34 173.381 173.381 173.985 -0.604 25827 7357 1 18 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.736 0.808 25827 7358 1 18 . 1 1 34 34 GLY H H 34 8.616 8.616 8.682 -0.066 25827 7359 1 18 . 1 1 35 35 ILE N N 35 119.258 119.258 120.788 -1.530 25827 7360 1 18 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.128 0.144 25827 7361 1 18 . 1 1 35 35 ILE C C 35 176.352 176.352 175.854 0.498 25827 7362 1 18 . 1 1 35 35 ILE CA C 35 58.608 58.608 62.417 -3.809 25827 7363 1 18 . 1 1 35 35 ILE CB C 35 35.029 35.029 37.657 -2.627 25827 7364 1 18 . 1 1 35 35 ILE H H 35 7.580 7.580 8.001 -0.421 25827 7365 1 18 . 1 1 36 36 ILE N N 36 130.708 130.708 129.036 1.672 25827 7366 1 18 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.172 -0.091 25827 7367 1 18 . 1 1 36 36 ILE C C 36 176.298 176.298 175.946 0.352 25827 7368 1 18 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.189 -0.398 25827 7369 1 18 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.151 -0.999 25827 7370 1 18 . 1 1 36 36 ILE H H 36 9.244 9.244 8.201 1.043 25827 7371 1 18 . 1 1 37 37 SER N N 37 111.336 111.336 111.901 -0.565 25827 7372 1 18 . 1 1 37 37 SER HA H 37 4.613 4.613 4.500 0.113 25827 7373 1 18 . 1 1 37 37 SER C C 37 171.809 171.809 171.938 -0.129 25827 7374 1 18 . 1 1 37 37 SER CA C 37 57.636 57.636 58.132 -0.496 25827 7375 1 18 . 1 1 37 37 SER CB C 37 64.729 64.729 64.779 -0.051 25827 7376 1 18 . 1 1 37 37 SER H H 37 8.002 8.002 7.678 0.324 25827 7377 1 18 . 1 1 38 38 MET N N 38 123.742 123.742 124.204 -0.462 25827 7378 1 18 . 1 1 38 38 MET HA H 38 5.006 5.006 4.894 0.112 25827 7379 1 18 . 1 1 38 38 MET C C 38 172.755 172.755 174.471 -1.716 25827 7380 1 18 . 1 1 38 38 MET CA C 38 54.719 54.719 54.710 0.009 25827 7381 1 18 . 1 1 38 38 MET CB C 38 35.562 35.562 35.934 -0.373 25827 7382 1 18 . 1 1 38 38 MET H H 38 8.651 8.651 8.333 0.318 25827 7383 1 18 . 1 1 39 39 LYS N N 39 126.343 126.343 126.640 -0.297 25827 7384 1 18 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.741 0.213 25827 7385 1 18 . 1 1 39 39 LYS C C 39 175.872 175.872 174.602 1.270 25827 7386 1 18 . 1 1 39 39 LYS CA C 39 53.907 53.907 53.895 0.012 25827 7387 1 18 . 1 1 39 39 LYS CB C 39 34.604 34.604 34.405 0.199 25827 7388 1 18 . 1 1 39 39 LYS H H 39 8.173 8.173 8.373 -0.200 25827 7389 1 18 . 1 1 40 40 VAL N N 40 131.217 131.217 124.649 6.568 25827 7390 1 18 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.273 -0.006 25827 7391 1 18 . 1 1 40 40 VAL C C 40 174.327 174.327 175.248 -0.921 25827 7392 1 18 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.556 0.343 25827 7393 1 18 . 1 1 40 40 VAL CB C 40 32.617 32.617 32.607 0.010 25827 7394 1 18 . 1 1 40 40 VAL H H 40 10.339 10.339 8.640 1.699 25827 7395 1 18 . 1 1 41 41 SER N N 41 121.440 121.440 125.148 -3.708 25827 7396 1 18 . 1 1 41 41 SER HA H 41 4.878 4.878 4.679 0.199 25827 7397 1 18 . 1 1 41 41 SER C C 41 175.179 175.179 174.459 0.720 25827 7398 1 18 . 1 1 41 41 SER CA C 41 55.359 55.359 57.205 -1.846 25827 7399 1 18 . 1 1 41 41 SER CB C 41 63.381 63.381 62.843 0.538 25827 7400 1 18 . 1 1 41 41 SER H H 41 9.122 9.122 8.247 0.875 25827 7401 1 18 . 1 1 42 42 LEU N N 42 131.575 131.575 126.533 5.042 25827 7402 1 18 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.014 0.791 25827 7403 1 18 . 1 1 42 42 LEU C C 42 179.189 179.189 177.638 1.551 25827 7404 1 18 . 1 1 42 42 LEU CA C 42 58.262 58.262 58.079 0.183 25827 7405 1 18 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.206 -0.293 25827 7406 1 18 . 1 1 42 42 LEU H H 42 9.139 9.139 8.388 0.751 25827 7407 1 18 . 1 1 43 43 GLU N N 43 117.524 117.524 118.255 -0.731 25827 7408 1 18 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.022 0.783 25827 7409 1 18 . 1 1 43 43 GLU C C 43 178.456 178.456 178.164 0.292 25827 7410 1 18 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.688 1.238 25827 7411 1 18 . 1 1 43 43 GLU CB C 43 29.317 29.317 28.289 1.028 25827 7412 1 18 . 1 1 43 43 GLU H H 43 9.041 9.041 8.429 0.612 25827 7413 1 18 . 1 1 44 44 GLN N N 44 113.278 113.278 118.217 -4.939 25827 7414 1 18 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.267 0.069 25827 7415 1 18 . 1 1 44 44 GLN C C 44 176.765 176.765 176.952 -0.187 25827 7416 1 18 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.222 -0.677 25827 7417 1 18 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.516 0.085 25827 7418 1 18 . 1 1 44 44 GLN H H 44 7.651 7.651 7.943 -0.292 25827 7419 1 18 . 1 1 45 45 GLY N N 45 110.453 110.453 107.704 2.749 25827 7420 1 18 . 1 1 45 45 GLY C C 45 174.487 174.487 173.295 1.192 25827 7421 1 18 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.218 2.124 25827 7422 1 18 . 1 1 45 45 GLY H H 45 7.884 7.884 8.142 -0.258 25827 7423 1 18 . 1 1 46 46 SER N N 46 111.130 111.130 114.500 -3.370 25827 7424 1 18 . 1 1 46 46 SER HA H 46 5.412 5.412 5.185 0.227 25827 7425 1 18 . 1 1 46 46 SER C C 46 171.503 171.503 172.225 -0.722 25827 7426 1 18 . 1 1 46 46 SER CA C 46 56.544 56.544 56.852 -0.308 25827 7427 1 18 . 1 1 46 46 SER CB C 46 66.327 66.327 65.226 1.101 25827 7428 1 18 . 1 1 46 46 SER H H 46 7.807 7.807 7.493 0.314 25827 7429 1 18 . 1 1 47 47 ALA N N 47 120.663 120.663 125.255 -4.592 25827 7430 1 18 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.081 0.214 25827 7431 1 18 . 1 1 47 47 ALA C C 47 175.806 175.806 175.956 -0.150 25827 7432 1 18 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.146 0.206 25827 7433 1 18 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.811 2.140 25827 7434 1 18 . 1 1 47 47 ALA H H 47 9.349 9.349 9.139 0.210 25827 7435 1 18 . 1 1 48 48 THR N N 48 117.344 117.344 115.533 1.811 25827 7436 1 18 . 1 1 48 48 THR HA H 48 4.880 4.880 5.087 -0.207 25827 7437 1 18 . 1 1 48 48 THR C C 48 173.847 173.847 174.097 -0.250 25827 7438 1 18 . 1 1 48 48 THR CA C 48 62.163 62.163 60.801 1.362 25827 7439 1 18 . 1 1 48 48 THR CB C 48 69.698 69.698 69.551 0.147 25827 7440 1 18 . 1 1 48 48 THR H H 48 8.634 8.634 8.883 -0.249 25827 7441 1 18 . 1 1 49 49 VAL N N 49 129.782 129.782 124.350 5.432 25827 7442 1 18 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.470 0.388 25827 7443 1 18 . 1 1 49 49 VAL C C 49 173.208 173.208 173.580 -0.372 25827 7444 1 18 . 1 1 49 49 VAL CA C 49 59.860 59.860 60.608 -0.748 25827 7445 1 18 . 1 1 49 49 VAL CB C 49 34.852 34.852 33.523 1.329 25827 7446 1 18 . 1 1 49 49 VAL H H 49 9.400 9.400 9.026 0.374 25827 7447 1 18 . 1 1 50 50 LYS N N 50 128.107 128.107 130.014 -1.907 25827 7448 1 18 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.155 0.769 25827 7449 1 18 . 1 1 50 50 LYS C C 50 176.671 176.671 174.357 2.314 25827 7450 1 18 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.135 -0.083 25827 7451 1 18 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.708 -0.353 25827 7452 1 18 . 1 1 50 50 LYS H H 50 8.997 8.997 7.961 1.036 25827 7453 1 18 . 1 1 51 51 TYR N N 51 124.310 124.310 123.058 1.252 25827 7454 1 18 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.807 0.744 25827 7455 1 18 . 1 1 51 51 TYR C C 51 171.343 171.343 174.854 -3.511 25827 7456 1 18 . 1 1 51 51 TYR CA C 51 55.492 55.492 57.023 -1.530 25827 7457 1 18 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.325 -1.873 25827 7458 1 18 . 1 1 51 51 TYR H H 51 9.478 9.478 7.945 1.533 25827 7459 1 18 . 1 1 52 52 VAL N N 52 122.068 122.068 121.598 0.470 25827 7460 1 18 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.364 0.356 25827 7461 1 18 . 1 1 52 52 VAL C C 52 176.045 176.045 175.630 0.415 25827 7462 1 18 . 1 1 52 52 VAL CA C 52 59.580 59.580 60.937 -1.357 25827 7463 1 18 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.520 1.168 25827 7464 1 18 . 1 1 52 52 VAL H H 52 8.702 8.702 8.328 0.374 25827 7465 1 18 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.833 -0.466 25827 7466 1 18 . 1 1 53 53 PRO C C 53 177.111 177.111 177.756 -0.645 25827 7467 1 18 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.880 -0.539 25827 7468 1 18 . 1 1 53 53 PRO CB C 53 31.940 31.940 31.892 0.048 25827 7469 1 18 . 1 1 54 54 SER N N 54 109.924 109.924 114.422 -4.498 25827 7470 1 18 . 1 1 54 54 SER HA H 54 4.345 4.345 4.292 0.053 25827 7471 1 18 . 1 1 54 54 SER C C 54 174.580 174.580 175.718 -1.138 25827 7472 1 18 . 1 1 54 54 SER CA C 54 59.726 59.726 61.087 -1.361 25827 7473 1 18 . 1 1 54 54 SER CB C 54 62.635 62.635 63.338 -0.703 25827 7474 1 18 . 1 1 54 54 SER H H 54 7.898 7.898 8.595 -0.697 25827 7475 1 18 . 1 1 55 55 VAL N N 55 121.919 121.919 113.470 8.449 25827 7476 1 18 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.397 -0.274 25827 7477 1 18 . 1 1 55 55 VAL C C 55 174.607 174.607 175.777 -1.170 25827 7478 1 18 . 1 1 55 55 VAL CA C 55 63.721 63.721 62.515 1.206 25827 7479 1 18 . 1 1 55 55 VAL CB C 55 34.568 34.568 33.645 0.923 25827 7480 1 18 . 1 1 55 55 VAL H H 55 8.163 8.163 7.575 0.588 25827 7481 1 18 . 1 1 56 56 VAL N N 56 121.380 121.380 121.621 -0.241 25827 7482 1 18 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.563 0.008 25827 7483 1 18 . 1 1 56 56 VAL C C 56 170.477 170.477 175.139 -4.662 25827 7484 1 18 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.908 -1.075 25827 7485 1 18 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.392 1.028 25827 7486 1 18 . 1 1 56 56 VAL H H 56 8.254 8.254 8.395 -0.141 25827 7487 1 18 . 1 1 57 57 CYS N N 57 121.201 121.201 124.636 -3.435 25827 7488 1 18 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.834 0.270 25827 7489 1 18 . 1 1 57 57 CYS C C 57 176.591 176.591 175.639 0.952 25827 7490 1 18 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.316 -0.691 25827 7491 1 18 . 1 1 57 57 CYS CB C 57 30.878 30.878 29.855 1.023 25827 7492 1 18 . 1 1 57 57 CYS H H 57 7.885 7.885 8.492 -0.607 25827 7493 1 18 . 1 1 58 58 LEU N N 58 125.028 125.028 122.894 2.134 25827 7494 1 18 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.895 -0.267 25827 7495 1 18 . 1 1 58 58 LEU C C 58 179.335 179.335 178.965 0.370 25827 7496 1 18 . 1 1 58 58 LEU CA C 58 57.405 57.405 58.189 -0.784 25827 7497 1 18 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.482 -0.174 25827 7498 1 18 . 1 1 58 58 LEU H H 58 8.555 8.555 8.686 -0.131 25827 7499 1 18 . 1 1 59 59 GLN N N 59 120.812 120.812 116.929 3.883 25827 7500 1 18 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.842 0.127 25827 7501 1 18 . 1 1 59 59 GLN C C 59 178.629 178.629 178.152 0.477 25827 7502 1 18 . 1 1 59 59 GLN CA C 59 59.753 59.753 58.637 1.116 25827 7503 1 18 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.638 0.250 25827 7504 1 18 . 1 1 59 59 GLN H H 59 9.081 9.081 8.565 0.516 25827 7505 1 18 . 1 1 60 60 GLN N N 60 120.513 120.513 119.755 0.758 25827 7506 1 18 . 1 1 60 60 GLN HA H 60 4.161 4.161 3.848 0.313 25827 7507 1 18 . 1 1 60 60 GLN C C 60 179.002 179.002 178.316 0.686 25827 7508 1 18 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.664 0.223 25827 7509 1 18 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.361 0.388 25827 7510 1 18 . 1 1 60 60 GLN H H 60 7.793 7.793 7.355 0.438 25827 7511 1 18 . 1 1 61 61 VAL N N 61 119.886 119.886 119.727 0.159 25827 7512 1 18 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.943 -0.649 25827 7513 1 18 . 1 1 61 61 VAL C C 61 177.564 177.564 178.463 -0.899 25827 7514 1 18 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.162 0.942 25827 7515 1 18 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.280 -0.047 25827 7516 1 18 . 1 1 61 61 VAL H H 61 7.359 7.359 7.616 -0.257 25827 7517 1 18 . 1 1 62 62 CYS N N 62 116.059 116.059 118.878 -2.819 25827 7518 1 18 . 1 1 62 62 CYS HA H 62 3.804 3.804 3.987 -0.183 25827 7519 1 18 . 1 1 62 62 CYS C C 62 177.630 177.630 176.734 0.896 25827 7520 1 18 . 1 1 62 62 CYS CA C 62 64.667 64.667 62.690 1.977 25827 7521 1 18 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.370 0.143 25827 7522 1 18 . 1 1 62 62 CYS H H 62 8.034 8.034 7.715 0.319 25827 7523 1 18 . 1 1 63 63 HIS N N 63 121.440 121.440 118.133 3.307 25827 7524 1 18 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.121 0.302 25827 7525 1 18 . 1 1 63 63 HIS C C 63 178.097 178.097 177.454 0.643 25827 7526 1 18 . 1 1 63 63 HIS CA C 63 59.340 59.340 59.178 0.162 25827 7527 1 18 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.602 0.778 25827 7528 1 18 . 1 1 63 63 HIS H H 63 8.430 8.430 7.847 0.583 25827 7529 1 18 . 1 1 64 64 GLN N N 64 118.839 118.839 118.609 0.230 25827 7530 1 18 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.352 -0.325 25827 7531 1 18 . 1 1 64 64 GLN C C 64 178.536 178.536 178.502 0.034 25827 7532 1 18 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.873 0.466 25827 7533 1 18 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.285 -0.175 25827 7534 1 18 . 1 1 64 64 GLN H H 64 8.102 8.102 7.787 0.315 25827 7535 1 18 . 1 1 65 65 ILE N N 65 119.228 119.228 120.215 -0.987 25827 7536 1 18 . 1 1 65 65 ILE HA H 65 3.685 3.685 3.858 -0.173 25827 7537 1 18 . 1 1 65 65 ILE C C 65 178.656 178.656 177.371 1.285 25827 7538 1 18 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.726 2.326 25827 7539 1 18 . 1 1 65 65 ILE CB C 65 38.365 38.365 37.982 0.383 25827 7540 1 18 . 1 1 65 65 ILE H H 65 7.858 7.858 7.394 0.464 25827 7541 1 18 . 1 1 66 66 GLY N N 66 109.453 109.453 106.972 2.481 25827 7542 1 18 . 1 1 66 66 GLY C C 66 178.643 178.643 176.110 2.533 25827 7543 1 18 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.429 -0.327 25827 7544 1 18 . 1 1 66 66 GLY H H 66 8.379 8.379 8.385 -0.006 25827 7545 1 18 . 1 1 67 67 ASP N N 67 123.114 123.114 119.727 3.387 25827 7546 1 18 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.590 -0.126 25827 7547 1 18 . 1 1 67 67 ASP C C 67 177.497 177.497 177.430 0.067 25827 7548 1 18 . 1 1 67 67 ASP CA C 67 56.557 56.557 55.453 1.103 25827 7549 1 18 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.438 0.659 25827 7550 1 18 . 1 1 67 67 ASP H H 67 8.091 8.091 8.296 -0.205 25827 7551 1 18 . 1 1 68 68 MET N N 68 115.939 115.939 118.518 -2.579 25827 7552 1 18 . 1 1 68 68 MET HA H 68 4.297 4.297 4.553 -0.256 25827 7553 1 18 . 1 1 68 68 MET C C 68 175.739 175.739 177.194 -1.455 25827 7554 1 18 . 1 1 68 68 MET CA C 68 56.490 56.490 54.727 1.763 25827 7555 1 18 . 1 1 68 68 MET CB C 68 34.355 34.355 32.258 2.097 25827 7556 1 18 . 1 1 68 68 MET H H 68 7.576 7.576 7.591 -0.015 25827 7557 1 18 . 1 1 69 69 GLY N N 69 104.775 104.775 107.909 -3.134 25827 7558 1 18 . 1 1 69 69 GLY C C 69 173.328 173.328 173.833 -0.505 25827 7559 1 18 . 1 1 69 69 GLY CA C 69 44.785 44.785 45.113 -0.328 25827 7560 1 18 . 1 1 69 69 GLY H H 69 7.880 7.880 7.655 0.225 25827 7561 1 18 . 1 1 70 70 PHE N N 70 118.809 118.809 120.133 -1.324 25827 7562 1 18 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.735 0.177 25827 7563 1 18 . 1 1 70 70 PHE C C 70 173.768 173.768 174.235 -0.467 25827 7564 1 18 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.247 -1.089 25827 7565 1 18 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.342 -0.706 25827 7566 1 18 . 1 1 70 70 PHE H H 70 6.905 6.905 7.420 -0.515 25827 7567 1 18 . 1 1 71 71 GLU N N 71 119.497 119.497 120.896 -1.399 25827 7568 1 18 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.727 -0.146 25827 7569 1 18 . 1 1 71 71 GLU C C 71 174.993 174.993 174.850 0.143 25827 7570 1 18 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.566 0.646 25827 7571 1 18 . 1 1 71 71 GLU CB C 71 31.375 31.375 32.655 -1.280 25827 7572 1 18 . 1 1 71 71 GLU H H 71 8.081 8.081 8.336 -0.255 25827 7573 1 18 . 1 1 72 72 ALA N N 72 129.662 129.662 124.762 4.900 25827 7574 1 18 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.184 0.651 25827 7575 1 18 . 1 1 72 72 ALA C C 72 176.179 176.179 176.108 0.071 25827 7576 1 18 . 1 1 72 72 ALA CA C 72 49.992 49.992 51.056 -1.064 25827 7577 1 18 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.238 0.726 25827 7578 1 18 . 1 1 72 72 ALA H H 72 8.925 8.925 8.338 0.587 25827 7579 1 18 . 1 1 73 73 SER N N 73 114.042 114.042 115.842 -1.800 25827 7580 1 18 . 1 1 73 73 SER HA H 73 4.716 4.716 4.884 -0.168 25827 7581 1 18 . 1 1 73 73 SER C C 73 172.675 172.675 173.192 -0.517 25827 7582 1 18 . 1 1 73 73 SER CA C 73 57.156 57.156 57.397 -0.241 25827 7583 1 18 . 1 1 73 73 SER CB C 73 65.581 65.581 66.459 -0.878 25827 7584 1 18 . 1 1 73 73 SER H H 73 8.794 8.794 8.300 0.494 25827 7585 1 18 . 1 1 74 74 ILE N N 74 122.487 122.487 124.636 -2.149 25827 7586 1 18 . 1 1 74 74 ILE HA H 74 3.976 3.976 5.088 -1.112 25827 7587 1 18 . 1 1 74 74 ILE C C 74 176.045 176.045 174.506 1.539 25827 7588 1 18 . 1 1 74 74 ILE CA C 74 62.576 62.576 59.175 3.401 25827 7589 1 18 . 1 1 74 74 ILE CB C 74 38.471 38.471 40.979 -2.508 25827 7590 1 18 . 1 1 74 74 ILE H H 74 8.813 8.813 8.542 0.271 25827 7591 1 18 . 1 1 75 75 ALA N N 75 131.516 131.516 130.137 1.379 25827 7592 1 18 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.761 -0.297 25827 7593 1 18 . 1 1 75 75 ALA C C 75 176.045 176.045 175.004 1.041 25827 7594 1 18 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.081 1.148 25827 7595 1 18 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.408 -2.566 25827 7596 1 18 . 1 1 75 75 ALA H H 75 8.400 8.400 9.017 -0.617 25827 7597 1 19 . 1 1 2 2 GLY N N 2 109.659 109.659 107.141 2.518 25827 7598 1 19 . 1 1 2 2 GLY C C 2 174.061 174.061 173.844 0.217 25827 7599 1 19 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.411 1.240 25827 7600 1 19 . 1 1 2 2 GLY H H 2 8.539 8.539 8.316 0.223 25827 7601 1 19 . 1 1 3 3 HIS N N 3 120.603 120.603 119.818 0.785 25827 7602 1 19 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.443 -0.034 25827 7603 1 19 . 1 1 3 3 HIS C C 3 176.072 176.072 175.762 0.310 25827 7604 1 19 . 1 1 3 3 HIS CA C 3 56.011 56.011 57.656 -1.645 25827 7605 1 19 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.713 2.649 25827 7606 1 19 . 1 1 3 3 HIS H H 3 8.030 8.030 8.560 -0.530 25827 7607 1 19 . 1 1 4 4 MET N N 4 124.310 124.310 117.165 7.145 25827 7608 1 19 . 1 1 4 4 MET C C 4 176.179 176.179 175.280 0.899 25827 7609 1 19 . 1 1 4 4 MET CA C 4 61.071 61.071 55.948 5.123 25827 7610 1 19 . 1 1 4 4 MET CB C 4 38.720 38.720 31.180 7.540 25827 7611 1 19 . 1 1 4 4 MET H H 4 8.410 8.410 8.638 -0.228 25827 7612 1 19 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.296 -0.000 25827 7613 1 19 . 1 1 5 5 GLN C C 5 174.687 174.687 174.323 0.364 25827 7614 1 19 . 1 1 5 5 GLN CA C 5 56.218 56.218 55.565 0.653 25827 7615 1 19 . 1 1 5 5 GLN CB C 5 29.561 29.561 28.731 0.830 25827 7616 1 19 . 1 1 6 6 VAL N N 6 120.095 120.095 127.265 -7.170 25827 7617 1 19 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.082 0.265 25827 7618 1 19 . 1 1 6 6 VAL C C 6 174.807 174.807 174.971 -0.164 25827 7619 1 19 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.372 0.046 25827 7620 1 19 . 1 1 6 6 VAL CB C 6 34.320 34.320 31.782 2.538 25827 7621 1 19 . 1 1 6 6 VAL H H 6 7.942 7.942 8.302 -0.360 25827 7622 1 19 . 1 1 7 7 ALA N N 7 130.230 130.230 131.656 -1.426 25827 7623 1 19 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.924 -0.289 25827 7624 1 19 . 1 1 7 7 ALA C C 7 174.913 174.913 175.513 -0.600 25827 7625 1 19 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.565 0.119 25827 7626 1 19 . 1 1 7 7 ALA CB C 7 21.637 21.637 22.433 -0.796 25827 7627 1 19 . 1 1 7 7 ALA H H 7 8.952 8.952 8.591 0.361 25827 7628 1 19 . 1 1 8 8 THR N N 8 114.219 114.219 112.531 1.688 25827 7629 1 19 . 1 1 8 8 THR HA H 8 5.594 5.594 5.333 0.261 25827 7630 1 19 . 1 1 8 8 THR C C 8 174.846 174.846 174.213 0.633 25827 7631 1 19 . 1 1 8 8 THR CA C 8 61.524 61.524 59.655 1.869 25827 7632 1 19 . 1 1 8 8 THR CB C 8 71.228 71.228 70.594 0.634 25827 7633 1 19 . 1 1 8 8 THR H H 8 8.211 8.211 8.220 -0.009 25827 7634 1 19 . 1 1 9 9 SER N N 9 121.231 121.231 117.354 3.877 25827 7635 1 19 . 1 1 9 9 SER HA H 9 5.049 5.049 4.798 0.251 25827 7636 1 19 . 1 1 9 9 SER C C 9 172.023 172.023 172.515 -0.492 25827 7637 1 19 . 1 1 9 9 SER CA C 9 57.822 57.822 57.841 -0.019 25827 7638 1 19 . 1 1 9 9 SER CB C 9 67.178 67.178 64.860 2.318 25827 7639 1 19 . 1 1 9 9 SER H H 9 9.329 9.329 8.950 0.379 25827 7640 1 19 . 1 1 10 10 THR N N 10 119.646 119.646 118.163 1.483 25827 7641 1 19 . 1 1 10 10 THR HA H 10 5.423 5.423 5.574 -0.151 25827 7642 1 19 . 1 1 10 10 THR C C 10 173.754 173.754 172.447 1.307 25827 7643 1 19 . 1 1 10 10 THR CA C 10 61.591 61.591 59.829 1.762 25827 7644 1 19 . 1 1 10 10 THR CB C 10 70.230 70.230 71.700 -1.470 25827 7645 1 19 . 1 1 10 10 THR H H 10 8.790 8.790 8.817 -0.027 25827 7646 1 19 . 1 1 11 11 VAL N N 11 122.726 122.726 124.144 -1.418 25827 7647 1 19 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.145 -0.457 25827 7648 1 19 . 1 1 11 11 VAL C C 11 174.940 174.940 173.789 1.151 25827 7649 1 19 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.648 -0.161 25827 7650 1 19 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.502 -0.295 25827 7651 1 19 . 1 1 11 11 VAL H H 11 8.973 8.973 9.071 -0.098 25827 7652 1 19 . 1 1 12 12 ARG N N 12 127.240 127.240 128.861 -1.621 25827 7653 1 19 . 1 1 12 12 ARG HA H 12 4.551 4.551 5.117 -0.566 25827 7654 1 19 . 1 1 12 12 ARG C C 12 175.632 175.632 175.236 0.396 25827 7655 1 19 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.362 1.369 25827 7656 1 19 . 1 1 12 12 ARG CB C 12 31.020 31.020 32.144 -1.124 25827 7657 1 19 . 1 1 12 12 ARG H H 12 9.274 9.274 9.200 0.074 25827 7658 1 19 . 1 1 13 13 ILE N N 13 123.234 123.234 116.939 6.295 25827 7659 1 19 . 1 1 13 13 ILE HA H 13 4.741 4.741 5.279 -0.538 25827 7660 1 19 . 1 1 13 13 ILE C C 13 174.540 174.540 174.393 0.147 25827 7661 1 19 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.147 1.831 25827 7662 1 19 . 1 1 13 13 ILE CB C 13 41.487 41.487 41.510 -0.023 25827 7663 1 19 . 1 1 13 13 ILE H H 13 8.210 8.210 8.641 -0.431 25827 7664 1 19 . 1 1 14 14 LEU N N 14 128.287 128.287 126.991 1.296 25827 7665 1 19 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.822 -0.057 25827 7666 1 19 . 1 1 14 14 LEU C C 14 177.391 177.391 174.784 2.607 25827 7667 1 19 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.209 -0.102 25827 7668 1 19 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.843 -1.227 25827 7669 1 19 . 1 1 14 14 LEU H H 14 9.146 9.146 9.043 0.103 25827 7670 1 19 . 1 1 15 15 GLY N N 15 107.835 107.835 111.625 -3.790 25827 7671 1 19 . 1 1 15 15 GLY C C 15 175.726 175.726 174.332 1.394 25827 7672 1 19 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.488 -0.144 25827 7673 1 19 . 1 1 15 15 GLY H H 15 8.515 8.515 7.865 0.650 25827 7674 1 19 . 1 1 16 16 MET N N 16 120.244 120.244 117.922 2.322 25827 7675 1 19 . 1 1 16 16 MET HA H 16 4.699 4.699 4.464 0.235 25827 7676 1 19 . 1 1 16 16 MET C C 16 177.404 177.404 177.270 0.134 25827 7677 1 19 . 1 1 16 16 MET CA C 16 57.116 57.116 56.912 0.204 25827 7678 1 19 . 1 1 16 16 MET CB C 16 34.852 34.852 32.809 2.043 25827 7679 1 19 . 1 1 16 16 MET H H 16 8.925 8.925 8.684 0.241 25827 7680 1 19 . 1 1 17 17 THR C C 17 174.700 174.700 174.709 -0.009 25827 7681 1 19 . 1 1 17 17 THR CA C 17 62.736 62.736 60.182 2.554 25827 7682 1 19 . 1 1 17 17 THR CB C 17 64.427 64.427 67.972 -3.544 25827 7683 1 19 . 1 1 18 18 CYS N N 18 120.513 120.513 122.543 -2.030 25827 7684 1 19 . 1 1 18 18 CYS HA H 18 4.423 4.423 3.980 0.443 25827 7685 1 19 . 1 1 18 18 CYS C C 18 177.431 177.431 176.400 1.031 25827 7686 1 19 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.079 -4.572 25827 7687 1 19 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.878 14.386 25827 7688 1 19 . 1 1 18 18 CYS H H 18 8.691 8.691 8.406 0.285 25827 7689 1 19 . 1 1 19 19 GLN N N 19 121.231 121.231 121.521 -0.290 25827 7690 1 19 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.918 0.420 25827 7691 1 19 . 1 1 19 19 GLN C C 19 175.832 175.832 177.354 -1.522 25827 7692 1 19 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.153 -2.570 25827 7693 1 19 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.166 2.512 25827 7694 1 19 . 1 1 19 19 GLN H H 19 8.342 8.342 8.281 0.061 25827 7695 1 19 . 1 1 20 20 SER N N 20 116.089 116.089 115.076 1.013 25827 7696 1 19 . 1 1 20 20 SER HA H 20 4.381 4.381 4.203 0.178 25827 7697 1 19 . 1 1 20 20 SER C C 20 177.004 177.004 176.348 0.656 25827 7698 1 19 . 1 1 20 20 SER H H 20 7.953 7.953 8.374 -0.421 25827 7699 1 19 . 1 1 21 21 CYS N N 21 125.147 125.147 119.452 5.695 25827 7700 1 19 . 1 1 21 21 CYS HA H 21 4.082 4.082 4.271 -0.189 25827 7701 1 19 . 1 1 21 21 CYS C C 21 177.004 177.004 176.607 0.397 25827 7702 1 19 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.695 2.467 25827 7703 1 19 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.873 2.981 25827 7704 1 19 . 1 1 21 21 CYS H H 21 7.854 7.854 7.334 0.520 25827 7705 1 19 . 1 1 22 22 VAL N N 22 118.062 118.062 123.087 -5.025 25827 7706 1 19 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.540 0.812 25827 7707 1 19 . 1 1 22 22 VAL C C 22 177.178 177.178 178.010 -0.832 25827 7708 1 19 . 1 1 22 22 VAL CA C 22 66.545 66.545 67.160 -0.615 25827 7709 1 19 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.366 0.364 25827 7710 1 19 . 1 1 22 22 VAL H H 22 6.834 6.834 7.784 -0.950 25827 7711 1 19 . 1 1 23 23 LYS N N 23 117.823 117.823 119.527 -1.704 25827 7712 1 19 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.930 0.152 25827 7713 1 19 . 1 1 23 23 LYS C C 23 178.456 178.456 178.812 -0.356 25827 7714 1 19 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.776 -0.982 25827 7715 1 19 . 1 1 23 23 LYS CB C 23 32.439 32.439 31.988 0.450 25827 7716 1 19 . 1 1 23 23 LYS H H 23 7.936 7.936 8.143 -0.207 25827 7717 1 19 . 1 1 24 24 SER N N 24 113.895 113.895 115.765 -1.870 25827 7718 1 19 . 1 1 24 24 SER HA H 24 4.068 4.068 4.167 -0.099 25827 7719 1 19 . 1 1 24 24 SER C C 24 177.364 177.364 176.417 0.947 25827 7720 1 19 . 1 1 24 24 SER CA C 24 62.017 62.017 61.904 0.113 25827 7721 1 19 . 1 1 24 24 SER CB C 24 62.600 62.600 63.166 -0.566 25827 7722 1 19 . 1 1 24 24 SER H H 24 8.062 8.062 8.035 0.027 25827 7723 1 19 . 1 1 25 25 ILE N N 25 122.845 122.845 121.911 0.934 25827 7724 1 19 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.822 -0.280 25827 7725 1 19 . 1 1 25 25 ILE C C 25 177.537 177.537 176.631 0.906 25827 7726 1 19 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.594 2.418 25827 7727 1 19 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.872 0.919 25827 7728 1 19 . 1 1 25 25 ILE H H 25 7.888 7.888 8.018 -0.130 25827 7729 1 19 . 1 1 26 26 GLU N N 26 118.630 118.630 122.331 -3.701 25827 7730 1 19 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.953 -0.325 25827 7731 1 19 . 1 1 26 26 GLU C C 26 180.041 180.041 178.846 1.195 25827 7732 1 19 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.313 1.865 25827 7733 1 19 . 1 1 26 26 GLU CB C 26 29.601 29.601 28.851 0.750 25827 7734 1 19 . 1 1 26 26 GLU H H 26 8.519 8.519 7.961 0.558 25827 7735 1 19 . 1 1 27 27 ASP N N 27 119.676 119.676 119.640 0.036 25827 7736 1 19 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.374 -0.036 25827 7737 1 19 . 1 1 27 27 ASP C C 27 178.070 178.070 178.706 -0.636 25827 7738 1 19 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.459 0.070 25827 7739 1 19 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.652 -0.229 25827 7740 1 19 . 1 1 27 27 ASP H H 27 8.973 8.973 7.997 0.976 25827 7741 1 19 . 1 1 28 28 ARG N N 28 118.092 118.092 120.217 -2.125 25827 7742 1 19 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.104 0.077 25827 7743 1 19 . 1 1 28 28 ARG C C 28 179.296 179.296 178.640 0.656 25827 7744 1 19 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.311 0.284 25827 7745 1 19 . 1 1 28 28 ARG CB C 28 30.310 30.310 29.881 0.429 25827 7746 1 19 . 1 1 28 28 ARG H H 28 7.630 7.630 7.398 0.232 25827 7747 1 19 . 1 1 29 29 ILE N N 29 116.597 116.597 119.041 -2.444 25827 7748 1 19 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.860 0.087 25827 7749 1 19 . 1 1 29 29 ILE C C 29 177.777 177.777 177.565 0.212 25827 7750 1 19 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.145 -3.460 25827 7751 1 19 . 1 1 29 29 ILE CB C 29 35.278 35.278 38.170 -2.892 25827 7752 1 19 . 1 1 29 29 ILE H H 29 8.427 8.427 8.485 -0.058 25827 7753 1 19 . 1 1 30 30 SER N N 30 113.160 113.160 115.585 -2.425 25827 7754 1 19 . 1 1 30 30 SER HA H 30 4.049 4.049 4.264 -0.215 25827 7755 1 19 . 1 1 30 30 SER C C 30 173.941 173.941 175.667 -1.726 25827 7756 1 19 . 1 1 30 30 SER CA C 30 62.110 62.110 61.414 0.696 25827 7757 1 19 . 1 1 30 30 SER CB C 30 62.884 62.884 63.357 -0.473 25827 7758 1 19 . 1 1 30 30 SER H H 30 8.236 8.236 8.267 -0.031 25827 7759 1 19 . 1 1 31 31 ASN N N 31 115.520 115.520 118.610 -3.090 25827 7760 1 19 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.709 0.065 25827 7761 1 19 . 1 1 31 31 ASN C C 31 175.046 175.046 174.424 0.622 25827 7762 1 19 . 1 1 31 31 ASN CA C 31 53.547 53.547 53.522 0.025 25827 7763 1 19 . 1 1 31 31 ASN CB C 31 39.997 39.997 39.133 0.864 25827 7764 1 19 . 1 1 31 31 ASN H H 31 6.919 6.919 7.674 -0.755 25827 7765 1 19 . 1 1 32 32 LEU N N 32 122.666 122.666 122.131 0.535 25827 7766 1 19 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.386 -0.050 25827 7767 1 19 . 1 1 32 32 LEU C C 32 177.071 177.071 175.761 1.310 25827 7768 1 19 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.373 0.466 25827 7769 1 19 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.543 -0.736 25827 7770 1 19 . 1 1 32 32 LEU H H 32 7.620 7.620 7.057 0.563 25827 7771 1 19 . 1 1 33 33 LYS N N 33 125.955 125.955 126.994 -1.039 25827 7772 1 19 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.455 -0.401 25827 7773 1 19 . 1 1 33 33 LYS C C 33 176.698 176.698 177.341 -0.643 25827 7774 1 19 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.502 1.480 25827 7775 1 19 . 1 1 33 33 LYS CB C 33 31.942 31.942 33.208 -1.266 25827 7776 1 19 . 1 1 33 33 LYS H H 33 8.451 8.451 8.757 -0.306 25827 7777 1 19 . 1 1 34 34 GLY N N 34 110.541 110.541 108.472 2.069 25827 7778 1 19 . 1 1 34 34 GLY C C 34 173.381 173.381 174.530 -1.149 25827 7779 1 19 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.863 0.681 25827 7780 1 19 . 1 1 34 34 GLY H H 34 8.616 8.616 8.843 -0.227 25827 7781 1 19 . 1 1 35 35 ILE N N 35 119.258 119.258 117.997 1.261 25827 7782 1 19 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.504 -0.232 25827 7783 1 19 . 1 1 35 35 ILE C C 35 176.352 176.352 175.560 0.792 25827 7784 1 19 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.928 -3.320 25827 7785 1 19 . 1 1 35 35 ILE CB C 35 35.029 35.029 37.949 -2.920 25827 7786 1 19 . 1 1 35 35 ILE H H 35 7.580 7.580 7.511 0.069 25827 7787 1 19 . 1 1 36 36 ILE N N 36 130.708 130.708 128.143 2.565 25827 7788 1 19 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.088 -0.007 25827 7789 1 19 . 1 1 36 36 ILE C C 36 176.298 176.298 176.553 -0.255 25827 7790 1 19 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.957 -1.166 25827 7791 1 19 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.857 -0.705 25827 7792 1 19 . 1 1 36 36 ILE H H 36 9.244 9.244 8.453 0.791 25827 7793 1 19 . 1 1 37 37 SER N N 37 111.336 111.336 112.151 -0.815 25827 7794 1 19 . 1 1 37 37 SER HA H 37 4.613 4.613 4.669 -0.056 25827 7795 1 19 . 1 1 37 37 SER C C 37 171.809 171.809 172.190 -0.381 25827 7796 1 19 . 1 1 37 37 SER CA C 37 57.636 57.636 57.678 -0.042 25827 7797 1 19 . 1 1 37 37 SER CB C 37 64.729 64.729 65.602 -0.873 25827 7798 1 19 . 1 1 37 37 SER H H 37 8.002 8.002 8.011 -0.009 25827 7799 1 19 . 1 1 38 38 MET N N 38 123.742 123.742 121.612 2.130 25827 7800 1 19 . 1 1 38 38 MET HA H 38 5.006 5.006 5.177 -0.171 25827 7801 1 19 . 1 1 38 38 MET C C 38 172.755 172.755 174.379 -1.624 25827 7802 1 19 . 1 1 38 38 MET CA C 38 54.719 54.719 55.233 -0.514 25827 7803 1 19 . 1 1 38 38 MET CB C 38 35.562 35.562 36.011 -0.449 25827 7804 1 19 . 1 1 38 38 MET H H 38 8.651 8.651 8.542 0.109 25827 7805 1 19 . 1 1 39 39 LYS N N 39 126.343 126.343 125.435 0.908 25827 7806 1 19 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.813 0.141 25827 7807 1 19 . 1 1 39 39 LYS C C 39 175.872 175.872 174.167 1.705 25827 7808 1 19 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.104 -1.197 25827 7809 1 19 . 1 1 39 39 LYS CB C 39 34.604 34.604 37.046 -2.442 25827 7810 1 19 . 1 1 39 39 LYS H H 39 8.173 8.173 9.145 -0.972 25827 7811 1 19 . 1 1 40 40 VAL N N 40 131.217 131.217 121.679 9.538 25827 7812 1 19 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.340 -0.073 25827 7813 1 19 . 1 1 40 40 VAL C C 40 174.327 174.327 174.320 0.007 25827 7814 1 19 . 1 1 40 40 VAL CA C 40 61.899 61.899 60.827 1.072 25827 7815 1 19 . 1 1 40 40 VAL CB C 40 32.617 32.617 34.922 -2.305 25827 7816 1 19 . 1 1 40 40 VAL H H 40 10.339 10.339 8.432 1.907 25827 7817 1 19 . 1 1 41 41 SER N N 41 121.440 121.440 125.920 -4.480 25827 7818 1 19 . 1 1 41 41 SER HA H 41 4.878 4.878 4.806 0.072 25827 7819 1 19 . 1 1 41 41 SER C C 41 175.179 175.179 174.405 0.774 25827 7820 1 19 . 1 1 41 41 SER CA C 41 55.359 55.359 56.664 -1.305 25827 7821 1 19 . 1 1 41 41 SER CB C 41 63.381 63.381 62.332 1.049 25827 7822 1 19 . 1 1 41 41 SER H H 41 9.122 9.122 8.927 0.195 25827 7823 1 19 . 1 1 42 42 LEU N N 42 131.575 131.575 127.660 3.915 25827 7824 1 19 . 1 1 42 42 LEU HA H 42 4.805 4.805 3.952 0.853 25827 7825 1 19 . 1 1 42 42 LEU C C 42 179.189 179.189 177.913 1.276 25827 7826 1 19 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.825 0.438 25827 7827 1 19 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.322 -0.409 25827 7828 1 19 . 1 1 42 42 LEU H H 42 9.139 9.139 8.326 0.813 25827 7829 1 19 . 1 1 43 43 GLU N N 43 117.524 117.524 118.751 -1.227 25827 7830 1 19 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.030 0.775 25827 7831 1 19 . 1 1 43 43 GLU C C 43 178.456 178.456 177.504 0.952 25827 7832 1 19 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.414 1.512 25827 7833 1 19 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.044 0.273 25827 7834 1 19 . 1 1 43 43 GLU H H 43 9.041 9.041 8.563 0.478 25827 7835 1 19 . 1 1 44 44 GLN N N 44 113.278 113.278 116.619 -3.341 25827 7836 1 19 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.342 -0.006 25827 7837 1 19 . 1 1 44 44 GLN C C 44 176.765 176.765 177.107 -0.342 25827 7838 1 19 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.519 0.026 25827 7839 1 19 . 1 1 44 44 GLN CB C 44 29.601 29.601 28.858 0.743 25827 7840 1 19 . 1 1 44 44 GLN H H 44 7.651 7.651 7.941 -0.290 25827 7841 1 19 . 1 1 45 45 GLY N N 45 110.453 110.453 109.808 0.645 25827 7842 1 19 . 1 1 45 45 GLY C C 45 174.487 174.487 173.354 1.133 25827 7843 1 19 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.886 1.456 25827 7844 1 19 . 1 1 45 45 GLY H H 45 7.884 7.884 7.975 -0.091 25827 7845 1 19 . 1 1 46 46 SER N N 46 111.130 111.130 112.952 -1.822 25827 7846 1 19 . 1 1 46 46 SER HA H 46 5.412 5.412 5.529 -0.117 25827 7847 1 19 . 1 1 46 46 SER C C 46 171.503 171.503 172.210 -0.707 25827 7848 1 19 . 1 1 46 46 SER CA C 46 56.544 56.544 57.043 -0.499 25827 7849 1 19 . 1 1 46 46 SER CB C 46 66.327 66.327 66.726 -0.399 25827 7850 1 19 . 1 1 46 46 SER H H 46 7.807 7.807 8.006 -0.199 25827 7851 1 19 . 1 1 47 47 ALA N N 47 120.663 120.663 121.908 -1.245 25827 7852 1 19 . 1 1 47 47 ALA HA H 47 5.295 5.295 4.778 0.517 25827 7853 1 19 . 1 1 47 47 ALA C C 47 175.806 175.806 175.613 0.193 25827 7854 1 19 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.629 -0.277 25827 7855 1 19 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.083 2.868 25827 7856 1 19 . 1 1 47 47 ALA H H 47 9.349 9.349 9.013 0.336 25827 7857 1 19 . 1 1 48 48 THR N N 48 117.344 117.344 118.713 -1.369 25827 7858 1 19 . 1 1 48 48 THR HA H 48 4.880 4.880 5.202 -0.323 25827 7859 1 19 . 1 1 48 48 THR C C 48 173.847 173.847 172.990 0.857 25827 7860 1 19 . 1 1 48 48 THR CA C 48 62.163 62.163 61.897 0.266 25827 7861 1 19 . 1 1 48 48 THR CB C 48 69.698 69.698 70.903 -1.205 25827 7862 1 19 . 1 1 48 48 THR H H 48 8.634 8.634 9.030 -0.396 25827 7863 1 19 . 1 1 49 49 VAL N N 49 129.782 129.782 126.444 3.338 25827 7864 1 19 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.772 0.086 25827 7865 1 19 . 1 1 49 49 VAL C C 49 173.208 173.208 173.030 0.178 25827 7866 1 19 . 1 1 49 49 VAL CA C 49 59.860 59.860 59.589 0.271 25827 7867 1 19 . 1 1 49 49 VAL CB C 49 34.852 34.852 35.874 -1.022 25827 7868 1 19 . 1 1 49 49 VAL H H 49 9.400 9.400 9.387 0.013 25827 7869 1 19 . 1 1 50 50 LYS N N 50 128.107 128.107 129.641 -1.534 25827 7870 1 19 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.240 0.684 25827 7871 1 19 . 1 1 50 50 LYS C C 50 176.671 176.671 174.532 2.139 25827 7872 1 19 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.818 0.234 25827 7873 1 19 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.562 -0.207 25827 7874 1 19 . 1 1 50 50 LYS H H 50 8.997 8.997 8.804 0.193 25827 7875 1 19 . 1 1 51 51 TYR N N 51 124.310 124.310 125.431 -1.121 25827 7876 1 19 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.779 0.772 25827 7877 1 19 . 1 1 51 51 TYR C C 51 171.343 171.343 173.342 -1.999 25827 7878 1 19 . 1 1 51 51 TYR CA C 51 55.492 55.492 57.636 -2.144 25827 7879 1 19 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.045 -1.593 25827 7880 1 19 . 1 1 51 51 TYR H H 51 9.478 9.478 9.110 0.368 25827 7881 1 19 . 1 1 52 52 VAL N N 52 122.068 122.068 123.624 -1.556 25827 7882 1 19 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.775 -0.055 25827 7883 1 19 . 1 1 52 52 VAL C C 52 176.045 176.045 175.394 0.651 25827 7884 1 19 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.221 0.359 25827 7885 1 19 . 1 1 52 52 VAL CB C 52 32.688 32.688 30.826 1.862 25827 7886 1 19 . 1 1 52 52 VAL H H 52 8.702 8.702 8.173 0.529 25827 7887 1 19 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.806 -0.439 25827 7888 1 19 . 1 1 53 53 PRO C C 53 177.111 177.111 178.914 -1.803 25827 7889 1 19 . 1 1 53 53 PRO CA C 53 64.341 64.341 64.989 -0.648 25827 7890 1 19 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.078 -0.137 25827 7891 1 19 . 1 1 54 54 SER N N 54 109.924 109.924 114.361 -4.437 25827 7892 1 19 . 1 1 54 54 SER HA H 54 4.345 4.345 4.227 0.118 25827 7893 1 19 . 1 1 54 54 SER C C 54 174.580 174.580 176.308 -1.728 25827 7894 1 19 . 1 1 54 54 SER CA C 54 59.726 59.726 60.941 -1.215 25827 7895 1 19 . 1 1 54 54 SER CB C 54 62.635 62.635 62.786 -0.151 25827 7896 1 19 . 1 1 54 54 SER H H 54 7.898 7.898 8.370 -0.472 25827 7897 1 19 . 1 1 55 55 VAL N N 55 121.919 121.919 120.172 1.747 25827 7898 1 19 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.916 0.207 25827 7899 1 19 . 1 1 55 55 VAL C C 55 174.607 174.607 176.535 -1.928 25827 7900 1 19 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.843 -1.121 25827 7901 1 19 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.696 1.872 25827 7902 1 19 . 1 1 55 55 VAL H H 55 8.163 8.163 7.491 0.672 25827 7903 1 19 . 1 1 56 56 VAL N N 56 121.380 121.380 117.450 3.930 25827 7904 1 19 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.336 0.235 25827 7905 1 19 . 1 1 56 56 VAL C C 56 170.477 170.477 174.793 -4.316 25827 7906 1 19 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.684 -0.851 25827 7907 1 19 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.593 0.827 25827 7908 1 19 . 1 1 56 56 VAL H H 56 8.254 8.254 7.800 0.454 25827 7909 1 19 . 1 1 57 57 CYS N N 57 121.201 121.201 125.404 -4.203 25827 7910 1 19 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.535 0.569 25827 7911 1 19 . 1 1 57 57 CYS C C 57 176.591 176.591 176.174 0.417 25827 7912 1 19 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.938 -2.313 25827 7913 1 19 . 1 1 57 57 CYS CB C 57 30.878 30.878 28.326 2.552 25827 7914 1 19 . 1 1 57 57 CYS H H 57 7.885 7.885 8.828 -0.943 25827 7915 1 19 . 1 1 58 58 LEU N N 58 125.028 125.028 123.529 1.499 25827 7916 1 19 . 1 1 58 58 LEU HA H 58 3.628 3.628 4.052 -0.424 25827 7917 1 19 . 1 1 58 58 LEU C C 58 179.335 179.335 178.665 0.670 25827 7918 1 19 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.765 -0.360 25827 7919 1 19 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.305 0.003 25827 7920 1 19 . 1 1 58 58 LEU H H 58 8.555 8.555 8.775 -0.220 25827 7921 1 19 . 1 1 59 59 GLN N N 59 120.812 120.812 118.496 2.316 25827 7922 1 19 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.996 -0.027 25827 7923 1 19 . 1 1 59 59 GLN C C 59 178.629 178.629 178.762 -0.133 25827 7924 1 19 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.261 0.492 25827 7925 1 19 . 1 1 59 59 GLN CB C 59 27.888 27.888 28.086 -0.198 25827 7926 1 19 . 1 1 59 59 GLN H H 59 9.081 9.081 8.696 0.385 25827 7927 1 19 . 1 1 60 60 GLN N N 60 120.513 120.513 118.289 2.224 25827 7928 1 19 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.117 0.044 25827 7929 1 19 . 1 1 60 60 GLN C C 60 179.002 179.002 178.321 0.681 25827 7930 1 19 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.511 0.376 25827 7931 1 19 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.385 0.364 25827 7932 1 19 . 1 1 60 60 GLN H H 60 7.793 7.793 7.631 0.162 25827 7933 1 19 . 1 1 61 61 VAL N N 61 119.886 119.886 120.455 -0.569 25827 7934 1 19 . 1 1 61 61 VAL HA H 61 3.294 3.294 4.013 -0.719 25827 7935 1 19 . 1 1 61 61 VAL C C 61 177.564 177.564 178.515 -0.951 25827 7936 1 19 . 1 1 61 61 VAL CA C 61 67.104 67.104 65.690 1.414 25827 7937 1 19 . 1 1 61 61 VAL CB C 61 31.233 31.233 30.856 0.377 25827 7938 1 19 . 1 1 61 61 VAL H H 61 7.359 7.359 7.508 -0.149 25827 7939 1 19 . 1 1 62 62 CYS N N 62 116.059 116.059 118.994 -2.935 25827 7940 1 19 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.036 -0.232 25827 7941 1 19 . 1 1 62 62 CYS C C 62 177.630 177.630 176.795 0.835 25827 7942 1 19 . 1 1 62 62 CYS CA C 62 64.667 64.667 63.092 1.575 25827 7943 1 19 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.261 0.252 25827 7944 1 19 . 1 1 62 62 CYS H H 62 8.034 8.034 8.398 -0.364 25827 7945 1 19 . 1 1 63 63 HIS N N 63 121.440 121.440 119.994 1.446 25827 7946 1 19 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.196 0.227 25827 7947 1 19 . 1 1 63 63 HIS C C 63 178.097 178.097 177.567 0.530 25827 7948 1 19 . 1 1 63 63 HIS CA C 63 59.340 59.340 60.298 -0.958 25827 7949 1 19 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.866 0.515 25827 7950 1 19 . 1 1 63 63 HIS H H 63 8.430 8.430 8.283 0.147 25827 7951 1 19 . 1 1 64 64 GLN N N 64 118.839 118.839 118.138 0.701 25827 7952 1 19 . 1 1 64 64 GLN HA H 64 4.027 4.027 3.978 0.049 25827 7953 1 19 . 1 1 64 64 GLN C C 64 178.536 178.536 178.247 0.289 25827 7954 1 19 . 1 1 64 64 GLN CA C 64 59.340 59.340 59.117 0.223 25827 7955 1 19 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.717 -0.607 25827 7956 1 19 . 1 1 64 64 GLN H H 64 8.102 8.102 8.121 -0.019 25827 7957 1 19 . 1 1 65 65 ILE N N 65 119.228 119.228 119.196 0.032 25827 7958 1 19 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.070 -0.385 25827 7959 1 19 . 1 1 65 65 ILE C C 65 178.656 178.656 177.877 0.779 25827 7960 1 19 . 1 1 65 65 ILE CA C 65 66.052 66.052 62.747 3.305 25827 7961 1 19 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.493 -0.128 25827 7962 1 19 . 1 1 65 65 ILE H H 65 7.858 7.858 7.401 0.457 25827 7963 1 19 . 1 1 66 66 GLY N N 66 109.453 109.453 108.618 0.835 25827 7964 1 19 . 1 1 66 66 GLY C C 66 178.643 178.643 175.729 2.914 25827 7965 1 19 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.257 -0.155 25827 7966 1 19 . 1 1 66 66 GLY H H 66 8.379 8.379 8.574 -0.195 25827 7967 1 19 . 1 1 67 67 ASP N N 67 123.114 123.114 121.455 1.659 25827 7968 1 19 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.201 0.263 25827 7969 1 19 . 1 1 67 67 ASP C C 67 177.497 177.497 177.528 -0.031 25827 7970 1 19 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.286 0.271 25827 7971 1 19 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.670 0.426 25827 7972 1 19 . 1 1 67 67 ASP H H 67 8.091 8.091 8.131 -0.040 25827 7973 1 19 . 1 1 68 68 MET N N 68 115.939 115.939 117.281 -1.342 25827 7974 1 19 . 1 1 68 68 MET HA H 68 4.297 4.297 4.262 0.035 25827 7975 1 19 . 1 1 68 68 MET C C 68 175.739 175.739 177.299 -1.560 25827 7976 1 19 . 1 1 68 68 MET CA C 68 56.490 56.490 56.398 0.092 25827 7977 1 19 . 1 1 68 68 MET CB C 68 34.355 34.355 33.355 1.000 25827 7978 1 19 . 1 1 68 68 MET H H 68 7.576 7.576 7.481 0.095 25827 7979 1 19 . 1 1 69 69 GLY N N 69 104.775 104.775 106.279 -1.504 25827 7980 1 19 . 1 1 69 69 GLY C C 69 173.328 173.328 173.918 -0.590 25827 7981 1 19 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.421 0.364 25827 7982 1 19 . 1 1 69 69 GLY H H 69 7.880 7.880 8.048 -0.168 25827 7983 1 19 . 1 1 70 70 PHE N N 70 118.809 118.809 119.886 -1.077 25827 7984 1 19 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.684 0.228 25827 7985 1 19 . 1 1 70 70 PHE C C 70 173.768 173.768 174.486 -0.718 25827 7986 1 19 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.554 -0.396 25827 7987 1 19 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.392 -0.756 25827 7988 1 19 . 1 1 70 70 PHE H H 70 6.905 6.905 7.372 -0.467 25827 7989 1 19 . 1 1 71 71 GLU N N 71 119.497 119.497 121.776 -2.279 25827 7990 1 19 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.373 0.208 25827 7991 1 19 . 1 1 71 71 GLU C C 71 174.993 174.993 174.680 0.313 25827 7992 1 19 . 1 1 71 71 GLU CA C 71 56.212 56.212 56.741 -0.529 25827 7993 1 19 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.398 -0.023 25827 7994 1 19 . 1 1 71 71 GLU H H 71 8.081 8.081 8.466 -0.385 25827 7995 1 19 . 1 1 72 72 ALA N N 72 129.662 129.662 127.621 2.041 25827 7996 1 19 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.559 0.276 25827 7997 1 19 . 1 1 72 72 ALA C C 72 176.179 176.179 175.779 0.400 25827 7998 1 19 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.917 -0.925 25827 7999 1 19 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.457 0.506 25827 8000 1 19 . 1 1 72 72 ALA H H 72 8.925 8.925 8.357 0.568 25827 8001 1 19 . 1 1 73 73 SER N N 73 114.042 114.042 116.219 -2.177 25827 8002 1 19 . 1 1 73 73 SER HA H 73 4.716 4.716 4.984 -0.268 25827 8003 1 19 . 1 1 73 73 SER C C 73 172.675 172.675 173.386 -0.711 25827 8004 1 19 . 1 1 73 73 SER CA C 73 57.156 57.156 56.382 0.774 25827 8005 1 19 . 1 1 73 73 SER CB C 73 65.581 65.581 65.301 0.280 25827 8006 1 19 . 1 1 73 73 SER H H 73 8.794 8.794 8.762 0.032 25827 8007 1 19 . 1 1 74 74 ILE N N 74 122.487 122.487 121.111 1.376 25827 8008 1 19 . 1 1 74 74 ILE HA H 74 3.976 3.976 5.316 -1.340 25827 8009 1 19 . 1 1 74 74 ILE C C 74 176.045 176.045 175.228 0.817 25827 8010 1 19 . 1 1 74 74 ILE CA C 74 62.576 62.576 59.517 3.059 25827 8011 1 19 . 1 1 74 74 ILE CB C 74 38.471 38.471 39.646 -1.175 25827 8012 1 19 . 1 1 74 74 ILE H H 74 8.813 8.813 8.549 0.264 25827 8013 1 19 . 1 1 75 75 ALA N N 75 131.516 131.516 127.378 4.138 25827 8014 1 19 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.698 -0.234 25827 8015 1 19 . 1 1 75 75 ALA C C 75 176.045 176.045 175.156 0.889 25827 8016 1 19 . 1 1 75 75 ALA CA C 75 52.229 52.229 51.454 0.775 25827 8017 1 19 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.171 -2.329 25827 8018 1 19 . 1 1 75 75 ALA H H 75 8.400 8.400 9.027 -0.627 25827 8019 1 20 . 1 1 2 2 GLY N N 2 109.659 109.659 109.029 0.630 25827 8020 1 20 . 1 1 2 2 GLY C C 2 174.061 174.061 173.085 0.976 25827 8021 1 20 . 1 1 2 2 GLY CA C 2 45.651 45.651 44.776 0.875 25827 8022 1 20 . 1 1 2 2 GLY H H 2 8.539 8.539 8.283 0.256 25827 8023 1 20 . 1 1 3 3 HIS N N 3 120.603 120.603 120.413 0.190 25827 8024 1 20 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.789 -0.380 25827 8025 1 20 . 1 1 3 3 HIS C C 3 176.072 176.072 175.284 0.788 25827 8026 1 20 . 1 1 3 3 HIS CA C 3 56.011 56.011 56.001 0.010 25827 8027 1 20 . 1 1 3 3 HIS CB C 3 33.362 33.362 31.860 1.502 25827 8028 1 20 . 1 1 3 3 HIS H H 3 8.030 8.030 8.501 -0.471 25827 8029 1 20 . 1 1 4 4 MET N N 4 124.310 124.310 124.756 -0.446 25827 8030 1 20 . 1 1 4 4 MET C C 4 176.179 176.179 176.378 -0.199 25827 8031 1 20 . 1 1 4 4 MET CA C 4 61.071 61.071 57.535 3.536 25827 8032 1 20 . 1 1 4 4 MET CB C 4 38.720 38.720 33.276 5.444 25827 8033 1 20 . 1 1 4 4 MET H H 4 8.410 8.410 8.885 -0.475 25827 8034 1 20 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.432 -0.136 25827 8035 1 20 . 1 1 5 5 GLN C C 5 174.687 174.687 173.482 1.205 25827 8036 1 20 . 1 1 5 5 GLN CA C 5 56.218 56.218 56.097 0.121 25827 8037 1 20 . 1 1 5 5 GLN CB C 5 29.561 29.561 31.413 -1.852 25827 8038 1 20 . 1 1 6 6 VAL N N 6 120.095 120.095 119.724 0.371 25827 8039 1 20 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.609 -0.262 25827 8040 1 20 . 1 1 6 6 VAL C C 6 174.807 174.807 175.086 -0.279 25827 8041 1 20 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.127 0.291 25827 8042 1 20 . 1 1 6 6 VAL CB C 6 34.320 34.320 32.343 1.977 25827 8043 1 20 . 1 1 6 6 VAL H H 6 7.942 7.942 7.833 0.109 25827 8044 1 20 . 1 1 7 7 ALA N N 7 130.230 130.230 130.751 -0.521 25827 8045 1 20 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.570 0.065 25827 8046 1 20 . 1 1 7 7 ALA C C 7 174.913 174.913 175.370 -0.457 25827 8047 1 20 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.658 0.026 25827 8048 1 20 . 1 1 7 7 ALA CB C 7 21.637 21.637 22.255 -0.618 25827 8049 1 20 . 1 1 7 7 ALA H H 7 8.952 8.952 8.957 -0.005 25827 8050 1 20 . 1 1 8 8 THR N N 8 114.219 114.219 112.986 1.233 25827 8051 1 20 . 1 1 8 8 THR HA H 8 5.594 5.594 5.509 0.085 25827 8052 1 20 . 1 1 8 8 THR C C 8 174.846 174.846 174.278 0.568 25827 8053 1 20 . 1 1 8 8 THR CA C 8 61.524 61.524 59.644 1.880 25827 8054 1 20 . 1 1 8 8 THR CB C 8 71.228 71.228 71.627 -0.399 25827 8055 1 20 . 1 1 8 8 THR H H 8 8.211 8.211 8.102 0.109 25827 8056 1 20 . 1 1 9 9 SER N N 9 121.231 121.231 118.264 2.967 25827 8057 1 20 . 1 1 9 9 SER HA H 9 5.049 5.049 4.708 0.341 25827 8058 1 20 . 1 1 9 9 SER C C 9 172.023 172.023 172.979 -0.956 25827 8059 1 20 . 1 1 9 9 SER CA C 9 57.822 57.822 57.387 0.435 25827 8060 1 20 . 1 1 9 9 SER CB C 9 67.178 67.178 65.923 1.255 25827 8061 1 20 . 1 1 9 9 SER H H 9 9.329 9.329 8.747 0.582 25827 8062 1 20 . 1 1 10 10 THR N N 10 119.646 119.646 114.263 5.383 25827 8063 1 20 . 1 1 10 10 THR HA H 10 5.423 5.423 5.196 0.227 25827 8064 1 20 . 1 1 10 10 THR C C 10 173.754 173.754 173.393 0.361 25827 8065 1 20 . 1 1 10 10 THR CA C 10 61.591 61.591 60.740 0.851 25827 8066 1 20 . 1 1 10 10 THR CB C 10 70.230 70.230 70.101 0.129 25827 8067 1 20 . 1 1 10 10 THR H H 10 8.790 8.790 8.914 -0.124 25827 8068 1 20 . 1 1 11 11 VAL N N 11 122.726 122.726 126.062 -3.336 25827 8069 1 20 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.211 -0.523 25827 8070 1 20 . 1 1 11 11 VAL C C 11 174.940 174.940 174.125 0.815 25827 8071 1 20 . 1 1 11 11 VAL CA C 11 59.487 59.487 58.858 0.629 25827 8072 1 20 . 1 1 11 11 VAL CB C 11 35.207 35.207 34.941 0.266 25827 8073 1 20 . 1 1 11 11 VAL H H 11 8.973 8.973 9.215 -0.242 25827 8074 1 20 . 1 1 12 12 ARG N N 12 127.240 127.240 128.644 -1.404 25827 8075 1 20 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.657 -0.106 25827 8076 1 20 . 1 1 12 12 ARG C C 12 175.632 175.632 175.415 0.217 25827 8077 1 20 . 1 1 12 12 ARG CA C 12 55.731 55.731 55.194 0.536 25827 8078 1 20 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.204 -0.184 25827 8079 1 20 . 1 1 12 12 ARG H H 12 9.274 9.274 8.897 0.377 25827 8080 1 20 . 1 1 13 13 ILE N N 13 123.234 123.234 118.705 4.529 25827 8081 1 20 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.865 -0.124 25827 8082 1 20 . 1 1 13 13 ILE C C 13 174.540 174.540 173.723 0.817 25827 8083 1 20 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.681 1.296 25827 8084 1 20 . 1 1 13 13 ILE CB C 13 41.487 41.487 38.819 2.668 25827 8085 1 20 . 1 1 13 13 ILE H H 13 8.210 8.210 8.869 -0.659 25827 8086 1 20 . 1 1 14 14 LEU N N 14 128.287 128.287 128.977 -0.690 25827 8087 1 20 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.796 -0.031 25827 8088 1 20 . 1 1 14 14 LEU C C 14 177.391 177.391 174.819 2.572 25827 8089 1 20 . 1 1 14 14 LEU CA C 14 54.107 54.107 54.073 0.034 25827 8090 1 20 . 1 1 14 14 LEU CB C 14 43.616 43.616 45.196 -1.580 25827 8091 1 20 . 1 1 14 14 LEU H H 14 9.146 9.146 8.805 0.341 25827 8092 1 20 . 1 1 15 15 GLY N N 15 107.835 107.835 111.459 -3.624 25827 8093 1 20 . 1 1 15 15 GLY C C 15 175.726 175.726 174.727 0.999 25827 8094 1 20 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.726 -0.382 25827 8095 1 20 . 1 1 15 15 GLY H H 15 8.515 8.515 7.886 0.629 25827 8096 1 20 . 1 1 16 16 MET N N 16 120.244 120.244 118.932 1.312 25827 8097 1 20 . 1 1 16 16 MET HA H 16 4.699 4.699 4.421 0.278 25827 8098 1 20 . 1 1 16 16 MET C C 16 177.404 177.404 177.059 0.345 25827 8099 1 20 . 1 1 16 16 MET CA C 16 57.116 57.116 58.097 -0.981 25827 8100 1 20 . 1 1 16 16 MET CB C 16 34.852 34.852 33.678 1.174 25827 8101 1 20 . 1 1 16 16 MET H H 16 8.925 8.925 8.844 0.081 25827 8102 1 20 . 1 1 17 17 THR C C 17 174.700 174.700 173.126 1.574 25827 8103 1 20 . 1 1 17 17 THR CA C 17 62.736 62.736 61.365 1.371 25827 8104 1 20 . 1 1 17 17 THR CB C 17 64.427 64.427 70.324 -5.897 25827 8105 1 20 . 1 1 18 18 CYS N N 18 120.513 120.513 123.204 -2.691 25827 8106 1 20 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.325 0.098 25827 8107 1 20 . 1 1 18 18 CYS C C 18 177.431 177.431 177.444 -0.013 25827 8108 1 20 . 1 1 18 18 CYS CA C 18 55.507 55.507 60.988 -5.481 25827 8109 1 20 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.841 14.423 25827 8110 1 20 . 1 1 18 18 CYS H H 18 8.691 8.691 8.764 -0.073 25827 8111 1 20 . 1 1 19 19 GLN N N 19 121.231 121.231 120.675 0.556 25827 8112 1 20 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.954 0.384 25827 8113 1 20 . 1 1 19 19 GLN C C 19 175.832 175.832 177.196 -1.364 25827 8114 1 20 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.579 -2.996 25827 8115 1 20 . 1 1 19 19 GLN CB C 19 30.678 30.678 28.379 2.299 25827 8116 1 20 . 1 1 19 19 GLN H H 19 8.342 8.342 8.182 0.160 25827 8117 1 20 . 1 1 20 20 SER N N 20 116.089 116.089 114.329 1.760 25827 8118 1 20 . 1 1 20 20 SER HA H 20 4.381 4.381 4.170 0.211 25827 8119 1 20 . 1 1 20 20 SER C C 20 177.004 177.004 176.215 0.789 25827 8120 1 20 . 1 1 20 20 SER H H 20 7.953 7.953 8.359 -0.406 25827 8121 1 20 . 1 1 21 21 CYS N N 21 125.147 125.147 118.525 6.622 25827 8122 1 20 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.275 0.807 25827 8123 1 20 . 1 1 21 21 CYS C C 21 177.004 177.004 176.217 0.787 25827 8124 1 20 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.238 2.924 25827 8125 1 20 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.869 2.985 25827 8126 1 20 . 1 1 21 21 CYS H H 21 7.854 7.854 7.217 0.637 25827 8127 1 20 . 1 1 22 22 VAL N N 22 118.062 118.062 122.412 -4.350 25827 8128 1 20 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.633 0.719 25827 8129 1 20 . 1 1 22 22 VAL C C 22 177.178 177.178 177.235 -0.057 25827 8130 1 20 . 1 1 22 22 VAL CA C 22 66.545 66.545 65.316 1.229 25827 8131 1 20 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.536 0.194 25827 8132 1 20 . 1 1 22 22 VAL H H 22 6.834 6.834 8.426 -1.592 25827 8133 1 20 . 1 1 23 23 LYS N N 23 117.823 117.823 120.310 -2.487 25827 8134 1 20 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.884 0.198 25827 8135 1 20 . 1 1 23 23 LYS C C 23 178.456 178.456 178.514 -0.058 25827 8136 1 20 . 1 1 23 23 LYS CA C 23 58.794 58.794 60.078 -1.284 25827 8137 1 20 . 1 1 23 23 LYS CB C 23 32.439 32.439 31.989 0.450 25827 8138 1 20 . 1 1 23 23 LYS H H 23 7.936 7.936 7.844 0.092 25827 8139 1 20 . 1 1 24 24 SER N N 24 113.895 113.895 115.234 -1.339 25827 8140 1 20 . 1 1 24 24 SER HA H 24 4.068 4.068 4.234 -0.166 25827 8141 1 20 . 1 1 24 24 SER C C 24 177.364 177.364 176.623 0.741 25827 8142 1 20 . 1 1 24 24 SER CA C 24 62.017 62.017 61.686 0.331 25827 8143 1 20 . 1 1 24 24 SER CB C 24 62.600 62.600 62.889 -0.289 25827 8144 1 20 . 1 1 24 24 SER H H 24 8.062 8.062 7.497 0.565 25827 8145 1 20 . 1 1 25 25 ILE N N 25 122.845 122.845 122.049 0.796 25827 8146 1 20 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.824 -0.282 25827 8147 1 20 . 1 1 25 25 ILE C C 25 177.537 177.537 177.045 0.492 25827 8148 1 20 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.972 2.040 25827 8149 1 20 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.929 0.862 25827 8150 1 20 . 1 1 25 25 ILE H H 25 7.888 7.888 7.768 0.120 25827 8151 1 20 . 1 1 26 26 GLU N N 26 118.630 118.630 122.301 -3.671 25827 8152 1 20 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.938 -0.310 25827 8153 1 20 . 1 1 26 26 GLU C C 26 180.041 180.041 178.863 1.178 25827 8154 1 20 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.777 1.401 25827 8155 1 20 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.036 0.565 25827 8156 1 20 . 1 1 26 26 GLU H H 26 8.519 8.519 8.192 0.327 25827 8157 1 20 . 1 1 27 27 ASP N N 27 119.676 119.676 119.109 0.567 25827 8158 1 20 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.384 -0.046 25827 8159 1 20 . 1 1 27 27 ASP C C 27 178.070 178.070 178.872 -0.802 25827 8160 1 20 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.601 -0.072 25827 8161 1 20 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.539 -0.116 25827 8162 1 20 . 1 1 27 27 ASP H H 27 8.973 8.973 7.924 1.049 25827 8163 1 20 . 1 1 28 28 ARG N N 28 118.092 118.092 118.923 -0.831 25827 8164 1 20 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.175 0.006 25827 8165 1 20 . 1 1 28 28 ARG C C 28 179.296 179.296 178.916 0.380 25827 8166 1 20 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.142 0.453 25827 8167 1 20 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.021 0.289 25827 8168 1 20 . 1 1 28 28 ARG H H 28 7.630 7.630 7.379 0.251 25827 8169 1 20 . 1 1 29 29 ILE N N 29 116.597 116.597 119.086 -2.489 25827 8170 1 20 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.914 0.033 25827 8171 1 20 . 1 1 29 29 ILE C C 29 177.777 177.777 176.791 0.986 25827 8172 1 20 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.023 -3.338 25827 8173 1 20 . 1 1 29 29 ILE CB C 29 35.278 35.278 38.145 -2.867 25827 8174 1 20 . 1 1 29 29 ILE H H 29 8.427 8.427 8.485 -0.058 25827 8175 1 20 . 1 1 30 30 SER N N 30 113.160 113.160 114.663 -1.503 25827 8176 1 20 . 1 1 30 30 SER HA H 30 4.049 4.049 4.244 -0.195 25827 8177 1 20 . 1 1 30 30 SER C C 30 173.941 173.941 175.902 -1.961 25827 8178 1 20 . 1 1 30 30 SER CA C 30 62.110 62.110 60.874 1.236 25827 8179 1 20 . 1 1 30 30 SER CB C 30 62.884 62.884 63.528 -0.644 25827 8180 1 20 . 1 1 30 30 SER H H 30 8.236 8.236 8.141 0.095 25827 8181 1 20 . 1 1 31 31 ASN N N 31 115.520 115.520 117.897 -2.377 25827 8182 1 20 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.592 0.182 25827 8183 1 20 . 1 1 31 31 ASN C C 31 175.046 175.046 175.327 -0.281 25827 8184 1 20 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.888 -1.341 25827 8185 1 20 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.942 1.055 25827 8186 1 20 . 1 1 31 31 ASN H H 31 6.919 6.919 7.790 -0.871 25827 8187 1 20 . 1 1 32 32 LEU N N 32 122.666 122.666 121.245 1.421 25827 8188 1 20 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.508 -0.172 25827 8189 1 20 . 1 1 32 32 LEU C C 32 177.071 177.071 175.490 1.581 25827 8190 1 20 . 1 1 32 32 LEU CA C 32 54.839 54.839 53.844 0.995 25827 8191 1 20 . 1 1 32 32 LEU CB C 32 41.807 41.807 43.056 -1.249 25827 8192 1 20 . 1 1 32 32 LEU H H 32 7.620 7.620 7.373 0.247 25827 8193 1 20 . 1 1 33 33 LYS N N 33 125.955 125.955 126.979 -1.024 25827 8194 1 20 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.086 -0.032 25827 8195 1 20 . 1 1 33 33 LYS C C 33 176.698 176.698 176.918 -0.220 25827 8196 1 20 . 1 1 33 33 LYS CA C 33 57.982 57.982 57.589 0.393 25827 8197 1 20 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.903 -0.961 25827 8198 1 20 . 1 1 33 33 LYS H H 33 8.451 8.451 8.593 -0.142 25827 8199 1 20 . 1 1 34 34 GLY N N 34 110.541 110.541 111.425 -0.884 25827 8200 1 20 . 1 1 34 34 GLY C C 34 173.381 173.381 172.184 1.197 25827 8201 1 20 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.425 1.119 25827 8202 1 20 . 1 1 34 34 GLY H H 34 8.616 8.616 8.523 0.093 25827 8203 1 20 . 1 1 35 35 ILE N N 35 119.258 119.258 119.824 -0.566 25827 8204 1 20 . 1 1 35 35 ILE HA H 35 4.272 4.272 3.921 0.351 25827 8205 1 20 . 1 1 35 35 ILE C C 35 176.352 176.352 174.739 1.613 25827 8206 1 20 . 1 1 35 35 ILE CA C 35 58.608 58.608 60.865 -2.257 25827 8207 1 20 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.753 -3.724 25827 8208 1 20 . 1 1 35 35 ILE H H 35 7.580 7.580 7.256 0.324 25827 8209 1 20 . 1 1 36 36 ILE N N 36 130.708 130.708 129.200 1.508 25827 8210 1 20 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.149 -0.068 25827 8211 1 20 . 1 1 36 36 ILE C C 36 176.298 176.298 176.236 0.062 25827 8212 1 20 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.704 -0.913 25827 8213 1 20 . 1 1 36 36 ILE CB C 36 38.152 38.152 39.105 -0.953 25827 8214 1 20 . 1 1 36 36 ILE H H 36 9.244 9.244 8.450 0.794 25827 8215 1 20 . 1 1 37 37 SER N N 37 111.336 111.336 112.134 -0.798 25827 8216 1 20 . 1 1 37 37 SER HA H 37 4.613 4.613 4.770 -0.157 25827 8217 1 20 . 1 1 37 37 SER C C 37 171.809 171.809 172.361 -0.552 25827 8218 1 20 . 1 1 37 37 SER CA C 37 57.636 57.636 57.829 -0.193 25827 8219 1 20 . 1 1 37 37 SER CB C 37 64.729 64.729 65.505 -0.776 25827 8220 1 20 . 1 1 37 37 SER H H 37 8.002 8.002 7.900 0.102 25827 8221 1 20 . 1 1 38 38 MET N N 38 123.742 123.742 116.267 7.475 25827 8222 1 20 . 1 1 38 38 MET HA H 38 5.006 5.006 5.423 -0.417 25827 8223 1 20 . 1 1 38 38 MET C C 38 172.755 172.755 174.449 -1.694 25827 8224 1 20 . 1 1 38 38 MET CA C 38 54.719 54.719 54.894 -0.175 25827 8225 1 20 . 1 1 38 38 MET CB C 38 35.562 35.562 37.264 -1.702 25827 8226 1 20 . 1 1 38 38 MET H H 38 8.651 8.651 8.291 0.360 25827 8227 1 20 . 1 1 39 39 LYS N N 39 126.343 126.343 121.893 4.450 25827 8228 1 20 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.765 0.189 25827 8229 1 20 . 1 1 39 39 LYS C C 39 175.872 175.872 174.629 1.243 25827 8230 1 20 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.411 -1.504 25827 8231 1 20 . 1 1 39 39 LYS CB C 39 34.604 34.604 36.038 -1.434 25827 8232 1 20 . 1 1 39 39 LYS H H 39 8.173 8.173 8.922 -0.749 25827 8233 1 20 . 1 1 40 40 VAL N N 40 131.217 131.217 122.212 9.005 25827 8234 1 20 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.245 0.022 25827 8235 1 20 . 1 1 40 40 VAL C C 40 174.327 174.327 175.209 -0.882 25827 8236 1 20 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.876 0.023 25827 8237 1 20 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.116 -0.499 25827 8238 1 20 . 1 1 40 40 VAL H H 40 10.339 10.339 8.440 1.899 25827 8239 1 20 . 1 1 41 41 SER N N 41 121.440 121.440 122.213 -0.773 25827 8240 1 20 . 1 1 41 41 SER HA H 41 4.878 4.878 4.836 0.042 25827 8241 1 20 . 1 1 41 41 SER C C 41 175.179 175.179 174.692 0.487 25827 8242 1 20 . 1 1 41 41 SER CA C 41 55.359 55.359 56.090 -0.731 25827 8243 1 20 . 1 1 41 41 SER CB C 41 63.381 63.381 63.223 0.158 25827 8244 1 20 . 1 1 41 41 SER H H 41 9.122 9.122 8.760 0.362 25827 8245 1 20 . 1 1 42 42 LEU N N 42 131.575 131.575 129.794 1.781 25827 8246 1 20 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.061 0.744 25827 8247 1 20 . 1 1 42 42 LEU C C 42 179.189 179.189 178.534 0.655 25827 8248 1 20 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.609 0.653 25827 8249 1 20 . 1 1 42 42 LEU CB C 42 41.913 41.913 41.913 0.000 25827 8250 1 20 . 1 1 42 42 LEU H H 42 9.139 9.139 8.863 0.276 25827 8251 1 20 . 1 1 43 43 GLU N N 43 117.524 117.524 118.695 -1.171 25827 8252 1 20 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.052 0.753 25827 8253 1 20 . 1 1 43 43 GLU C C 43 178.456 178.456 178.116 0.340 25827 8254 1 20 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.661 1.264 25827 8255 1 20 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.393 -0.076 25827 8256 1 20 . 1 1 43 43 GLU H H 43 9.041 9.041 8.341 0.700 25827 8257 1 20 . 1 1 44 44 GLN N N 44 113.278 113.278 115.827 -2.549 25827 8258 1 20 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.312 0.024 25827 8259 1 20 . 1 1 44 44 GLN C C 44 176.765 176.765 176.602 0.163 25827 8260 1 20 . 1 1 44 44 GLN CA C 44 55.545 55.545 55.730 -0.185 25827 8261 1 20 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.608 -0.007 25827 8262 1 20 . 1 1 44 44 GLN H H 44 7.651 7.651 7.614 0.037 25827 8263 1 20 . 1 1 45 45 GLY N N 45 110.453 110.453 109.185 1.268 25827 8264 1 20 . 1 1 45 45 GLY C C 45 174.487 174.487 173.481 1.006 25827 8265 1 20 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.862 1.480 25827 8266 1 20 . 1 1 45 45 GLY H H 45 7.884 7.884 7.926 -0.042 25827 8267 1 20 . 1 1 46 46 SER N N 46 111.130 111.130 112.921 -1.791 25827 8268 1 20 . 1 1 46 46 SER HA H 46 5.412 5.412 5.310 0.102 25827 8269 1 20 . 1 1 46 46 SER C C 46 171.503 171.503 172.176 -0.673 25827 8270 1 20 . 1 1 46 46 SER CA C 46 56.544 56.544 56.726 -0.182 25827 8271 1 20 . 1 1 46 46 SER CB C 46 66.327 66.327 66.588 -0.261 25827 8272 1 20 . 1 1 46 46 SER H H 46 7.807 7.807 7.948 -0.141 25827 8273 1 20 . 1 1 47 47 ALA N N 47 120.663 120.663 122.076 -1.413 25827 8274 1 20 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.029 0.266 25827 8275 1 20 . 1 1 47 47 ALA C C 47 175.806 175.806 176.079 -0.273 25827 8276 1 20 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.387 -0.035 25827 8277 1 20 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.451 2.500 25827 8278 1 20 . 1 1 47 47 ALA H H 47 9.349 9.349 9.096 0.253 25827 8279 1 20 . 1 1 48 48 THR N N 48 117.344 117.344 119.896 -2.552 25827 8280 1 20 . 1 1 48 48 THR HA H 48 4.880 4.880 5.136 -0.256 25827 8281 1 20 . 1 1 48 48 THR C C 48 173.847 173.847 173.751 0.096 25827 8282 1 20 . 1 1 48 48 THR CA C 48 62.163 62.163 62.067 0.096 25827 8283 1 20 . 1 1 48 48 THR CB C 48 69.698 69.698 69.170 0.528 25827 8284 1 20 . 1 1 48 48 THR H H 48 8.634 8.634 8.883 -0.249 25827 8285 1 20 . 1 1 49 49 VAL N N 49 129.782 129.782 128.329 1.453 25827 8286 1 20 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.319 0.539 25827 8287 1 20 . 1 1 49 49 VAL C C 49 173.208 173.208 174.085 -0.877 25827 8288 1 20 . 1 1 49 49 VAL CA C 49 59.860 59.860 61.505 -1.645 25827 8289 1 20 . 1 1 49 49 VAL CB C 49 34.852 34.852 33.636 1.216 25827 8290 1 20 . 1 1 49 49 VAL H H 49 9.400 9.400 9.302 0.098 25827 8291 1 20 . 1 1 50 50 LYS N N 50 128.107 128.107 128.206 -0.099 25827 8292 1 20 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.062 0.862 25827 8293 1 20 . 1 1 50 50 LYS C C 50 176.671 176.671 174.666 2.005 25827 8294 1 20 . 1 1 50 50 LYS CA C 50 55.052 55.052 55.138 -0.086 25827 8295 1 20 . 1 1 50 50 LYS CB C 50 34.355 34.355 33.787 0.568 25827 8296 1 20 . 1 1 50 50 LYS H H 50 8.997 8.997 9.007 -0.010 25827 8297 1 20 . 1 1 51 51 TYR N N 51 124.310 124.310 126.326 -2.016 25827 8298 1 20 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.992 0.559 25827 8299 1 20 . 1 1 51 51 TYR C C 51 171.343 171.343 173.374 -2.031 25827 8300 1 20 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.693 -1.201 25827 8301 1 20 . 1 1 51 51 TYR CB C 51 41.452 41.452 43.927 -2.475 25827 8302 1 20 . 1 1 51 51 TYR H H 51 9.478 9.478 9.183 0.295 25827 8303 1 20 . 1 1 52 52 VAL N N 52 122.068 122.068 122.624 -0.556 25827 8304 1 20 . 1 1 52 52 VAL HA H 52 4.720 4.720 5.016 -0.296 25827 8305 1 20 . 1 1 52 52 VAL C C 52 176.045 176.045 174.458 1.587 25827 8306 1 20 . 1 1 52 52 VAL CA C 52 59.580 59.580 58.677 0.903 25827 8307 1 20 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.409 1.279 25827 8308 1 20 . 1 1 52 52 VAL H H 52 8.702 8.702 7.825 0.877 25827 8309 1 20 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.755 -0.388 25827 8310 1 20 . 1 1 53 53 PRO C C 53 177.111 177.111 178.201 -1.090 25827 8311 1 20 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.185 -0.844 25827 8312 1 20 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.151 -0.211 25827 8313 1 20 . 1 1 54 54 SER N N 54 109.924 109.924 111.765 -1.841 25827 8314 1 20 . 1 1 54 54 SER HA H 54 4.345 4.345 4.241 0.104 25827 8315 1 20 . 1 1 54 54 SER C C 54 174.580 174.580 176.257 -1.677 25827 8316 1 20 . 1 1 54 54 SER CA C 54 59.726 59.726 60.399 -0.673 25827 8317 1 20 . 1 1 54 54 SER CB C 54 62.635 62.635 63.061 -0.426 25827 8318 1 20 . 1 1 54 54 SER H H 54 7.898 7.898 8.136 -0.238 25827 8319 1 20 . 1 1 55 55 VAL N N 55 121.919 121.919 120.606 1.313 25827 8320 1 20 . 1 1 55 55 VAL HA H 55 4.123 4.123 3.866 0.257 25827 8321 1 20 . 1 1 55 55 VAL C C 55 174.607 174.607 176.196 -1.589 25827 8322 1 20 . 1 1 55 55 VAL CA C 55 63.721 63.721 64.920 -1.199 25827 8323 1 20 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.571 1.997 25827 8324 1 20 . 1 1 55 55 VAL H H 55 8.163 8.163 7.511 0.652 25827 8325 1 20 . 1 1 56 56 VAL N N 56 121.380 121.380 110.777 10.603 25827 8326 1 20 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.612 -0.041 25827 8327 1 20 . 1 1 56 56 VAL C C 56 170.477 170.477 174.487 -4.010 25827 8328 1 20 . 1 1 56 56 VAL CA C 56 59.833 59.833 59.604 0.229 25827 8329 1 20 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.877 0.543 25827 8330 1 20 . 1 1 56 56 VAL H H 56 8.254 8.254 7.729 0.525 25827 8331 1 20 . 1 1 57 57 CYS N N 57 121.201 121.201 119.690 1.511 25827 8332 1 20 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.655 0.449 25827 8333 1 20 . 1 1 57 57 CYS C C 57 176.591 176.591 176.422 0.169 25827 8334 1 20 . 1 1 57 57 CYS CA C 57 55.625 55.625 57.727 -2.103 25827 8335 1 20 . 1 1 57 57 CYS CB C 57 30.878 30.878 29.302 1.576 25827 8336 1 20 . 1 1 57 57 CYS H H 57 7.885 7.885 8.654 -0.769 25827 8337 1 20 . 1 1 58 58 LEU N N 58 125.028 125.028 123.598 1.430 25827 8338 1 20 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.820 -0.192 25827 8339 1 20 . 1 1 58 58 LEU C C 58 179.335 179.335 178.734 0.601 25827 8340 1 20 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.257 0.148 25827 8341 1 20 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.556 -0.248 25827 8342 1 20 . 1 1 58 58 LEU H H 58 8.555 8.555 8.482 0.073 25827 8343 1 20 . 1 1 59 59 GLN N N 59 120.812 120.812 118.728 2.084 25827 8344 1 20 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.727 0.242 25827 8345 1 20 . 1 1 59 59 GLN C C 59 178.629 178.629 178.118 0.511 25827 8346 1 20 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.142 0.611 25827 8347 1 20 . 1 1 59 59 GLN CB C 59 27.888 27.888 28.002 -0.114 25827 8348 1 20 . 1 1 59 59 GLN H H 59 9.081 9.081 8.598 0.483 25827 8349 1 20 . 1 1 60 60 GLN N N 60 120.513 120.513 118.574 1.939 25827 8350 1 20 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.043 0.118 25827 8351 1 20 . 1 1 60 60 GLN C C 60 179.002 179.002 178.443 0.559 25827 8352 1 20 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.730 0.157 25827 8353 1 20 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.775 -0.026 25827 8354 1 20 . 1 1 60 60 GLN H H 60 7.793 7.793 7.459 0.334 25827 8355 1 20 . 1 1 61 61 VAL N N 61 119.886 119.886 119.443 0.443 25827 8356 1 20 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.631 -0.337 25827 8357 1 20 . 1 1 61 61 VAL C C 61 177.564 177.564 177.725 -0.161 25827 8358 1 20 . 1 1 61 61 VAL CA C 61 67.104 67.104 66.058 1.046 25827 8359 1 20 . 1 1 61 61 VAL CB C 61 31.233 31.233 30.728 0.505 25827 8360 1 20 . 1 1 61 61 VAL H H 61 7.359 7.359 7.255 0.104 25827 8361 1 20 . 1 1 62 62 CYS N N 62 116.059 116.059 119.011 -2.952 25827 8362 1 20 . 1 1 62 62 CYS HA H 62 3.804 3.804 3.988 -0.184 25827 8363 1 20 . 1 1 62 62 CYS C C 62 177.630 177.630 176.995 0.635 25827 8364 1 20 . 1 1 62 62 CYS CA C 62 64.667 64.667 62.510 2.157 25827 8365 1 20 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.499 0.014 25827 8366 1 20 . 1 1 62 62 CYS H H 62 8.034 8.034 8.121 -0.087 25827 8367 1 20 . 1 1 63 63 HIS N N 63 121.440 121.440 118.852 2.588 25827 8368 1 20 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.166 0.257 25827 8369 1 20 . 1 1 63 63 HIS C C 63 178.097 178.097 177.799 0.298 25827 8370 1 20 . 1 1 63 63 HIS CA C 63 59.340 59.340 59.107 0.233 25827 8371 1 20 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.716 0.665 25827 8372 1 20 . 1 1 63 63 HIS H H 63 8.430 8.430 8.081 0.349 25827 8373 1 20 . 1 1 64 64 GLN N N 64 118.839 118.839 118.191 0.648 25827 8374 1 20 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.080 -0.053 25827 8375 1 20 . 1 1 64 64 GLN C C 64 178.536 178.536 178.387 0.149 25827 8376 1 20 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.649 0.691 25827 8377 1 20 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.202 -0.092 25827 8378 1 20 . 1 1 64 64 GLN H H 64 8.102 8.102 8.027 0.075 25827 8379 1 20 . 1 1 65 65 ILE N N 65 119.228 119.228 119.642 -0.414 25827 8380 1 20 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.113 -0.428 25827 8381 1 20 . 1 1 65 65 ILE C C 65 178.656 178.656 177.696 0.960 25827 8382 1 20 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.292 2.760 25827 8383 1 20 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.086 0.279 25827 8384 1 20 . 1 1 65 65 ILE H H 65 7.858 7.858 7.439 0.419 25827 8385 1 20 . 1 1 66 66 GLY N N 66 109.453 109.453 108.293 1.160 25827 8386 1 20 . 1 1 66 66 GLY C C 66 178.643 178.643 176.550 2.093 25827 8387 1 20 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.413 -0.310 25827 8388 1 20 . 1 1 66 66 GLY H H 66 8.379 8.379 8.327 0.052 25827 8389 1 20 . 1 1 67 67 ASP N N 67 123.114 123.114 121.961 1.153 25827 8390 1 20 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.525 -0.061 25827 8391 1 20 . 1 1 67 67 ASP C C 67 177.497 177.497 177.559 -0.062 25827 8392 1 20 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.584 -0.028 25827 8393 1 20 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.753 0.344 25827 8394 1 20 . 1 1 67 67 ASP H H 67 8.091 8.091 8.586 -0.495 25827 8395 1 20 . 1 1 68 68 MET N N 68 115.939 115.939 116.702 -0.763 25827 8396 1 20 . 1 1 68 68 MET HA H 68 4.297 4.297 4.513 -0.216 25827 8397 1 20 . 1 1 68 68 MET C C 68 175.739 175.739 176.799 -1.060 25827 8398 1 20 . 1 1 68 68 MET CA C 68 56.490 56.490 54.616 1.874 25827 8399 1 20 . 1 1 68 68 MET CB C 68 34.355 34.355 32.282 2.073 25827 8400 1 20 . 1 1 68 68 MET H H 68 7.576 7.576 7.427 0.149 25827 8401 1 20 . 1 1 69 69 GLY N N 69 104.775 104.775 107.724 -2.949 25827 8402 1 20 . 1 1 69 69 GLY C C 69 173.328 173.328 173.719 -0.391 25827 8403 1 20 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.978 -0.193 25827 8404 1 20 . 1 1 69 69 GLY H H 69 7.880 7.880 7.782 0.098 25827 8405 1 20 . 1 1 70 70 PHE N N 70 118.809 118.809 119.672 -0.863 25827 8406 1 20 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.710 0.202 25827 8407 1 20 . 1 1 70 70 PHE C C 70 173.768 173.768 174.344 -0.576 25827 8408 1 20 . 1 1 70 70 PHE CA C 70 56.158 56.158 56.913 -0.755 25827 8409 1 20 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.123 -0.487 25827 8410 1 20 . 1 1 70 70 PHE H H 70 6.905 6.905 7.552 -0.647 25827 8411 1 20 . 1 1 71 71 GLU N N 71 119.497 119.497 121.738 -2.241 25827 8412 1 20 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.678 -0.097 25827 8413 1 20 . 1 1 71 71 GLU C C 71 174.993 174.993 175.155 -0.162 25827 8414 1 20 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.844 0.368 25827 8415 1 20 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.331 0.045 25827 8416 1 20 . 1 1 71 71 GLU H H 71 8.081 8.081 8.855 -0.774 25827 8417 1 20 . 1 1 72 72 ALA N N 72 129.662 129.662 125.931 3.731 25827 8418 1 20 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.461 0.374 25827 8419 1 20 . 1 1 72 72 ALA C C 72 176.179 176.179 176.017 0.162 25827 8420 1 20 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.834 -0.842 25827 8421 1 20 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.223 0.742 25827 8422 1 20 . 1 1 72 72 ALA H H 72 8.925 8.925 8.330 0.595 25827 8423 1 20 . 1 1 73 73 SER N N 73 114.042 114.042 115.565 -1.523 25827 8424 1 20 . 1 1 73 73 SER HA H 73 4.716 4.716 4.781 -0.065 25827 8425 1 20 . 1 1 73 73 SER C C 73 172.675 172.675 173.401 -0.726 25827 8426 1 20 . 1 1 73 73 SER CA C 73 57.156 57.156 57.197 -0.041 25827 8427 1 20 . 1 1 73 73 SER CB C 73 65.581 65.581 65.715 -0.134 25827 8428 1 20 . 1 1 73 73 SER H H 73 8.794 8.794 8.253 0.541 25827 8429 1 20 . 1 1 74 74 ILE N N 74 122.487 122.487 126.534 -4.047 25827 8430 1 20 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.439 -0.463 25827 8431 1 20 . 1 1 74 74 ILE C C 74 176.045 176.045 175.566 0.479 25827 8432 1 20 . 1 1 74 74 ILE CA C 74 62.576 62.576 61.306 1.270 25827 8433 1 20 . 1 1 74 74 ILE CB C 74 38.471 38.471 38.474 -0.003 25827 8434 1 20 . 1 1 74 74 ILE H H 74 8.813 8.813 8.624 0.189 25827 8435 1 20 . 1 1 75 75 ALA N N 75 131.516 131.516 130.677 0.839 25827 8436 1 20 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.758 -0.294 25827 8437 1 20 . 1 1 75 75 ALA C C 75 176.045 176.045 176.194 -0.149 25827 8438 1 20 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.194 2.035 25827 8439 1 20 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.123 -2.281 25827 8440 1 20 . 1 1 75 75 ALA H H 75 8.400 8.400 9.036 -0.636 25827 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 71 2.532 0.061 2.549 25827 2 1 1 "Average Difference" HA 77 0.330 -0.084 0.321 25827 3 1 1 "Average Difference" C 74 1.094 -0.012 1.101 25827 4 1 1 "Average Difference" CA 73 1.471 -0.018 1.481 25827 5 1 1 "Average Difference" CB 67 2.338 -0.496 2.302 25827 6 1 1 "Average Difference" HN 71 0.538 -0.086 0.534 25827 7 1 2 "Average Difference" N 71 2.959 -0.362 2.957 25827 8 1 2 "Average Difference" HA 77 0.360 -0.053 0.358 25827 9 1 2 "Average Difference" C 74 1.162 -0.067 1.168 25827 10 1 2 "Average Difference" CA 73 1.517 -0.072 1.526 25827 11 1 2 "Average Difference" CB 67 2.371 -0.316 2.367 25827 12 1 2 "Average Difference" HN 71 0.493 -0.077 0.490 25827 13 1 3 "Average Difference" N 71 2.744 0.030 2.763 25827 14 1 3 "Average Difference" HA 77 0.379 -0.067 0.375 25827 15 1 3 "Average Difference" C 74 1.184 -0.151 1.182 25827 16 1 3 "Average Difference" CA 73 1.529 -0.054 1.538 25827 17 1 3 "Average Difference" CB 67 2.333 -0.443 2.308 25827 18 1 3 "Average Difference" HN 71 0.580 -0.119 0.571 25827 19 1 4 "Average Difference" N 71 2.827 -0.396 2.819 25827 20 1 4 "Average Difference" HA 77 0.304 -0.048 0.302 25827 21 1 4 "Average Difference" C 74 1.137 -0.068 1.142 25827 22 1 4 "Average Difference" CA 73 1.295 -0.151 1.295 25827 23 1 4 "Average Difference" CB 67 2.391 -0.332 2.385 25827 24 1 4 "Average Difference" HN 71 0.469 -0.034 0.471 25827 25 1 5 "Average Difference" N 71 2.596 0.126 2.612 25827 26 1 5 "Average Difference" HA 77 0.339 -0.057 0.337 25827 27 1 5 "Average Difference" C 74 1.137 -0.135 1.136 25827 28 1 5 "Average Difference" CA 73 1.448 -0.117 1.454 25827 29 1 5 "Average Difference" CB 67 2.342 -0.308 2.339 25827 30 1 5 "Average Difference" HN 71 0.523 -0.102 0.517 25827 31 1 6 "Average Difference" N 71 3.030 -0.343 3.032 25827 32 1 6 "Average Difference" HA 77 0.371 -0.029 0.372 25827 33 1 6 "Average Difference" C 74 1.026 -0.107 1.027 25827 34 1 6 "Average Difference" CA 73 1.444 -0.086 1.451 25827 35 1 6 "Average Difference" CB 67 2.403 -0.468 2.375 25827 36 1 6 "Average Difference" HN 71 0.514 -0.090 0.509 25827 37 1 7 "Average Difference" N 71 2.852 -0.459 2.835 25827 38 1 7 "Average Difference" HA 77 0.355 -0.020 0.357 25827 39 1 7 "Average Difference" C 74 1.107 -0.082 1.111 25827 40 1 7 "Average Difference" CA 73 1.630 -0.236 1.624 25827 41 1 7 "Average Difference" CB 67 2.314 -0.318 2.309 25827 42 1 7 "Average Difference" HN 71 0.464 -0.089 0.459 25827 43 1 8 "Average Difference" N 71 3.102 -0.175 3.120 25827 44 1 8 "Average Difference" HA 77 0.335 -0.056 0.332 25827 45 1 8 "Average Difference" C 74 1.063 -0.165 1.057 25827 46 1 8 "Average Difference" CA 73 1.526 -0.223 1.520 25827 47 1 8 "Average Difference" CB 67 2.489 -0.301 2.490 25827 48 1 8 "Average Difference" HN 71 0.488 -0.087 0.484 25827 49 1 9 "Average Difference" N 71 2.979 -0.553 2.948 25827 50 1 9 "Average Difference" HA 77 0.351 -0.032 0.352 25827 51 1 9 "Average Difference" C 74 1.143 0.013 1.150 25827 52 1 9 "Average Difference" CA 73 1.501 -0.175 1.501 25827 53 1 9 "Average Difference" CB 67 2.424 -0.323 2.421 25827 54 1 9 "Average Difference" HN 71 0.513 -0.101 0.506 25827 55 1 10 "Average Difference" N 71 2.944 -0.182 2.960 25827 56 1 10 "Average Difference" HA 77 0.358 -0.044 0.357 25827 57 1 10 "Average Difference" C 74 1.092 -0.131 1.091 25827 58 1 10 "Average Difference" CA 73 1.558 -0.146 1.562 25827 59 1 10 "Average Difference" CB 67 2.353 -0.197 2.363 25827 60 1 10 "Average Difference" HN 71 0.490 -0.096 0.484 25827 61 1 11 "Average Difference" N 71 3.055 -0.392 3.051 25827 62 1 11 "Average Difference" HA 77 0.344 -0.066 0.340 25827 63 1 11 "Average Difference" C 74 1.149 -0.129 1.149 25827 64 1 11 "Average Difference" CA 73 1.622 -0.089 1.631 25827 65 1 11 "Average Difference" CB 67 2.483 -0.335 2.479 25827 66 1 11 "Average Difference" HN 71 0.499 -0.080 0.496 25827 67 1 12 "Average Difference" N 71 3.010 -0.308 3.015 25827 68 1 12 "Average Difference" HA 77 0.316 -0.027 0.317 25827 69 1 12 "Average Difference" C 74 1.076 -0.163 1.071 25827 70 1 12 "Average Difference" CA 73 1.476 -0.252 1.464 25827 71 1 12 "Average Difference" CB 67 2.377 -0.307 2.375 25827 72 1 12 "Average Difference" HN 71 0.518 -0.057 0.518 25827 73 1 13 "Average Difference" N 71 2.982 -0.159 2.999 25827 74 1 13 "Average Difference" HA 77 0.361 -0.040 0.361 25827 75 1 13 "Average Difference" C 74 1.133 -0.053 1.139 25827 76 1 13 "Average Difference" CA 73 1.611 -0.175 1.612 25827 77 1 13 "Average Difference" CB 67 2.392 -0.275 2.394 25827 78 1 13 "Average Difference" HN 71 0.499 -0.066 0.498 25827 79 1 14 "Average Difference" N 71 3.280 -0.376 3.282 25827 80 1 14 "Average Difference" HA 77 0.325 -0.051 0.323 25827 81 1 14 "Average Difference" C 74 1.040 -0.091 1.043 25827 82 1 14 "Average Difference" CA 73 1.626 -0.251 1.618 25827 83 1 14 "Average Difference" CB 67 2.464 -0.305 2.464 25827 84 1 14 "Average Difference" HN 71 0.485 -0.097 0.479 25827 85 1 15 "Average Difference" N 71 2.910 0.173 2.925 25827 86 1 15 "Average Difference" HA 77 0.337 -0.075 0.331 25827 87 1 15 "Average Difference" C 74 1.137 -0.072 1.142 25827 88 1 15 "Average Difference" CA 73 1.482 -0.094 1.489 25827 89 1 15 "Average Difference" CB 67 2.320 -0.304 2.318 25827 90 1 15 "Average Difference" HN 71 0.501 -0.065 0.500 25827 91 1 16 "Average Difference" N 71 3.356 -0.551 3.334 25827 92 1 16 "Average Difference" HA 77 0.353 -0.039 0.354 25827 93 1 16 "Average Difference" C 74 1.113 -0.060 1.119 25827 94 1 16 "Average Difference" CA 73 1.636 -0.176 1.638 25827 95 1 16 "Average Difference" CB 67 2.244 -0.292 2.241 25827 96 1 16 "Average Difference" HN 71 0.499 -0.092 0.493 25827 97 1 17 "Average Difference" N 71 3.013 -0.048 3.034 25827 98 1 17 "Average Difference" HA 77 0.295 -0.045 0.293 25827 99 1 17 "Average Difference" C 74 1.063 -0.108 1.065 25827 100 1 17 "Average Difference" CA 73 1.603 -0.115 1.610 25827 101 1 17 "Average Difference" CB 67 2.365 -0.419 2.346 25827 102 1 17 "Average Difference" HN 71 0.529 -0.097 0.524 25827 103 1 18 "Average Difference" N 71 3.229 -0.340 3.234 25827 104 1 18 "Average Difference" HA 77 0.366 -0.055 0.364 25827 105 1 18 "Average Difference" C 74 1.219 -0.103 1.223 25827 106 1 18 "Average Difference" CA 73 1.694 -0.178 1.696 25827 107 1 18 "Average Difference" CB 67 2.379 -0.364 2.369 25827 108 1 18 "Average Difference" HN 71 0.536 -0.148 0.519 25827 109 1 19 "Average Difference" N 71 2.936 -0.081 2.956 25827 110 1 19 "Average Difference" HA 77 0.381 -0.039 0.381 25827 111 1 19 "Average Difference" C 74 1.146 -0.132 1.146 25827 112 1 19 "Average Difference" CA 73 1.544 -0.157 1.547 25827 113 1 19 "Average Difference" CB 67 2.431 -0.348 2.424 25827 114 1 19 "Average Difference" HN 71 0.474 -0.049 0.475 25827 115 1 20 "Average Difference" N 71 2.889 -0.270 2.896 25827 116 1 20 "Average Difference" HA 77 0.341 -0.076 0.334 25827 117 1 20 "Average Difference" C 74 1.072 -0.135 1.071 25827 118 1 20 "Average Difference" CA 73 1.421 -0.138 1.424 25827 119 1 20 "Average Difference" CB 67 2.376 -0.298 2.375 25827 120 1 20 "Average Difference" HN 71 0.515 -0.101 0.508 25827 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 25827 _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 GLY N N 2 109.659 109.659 108.843 0.816 25827 2 1 . 1 1 2 2 GLY C C 2 174.061 174.061 173.867 0.195 25827 3 1 . 1 1 2 2 GLY CA C 2 45.651 45.651 45.095 0.556 25827 4 1 . 1 1 2 2 GLY H H 2 8.539 8.539 8.376 0.163 25827 5 1 . 1 1 3 3 HIS N N 3 120.603 120.603 120.246 0.357 25827 6 1 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.600 -0.191 25827 7 1 . 1 1 3 3 HIS C C 3 176.072 176.072 175.163 0.909 25827 8 1 . 1 1 3 3 HIS CA C 3 56.011 56.011 55.780 0.231 25827 9 1 . 1 1 3 3 HIS CB C 3 33.362 33.362 30.605 2.757 25827 10 1 . 1 1 3 3 HIS H H 3 8.030 8.030 8.303 -0.273 25827 11 1 . 1 1 4 4 MET N N 4 124.310 124.310 122.451 1.859 25827 12 1 . 1 1 4 4 MET C C 4 176.179 176.179 176.092 0.087 25827 13 1 . 1 1 4 4 MET CA C 4 61.071 61.071 55.723 5.348 25827 14 1 . 1 1 4 4 MET CB C 4 38.720 38.720 32.730 5.990 25827 15 1 . 1 1 4 4 MET H H 4 8.410 8.410 8.555 -0.145 25827 16 1 . 1 1 5 5 GLN HA H 5 4.296 4.296 4.334 -0.038 25827 17 1 . 1 1 5 5 GLN C C 5 174.687 174.687 174.867 -0.180 25827 18 1 . 1 1 5 5 GLN CA C 5 56.218 56.218 56.296 -0.078 25827 19 1 . 1 1 5 5 GLN CB C 5 29.561 29.561 29.316 0.245 25827 20 1 . 1 1 6 6 VAL N N 6 120.095 120.095 119.055 1.040 25827 21 1 . 1 1 6 6 VAL HA H 6 4.347 4.347 4.371 -0.024 25827 22 1 . 1 1 6 6 VAL C C 6 174.807 174.807 174.364 0.443 25827 23 1 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.618 0.800 25827 24 1 . 1 1 6 6 VAL CB C 6 34.320 34.320 33.419 0.901 25827 25 1 . 1 1 6 6 VAL H H 6 7.942 7.942 7.921 0.021 25827 26 1 . 1 1 7 7 ALA N N 7 130.230 130.230 129.517 0.713 25827 27 1 . 1 1 7 7 ALA HA H 7 4.635 4.635 4.812 -0.177 25827 28 1 . 1 1 7 7 ALA C C 7 174.913 174.913 175.678 -0.765 25827 29 1 . 1 1 7 7 ALA CA C 7 50.684 50.684 50.712 -0.028 25827 30 1 . 1 1 7 7 ALA CB C 7 21.637 21.637 21.392 0.245 25827 31 1 . 1 1 7 7 ALA H H 7 8.952 8.952 8.594 0.358 25827 32 1 . 1 1 8 8 THR N N 8 114.219 114.219 113.747 0.472 25827 33 1 . 1 1 8 8 THR HA H 8 5.594 5.594 5.489 0.105 25827 34 1 . 1 1 8 8 THR C C 8 174.846 174.846 174.036 0.810 25827 35 1 . 1 1 8 8 THR CA C 8 61.524 61.524 59.686 1.838 25827 36 1 . 1 1 8 8 THR CB C 8 71.228 71.228 70.985 0.243 25827 37 1 . 1 1 8 8 THR H H 8 8.211 8.211 8.268 -0.057 25827 38 1 . 1 1 9 9 SER N N 9 121.231 121.231 118.604 2.627 25827 39 1 . 1 1 9 9 SER HA H 9 5.049 5.049 4.943 0.106 25827 40 1 . 1 1 9 9 SER C C 9 172.023 172.023 172.831 -0.808 25827 41 1 . 1 1 9 9 SER CA C 9 57.822 57.822 57.618 0.204 25827 42 1 . 1 1 9 9 SER CB C 9 67.178 67.178 65.831 1.347 25827 43 1 . 1 1 9 9 SER H H 9 9.329 9.329 8.655 0.674 25827 44 1 . 1 1 10 10 THR N N 10 119.646 119.646 116.351 3.295 25827 45 1 . 1 1 10 10 THR HA H 10 5.423 5.423 5.488 -0.065 25827 46 1 . 1 1 10 10 THR C C 10 173.754 173.754 173.527 0.227 25827 47 1 . 1 1 10 10 THR CA C 10 61.591 61.591 60.131 1.460 25827 48 1 . 1 1 10 10 THR CB C 10 70.230 70.230 70.815 -0.585 25827 49 1 . 1 1 10 10 THR H H 10 8.790 8.790 8.885 -0.095 25827 50 1 . 1 1 11 11 VAL N N 11 122.726 122.726 123.488 -0.762 25827 51 1 . 1 1 11 11 VAL HA H 11 4.688 4.688 5.156 -0.468 25827 52 1 . 1 1 11 11 VAL C C 11 174.940 174.940 174.308 0.632 25827 53 1 . 1 1 11 11 VAL CA C 11 59.487 59.487 59.609 -0.122 25827 54 1 . 1 1 11 11 VAL CB C 11 35.207 35.207 35.008 0.199 25827 55 1 . 1 1 11 11 VAL H H 11 8.973 8.973 9.079 -0.106 25827 56 1 . 1 1 12 12 ARG N N 12 127.240 127.240 127.116 0.124 25827 57 1 . 1 1 12 12 ARG HA H 12 4.551 4.551 4.934 -0.383 25827 58 1 . 1 1 12 12 ARG C C 12 175.632 175.632 175.132 0.500 25827 59 1 . 1 1 12 12 ARG CA C 12 55.731 55.731 54.757 0.974 25827 60 1 . 1 1 12 12 ARG CB C 12 31.020 31.020 31.995 -0.975 25827 61 1 . 1 1 12 12 ARG H H 12 9.274 9.274 8.996 0.278 25827 62 1 . 1 1 13 13 ILE N N 13 123.234 123.234 120.678 2.556 25827 63 1 . 1 1 13 13 ILE HA H 13 4.741 4.741 4.766 -0.025 25827 64 1 . 1 1 13 13 ILE C C 13 174.540 174.540 174.572 -0.032 25827 65 1 . 1 1 13 13 ILE CA C 13 60.978 60.978 59.963 1.015 25827 66 1 . 1 1 13 13 ILE CB C 13 41.487 41.487 40.331 1.156 25827 67 1 . 1 1 13 13 ILE H H 13 8.210 8.210 8.513 -0.303 25827 68 1 . 1 1 14 14 LEU N N 14 128.287 128.287 129.307 -1.020 25827 69 1 . 1 1 14 14 LEU HA H 14 4.765 4.765 4.819 -0.054 25827 70 1 . 1 1 14 14 LEU C C 14 177.391 177.391 174.735 2.656 25827 71 1 . 1 1 14 14 LEU CA C 14 54.107 54.107 53.967 0.140 25827 72 1 . 1 1 14 14 LEU CB C 14 43.616 43.616 44.980 -1.364 25827 73 1 . 1 1 14 14 LEU H H 14 9.146 9.146 9.057 0.089 25827 74 1 . 1 1 15 15 GLY N N 15 107.835 107.835 111.018 -3.183 25827 75 1 . 1 1 15 15 GLY C C 15 175.726 175.726 174.262 1.464 25827 76 1 . 1 1 15 15 GLY CA C 15 45.344 45.344 45.430 -0.086 25827 77 1 . 1 1 15 15 GLY H H 15 8.515 8.515 7.967 0.548 25827 78 1 . 1 1 16 16 MET N N 16 120.244 120.244 118.700 1.544 25827 79 1 . 1 1 16 16 MET HA H 16 4.699 4.699 4.418 0.281 25827 80 1 . 1 1 16 16 MET C C 16 177.404 177.404 176.619 0.785 25827 81 1 . 1 1 16 16 MET CA C 16 57.116 57.116 57.468 -0.352 25827 82 1 . 1 1 16 16 MET CB C 16 34.852 34.852 32.989 1.863 25827 83 1 . 1 1 16 16 MET H H 16 8.925 8.925 8.772 0.153 25827 84 1 . 1 1 17 17 THR C C 17 174.700 174.700 174.288 0.412 25827 85 1 . 1 1 17 17 THR CA C 17 62.736 62.736 60.803 1.933 25827 86 1 . 1 1 17 17 THR CB C 17 64.427 64.427 69.388 -4.961 25827 87 1 . 1 1 18 18 CYS N N 18 120.513 120.513 124.611 -4.098 25827 88 1 . 1 1 18 18 CYS HA H 18 4.423 4.423 4.103 0.320 25827 89 1 . 1 1 18 18 CYS C C 18 177.431 177.431 176.545 0.886 25827 90 1 . 1 1 18 18 CYS CA C 18 55.507 55.507 61.096 -5.589 25827 91 1 . 1 1 18 18 CYS CB C 18 42.264 42.264 27.782 14.482 25827 92 1 . 1 1 18 18 CYS H H 18 8.691 8.691 8.808 -0.117 25827 93 1 . 1 1 19 19 GLN N N 19 121.231 121.231 120.134 1.097 25827 94 1 . 1 1 19 19 GLN HA H 19 4.338 4.338 3.993 0.345 25827 95 1 . 1 1 19 19 GLN C C 19 175.832 175.832 177.655 -1.823 25827 96 1 . 1 1 19 19 GLN CA C 19 56.583 56.583 59.215 -2.632 25827 97 1 . 1 1 19 19 GLN CB C 19 30.678 30.678 27.900 2.778 25827 98 1 . 1 1 19 19 GLN H H 19 8.342 8.342 8.524 -0.182 25827 99 1 . 1 1 20 20 SER N N 20 116.089 116.089 115.497 0.592 25827 100 1 . 1 1 20 20 SER HA H 20 4.381 4.381 4.204 0.177 25827 101 1 . 1 1 20 20 SER C C 20 177.004 177.004 176.360 0.644 25827 102 1 . 1 1 20 20 SER H H 20 7.953 7.953 8.358 -0.405 25827 103 1 . 1 1 21 21 CYS N N 21 125.147 125.147 119.267 5.880 25827 104 1 . 1 1 21 21 CYS HA H 21 4.082 4.082 3.945 0.137 25827 105 1 . 1 1 21 21 CYS C C 21 177.004 177.004 176.479 0.525 25827 106 1 . 1 1 21 21 CYS CA C 21 63.162 63.162 60.591 2.571 25827 107 1 . 1 1 21 21 CYS CB C 21 28.854 28.854 25.548 3.306 25827 108 1 . 1 1 21 21 CYS H H 21 7.854 7.854 7.251 0.603 25827 109 1 . 1 1 22 22 VAL N N 22 118.062 118.062 122.542 -4.480 25827 110 1 . 1 1 22 22 VAL HA H 22 4.352 4.352 3.516 0.836 25827 111 1 . 1 1 22 22 VAL C C 22 177.178 177.178 177.913 -0.735 25827 112 1 . 1 1 22 22 VAL CA C 22 66.545 66.545 66.854 -0.309 25827 113 1 . 1 1 22 22 VAL CB C 22 31.730 31.730 31.250 0.480 25827 114 1 . 1 1 22 22 VAL H H 22 6.834 6.834 7.982 -1.148 25827 115 1 . 1 1 23 23 LYS N N 23 117.823 117.823 120.044 -2.221 25827 116 1 . 1 1 23 23 LYS HA H 23 4.082 4.082 3.943 0.139 25827 117 1 . 1 1 23 23 LYS C C 23 178.456 178.456 178.930 -0.474 25827 118 1 . 1 1 23 23 LYS CA C 23 58.794 58.794 59.841 -1.047 25827 119 1 . 1 1 23 23 LYS CB C 23 32.439 32.439 32.100 0.339 25827 120 1 . 1 1 23 23 LYS H H 23 7.936 7.936 8.184 -0.248 25827 121 1 . 1 1 24 24 SER N N 24 113.895 113.895 115.542 -1.647 25827 122 1 . 1 1 24 24 SER HA H 24 4.068 4.068 4.199 -0.131 25827 123 1 . 1 1 24 24 SER C C 24 177.364 177.364 176.678 0.686 25827 124 1 . 1 1 24 24 SER CA C 24 62.017 62.017 62.033 -0.017 25827 125 1 . 1 1 24 24 SER CB C 24 62.600 62.600 63.003 -0.404 25827 126 1 . 1 1 24 24 SER H H 24 8.062 8.062 7.892 0.170 25827 127 1 . 1 1 25 25 ILE N N 25 122.845 122.845 121.319 1.526 25827 128 1 . 1 1 25 25 ILE HA H 25 3.542 3.542 3.814 -0.272 25827 129 1 . 1 1 25 25 ILE C C 25 177.537 177.537 176.878 0.659 25827 130 1 . 1 1 25 25 ILE CA C 25 66.012 66.012 63.810 2.202 25827 131 1 . 1 1 25 25 ILE CB C 25 38.791 38.791 37.827 0.964 25827 132 1 . 1 1 25 25 ILE H H 25 7.888 7.888 8.031 -0.143 25827 133 1 . 1 1 26 26 GLU N N 26 118.630 118.630 121.967 -3.337 25827 134 1 . 1 1 26 26 GLU HA H 26 3.628 3.628 3.927 -0.299 25827 135 1 . 1 1 26 26 GLU C C 26 180.041 180.041 178.664 1.377 25827 136 1 . 1 1 26 26 GLU CA C 26 61.178 61.178 59.749 1.429 25827 137 1 . 1 1 26 26 GLU CB C 26 29.601 29.601 29.245 0.356 25827 138 1 . 1 1 26 26 GLU H H 26 8.519 8.519 8.306 0.213 25827 139 1 . 1 1 27 27 ASP N N 27 119.676 119.676 119.627 0.049 25827 140 1 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.381 -0.043 25827 141 1 . 1 1 27 27 ASP C C 27 178.070 178.070 178.709 -0.639 25827 142 1 . 1 1 27 27 ASP CA C 27 57.529 57.529 57.419 0.110 25827 143 1 . 1 1 27 27 ASP CB C 27 40.423 40.423 40.804 -0.381 25827 144 1 . 1 1 27 27 ASP H H 27 8.973 8.973 8.047 0.926 25827 145 1 . 1 1 28 28 ARG N N 28 118.092 118.092 119.414 -1.322 25827 146 1 . 1 1 28 28 ARG HA H 28 4.181 4.181 4.119 0.062 25827 147 1 . 1 1 28 28 ARG C C 28 179.296 179.296 178.920 0.376 25827 148 1 . 1 1 28 28 ARG CA C 28 58.595 58.595 58.610 -0.015 25827 149 1 . 1 1 28 28 ARG CB C 28 30.310 30.310 30.087 0.223 25827 150 1 . 1 1 28 28 ARG H H 28 7.630 7.630 7.498 0.132 25827 151 1 . 1 1 29 29 ILE N N 29 116.597 116.597 119.383 -2.786 25827 152 1 . 1 1 29 29 ILE HA H 29 3.947 3.947 3.788 0.159 25827 153 1 . 1 1 29 29 ILE C C 29 177.777 177.777 177.284 0.493 25827 154 1 . 1 1 29 29 ILE CA C 29 60.685 60.685 64.206 -3.521 25827 155 1 . 1 1 29 29 ILE CB C 29 35.278 35.278 37.877 -2.599 25827 156 1 . 1 1 29 29 ILE H H 29 8.427 8.427 8.378 0.049 25827 157 1 . 1 1 30 30 SER N N 30 113.160 113.160 114.819 -1.659 25827 158 1 . 1 1 30 30 SER HA H 30 4.049 4.049 4.203 -0.154 25827 159 1 . 1 1 30 30 SER C C 30 173.941 173.941 175.823 -1.882 25827 160 1 . 1 1 30 30 SER CA C 30 62.110 62.110 61.236 0.874 25827 161 1 . 1 1 30 30 SER CB C 30 62.884 62.884 63.291 -0.407 25827 162 1 . 1 1 30 30 SER H H 30 8.236 8.236 8.206 0.030 25827 163 1 . 1 1 31 31 ASN N N 31 115.520 115.520 118.546 -3.026 25827 164 1 . 1 1 31 31 ASN HA H 31 4.774 4.774 4.623 0.151 25827 165 1 . 1 1 31 31 ASN C C 31 175.046 175.046 175.318 -0.272 25827 166 1 . 1 1 31 31 ASN CA C 31 53.547 53.547 54.340 -0.793 25827 167 1 . 1 1 31 31 ASN CB C 31 39.997 39.997 38.998 0.999 25827 168 1 . 1 1 31 31 ASN H H 31 6.919 6.919 7.770 -0.851 25827 169 1 . 1 1 32 32 LEU N N 32 122.666 122.666 121.223 1.443 25827 170 1 . 1 1 32 32 LEU HA H 32 4.336 4.336 4.376 -0.040 25827 171 1 . 1 1 32 32 LEU C C 32 177.071 177.071 175.956 1.115 25827 172 1 . 1 1 32 32 LEU CA C 32 54.839 54.839 54.535 0.304 25827 173 1 . 1 1 32 32 LEU CB C 32 41.807 41.807 42.594 -0.787 25827 174 1 . 1 1 32 32 LEU H H 32 7.620 7.620 7.253 0.367 25827 175 1 . 1 1 33 33 LYS N N 33 125.955 125.955 125.591 0.364 25827 176 1 . 1 1 33 33 LYS HA H 33 4.054 4.054 4.331 -0.277 25827 177 1 . 1 1 33 33 LYS C C 33 176.698 176.698 177.216 -0.518 25827 178 1 . 1 1 33 33 LYS CA C 33 57.982 57.982 56.713 1.269 25827 179 1 . 1 1 33 33 LYS CB C 33 31.942 31.942 32.950 -1.008 25827 180 1 . 1 1 33 33 LYS H H 33 8.451 8.451 8.539 -0.088 25827 181 1 . 1 1 34 34 GLY N N 34 110.541 110.541 109.527 1.014 25827 182 1 . 1 1 34 34 GLY C C 34 173.381 173.381 173.629 -0.248 25827 183 1 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.703 0.841 25827 184 1 . 1 1 34 34 GLY H H 34 8.616 8.616 8.669 -0.053 25827 185 1 . 1 1 35 35 ILE N N 35 119.258 119.258 119.127 0.131 25827 186 1 . 1 1 35 35 ILE HA H 35 4.272 4.272 4.345 -0.073 25827 187 1 . 1 1 35 35 ILE C C 35 176.352 176.352 175.131 1.221 25827 188 1 . 1 1 35 35 ILE CA C 35 58.608 58.608 61.334 -2.726 25827 189 1 . 1 1 35 35 ILE CB C 35 35.029 35.029 38.414 -3.385 25827 190 1 . 1 1 35 35 ILE H H 35 7.580 7.580 7.550 0.030 25827 191 1 . 1 1 36 36 ILE N N 36 130.708 130.708 128.375 2.333 25827 192 1 . 1 1 36 36 ILE HA H 36 4.081 4.081 4.215 -0.134 25827 193 1 . 1 1 36 36 ILE C C 36 176.298 176.298 176.341 -0.043 25827 194 1 . 1 1 36 36 ILE CA C 36 61.791 61.791 62.492 -0.701 25827 195 1 . 1 1 36 36 ILE CB C 36 38.152 38.152 38.819 -0.667 25827 196 1 . 1 1 36 36 ILE H H 36 9.244 9.244 8.582 0.662 25827 197 1 . 1 1 37 37 SER N N 37 111.336 111.336 112.429 -1.093 25827 198 1 . 1 1 37 37 SER HA H 37 4.613 4.613 4.700 -0.087 25827 199 1 . 1 1 37 37 SER C C 37 171.809 171.809 172.174 -0.365 25827 200 1 . 1 1 37 37 SER CA C 37 57.636 57.636 57.954 -0.318 25827 201 1 . 1 1 37 37 SER CB C 37 64.729 64.729 65.331 -0.602 25827 202 1 . 1 1 37 37 SER H H 37 8.002 8.002 7.879 0.123 25827 203 1 . 1 1 38 38 MET N N 38 123.742 123.742 121.522 2.220 25827 204 1 . 1 1 38 38 MET HA H 38 5.006 5.006 5.111 -0.105 25827 205 1 . 1 1 38 38 MET C C 38 172.755 172.755 174.417 -1.662 25827 206 1 . 1 1 38 38 MET CA C 38 54.719 54.719 54.918 -0.199 25827 207 1 . 1 1 38 38 MET CB C 38 35.562 35.562 36.460 -0.898 25827 208 1 . 1 1 38 38 MET H H 38 8.651 8.651 8.411 0.240 25827 209 1 . 1 1 39 39 LYS N N 39 126.343 126.343 124.956 1.387 25827 210 1 . 1 1 39 39 LYS HA H 39 4.954 4.954 4.741 0.213 25827 211 1 . 1 1 39 39 LYS C C 39 175.872 175.872 174.290 1.582 25827 212 1 . 1 1 39 39 LYS CA C 39 53.907 53.907 55.077 -1.170 25827 213 1 . 1 1 39 39 LYS CB C 39 34.604 34.604 35.937 -1.333 25827 214 1 . 1 1 39 39 LYS H H 39 8.173 8.173 8.956 -0.783 25827 215 1 . 1 1 40 40 VAL N N 40 131.217 131.217 123.782 7.435 25827 216 1 . 1 1 40 40 VAL HA H 40 4.267 4.267 4.310 -0.043 25827 217 1 . 1 1 40 40 VAL C C 40 174.327 174.327 174.837 -0.510 25827 218 1 . 1 1 40 40 VAL CA C 40 61.899 61.899 61.125 0.774 25827 219 1 . 1 1 40 40 VAL CB C 40 32.617 32.617 33.595 -0.978 25827 220 1 . 1 1 40 40 VAL H H 40 10.339 10.339 8.499 1.839 25827 221 1 . 1 1 41 41 SER N N 41 121.440 121.440 123.527 -2.087 25827 222 1 . 1 1 41 41 SER HA H 41 4.878 4.878 4.789 0.089 25827 223 1 . 1 1 41 41 SER C C 41 175.179 175.179 174.591 0.588 25827 224 1 . 1 1 41 41 SER CA C 41 55.359 55.359 56.702 -1.343 25827 225 1 . 1 1 41 41 SER CB C 41 63.381 63.381 63.415 -0.034 25827 226 1 . 1 1 41 41 SER H H 41 9.122 9.122 8.544 0.578 25827 227 1 . 1 1 42 42 LEU N N 42 131.575 131.575 127.808 3.767 25827 228 1 . 1 1 42 42 LEU HA H 42 4.805 4.805 4.003 0.802 25827 229 1 . 1 1 42 42 LEU C C 42 179.189 179.189 178.306 0.883 25827 230 1 . 1 1 42 42 LEU CA C 42 58.262 58.262 57.703 0.560 25827 231 1 . 1 1 42 42 LEU CB C 42 41.913 41.913 42.071 -0.159 25827 232 1 . 1 1 42 42 LEU H H 42 9.139 9.139 8.626 0.513 25827 233 1 . 1 1 43 43 GLU N N 43 117.524 117.524 118.119 -0.595 25827 234 1 . 1 1 43 43 GLU HA H 43 4.805 4.805 4.033 0.772 25827 235 1 . 1 1 43 43 GLU C C 43 178.456 178.456 178.044 0.412 25827 236 1 . 1 1 43 43 GLU CA C 43 59.926 59.926 58.645 1.281 25827 237 1 . 1 1 43 43 GLU CB C 43 29.317 29.317 29.020 0.297 25827 238 1 . 1 1 43 43 GLU H H 43 9.041 9.041 8.390 0.651 25827 239 1 . 1 1 44 44 GLN N N 44 113.278 113.278 117.265 -3.987 25827 240 1 . 1 1 44 44 GLN HA H 44 4.336 4.336 4.271 0.065 25827 241 1 . 1 1 44 44 GLN C C 44 176.765 176.765 176.956 -0.191 25827 242 1 . 1 1 44 44 GLN CA C 44 55.545 55.545 56.030 -0.485 25827 243 1 . 1 1 44 44 GLN CB C 44 29.601 29.601 29.390 0.211 25827 244 1 . 1 1 44 44 GLN H H 44 7.651 7.651 7.901 -0.250 25827 245 1 . 1 1 45 45 GLY N N 45 110.453 110.453 108.050 2.403 25827 246 1 . 1 1 45 45 GLY C C 45 174.487 174.487 173.476 1.011 25827 247 1 . 1 1 45 45 GLY CA C 45 47.342 47.342 45.578 1.764 25827 248 1 . 1 1 45 45 GLY H H 45 7.884 7.884 8.077 -0.193 25827 249 1 . 1 1 46 46 SER N N 46 111.130 111.130 114.283 -3.153 25827 250 1 . 1 1 46 46 SER HA H 46 5.412 5.412 5.455 -0.043 25827 251 1 . 1 1 46 46 SER C C 46 171.503 171.503 172.233 -0.730 25827 252 1 . 1 1 46 46 SER CA C 46 56.544 56.544 56.831 -0.287 25827 253 1 . 1 1 46 46 SER CB C 46 66.327 66.327 66.360 -0.033 25827 254 1 . 1 1 46 46 SER H H 46 7.807 7.807 7.619 0.188 25827 255 1 . 1 1 47 47 ALA N N 47 120.663 120.663 123.399 -2.736 25827 256 1 . 1 1 47 47 ALA HA H 47 5.295 5.295 5.015 0.280 25827 257 1 . 1 1 47 47 ALA C C 47 175.806 175.806 175.880 -0.074 25827 258 1 . 1 1 47 47 ALA CA C 47 50.352 50.352 50.405 -0.053 25827 259 1 . 1 1 47 47 ALA CB C 47 24.951 24.951 22.254 2.697 25827 260 1 . 1 1 47 47 ALA H H 47 9.349 9.349 9.041 0.308 25827 261 1 . 1 1 48 48 THR N N 48 117.344 117.344 119.506 -2.162 25827 262 1 . 1 1 48 48 THR HA H 48 4.880 4.880 5.162 -0.282 25827 263 1 . 1 1 48 48 THR C C 48 173.847 173.847 173.779 0.068 25827 264 1 . 1 1 48 48 THR CA C 48 62.163 62.163 61.863 0.300 25827 265 1 . 1 1 48 48 THR CB C 48 69.698 69.698 69.862 -0.164 25827 266 1 . 1 1 48 48 THR H H 48 8.634 8.634 8.912 -0.278 25827 267 1 . 1 1 49 49 VAL N N 49 129.782 129.782 124.106 5.676 25827 268 1 . 1 1 49 49 VAL HA H 49 4.858 4.858 4.646 0.212 25827 269 1 . 1 1 49 49 VAL C C 49 173.208 173.208 173.666 -0.458 25827 270 1 . 1 1 49 49 VAL CA C 49 59.860 59.860 60.021 -0.161 25827 271 1 . 1 1 49 49 VAL CB C 49 34.852 34.852 34.331 0.521 25827 272 1 . 1 1 49 49 VAL H H 49 9.400 9.400 9.216 0.184 25827 273 1 . 1 1 50 50 LYS N N 50 128.107 128.107 126.484 1.623 25827 274 1 . 1 1 50 50 LYS HA H 50 5.924 5.924 5.183 0.741 25827 275 1 . 1 1 50 50 LYS C C 50 176.671 176.671 174.754 1.917 25827 276 1 . 1 1 50 50 LYS CA C 50 55.052 55.052 54.939 0.113 25827 277 1 . 1 1 50 50 LYS CB C 50 34.355 34.355 34.586 -0.231 25827 278 1 . 1 1 50 50 LYS H H 50 8.997 8.997 8.552 0.445 25827 279 1 . 1 1 51 51 TYR N N 51 124.310 124.310 122.582 1.728 25827 280 1 . 1 1 51 51 TYR HA H 51 5.551 5.551 4.956 0.595 25827 281 1 . 1 1 51 51 TYR C C 51 171.343 171.343 173.616 -2.273 25827 282 1 . 1 1 51 51 TYR CA C 51 55.492 55.492 56.570 -1.078 25827 283 1 . 1 1 51 51 TYR CB C 51 41.452 41.452 42.143 -0.691 25827 284 1 . 1 1 51 51 TYR H H 51 9.478 9.478 8.599 0.879 25827 285 1 . 1 1 52 52 VAL N N 52 122.068 122.068 121.363 0.705 25827 286 1 . 1 1 52 52 VAL HA H 52 4.720 4.720 4.552 0.168 25827 287 1 . 1 1 52 52 VAL C C 52 176.045 176.045 175.389 0.656 25827 288 1 . 1 1 52 52 VAL CA C 52 59.580 59.580 59.812 -0.232 25827 289 1 . 1 1 52 52 VAL CB C 52 32.688 32.688 31.592 1.096 25827 290 1 . 1 1 52 52 VAL H H 52 8.702 8.702 8.531 0.171 25827 291 1 . 1 1 53 53 PRO HA H 53 4.367 4.367 4.768 -0.401 25827 292 1 . 1 1 53 53 PRO C C 53 177.111 177.111 178.141 -1.030 25827 293 1 . 1 1 53 53 PRO CA C 53 64.341 64.341 65.117 -0.776 25827 294 1 . 1 1 53 53 PRO CB C 53 31.940 31.940 32.026 -0.086 25827 295 1 . 1 1 54 54 SER N N 54 109.924 109.924 113.137 -3.213 25827 296 1 . 1 1 54 54 SER HA H 54 4.345 4.345 4.303 0.042 25827 297 1 . 1 1 54 54 SER C C 54 174.580 174.580 175.727 -1.147 25827 298 1 . 1 1 54 54 SER CA C 54 59.726 59.726 60.675 -0.949 25827 299 1 . 1 1 54 54 SER CB C 54 62.635 62.635 63.060 -0.425 25827 300 1 . 1 1 54 54 SER H H 54 7.898 7.898 8.328 -0.430 25827 301 1 . 1 1 55 55 VAL N N 55 121.919 121.919 119.367 2.551 25827 302 1 . 1 1 55 55 VAL HA H 55 4.123 4.123 4.050 0.073 25827 303 1 . 1 1 55 55 VAL C C 55 174.607 174.607 176.078 -1.471 25827 304 1 . 1 1 55 55 VAL CA C 55 63.721 63.721 63.994 -0.273 25827 305 1 . 1 1 55 55 VAL CB C 55 34.568 34.568 32.951 1.617 25827 306 1 . 1 1 55 55 VAL H H 55 8.163 8.163 7.549 0.614 25827 307 1 . 1 1 56 56 VAL N N 56 121.380 121.380 117.117 4.263 25827 308 1 . 1 1 56 56 VAL HA H 56 4.571 4.571 4.481 0.090 25827 309 1 . 1 1 56 56 VAL C C 56 170.477 170.477 174.371 -3.894 25827 310 1 . 1 1 56 56 VAL CA C 56 59.833 59.833 60.299 -0.466 25827 311 1 . 1 1 56 56 VAL CB C 56 35.420 35.420 34.277 1.143 25827 312 1 . 1 1 56 56 VAL H H 56 8.254 8.254 8.150 0.104 25827 313 1 . 1 1 57 57 CYS N N 57 121.201 121.201 123.204 -2.004 25827 314 1 . 1 1 57 57 CYS HA H 57 5.104 5.104 4.815 0.289 25827 315 1 . 1 1 57 57 CYS C C 57 176.591 176.591 175.870 0.721 25827 316 1 . 1 1 57 57 CYS CA C 57 55.625 55.625 56.867 -1.242 25827 317 1 . 1 1 57 57 CYS CB C 57 30.878 30.878 29.870 1.008 25827 318 1 . 1 1 57 57 CYS H H 57 7.885 7.885 8.570 -0.685 25827 319 1 . 1 1 58 58 LEU N N 58 125.028 125.028 123.796 1.232 25827 320 1 . 1 1 58 58 LEU HA H 58 3.628 3.628 3.970 -0.342 25827 321 1 . 1 1 58 58 LEU C C 58 179.335 179.335 178.916 0.420 25827 322 1 . 1 1 58 58 LEU CA C 58 57.405 57.405 57.933 -0.528 25827 323 1 . 1 1 58 58 LEU CB C 58 41.308 41.308 41.654 -0.346 25827 324 1 . 1 1 58 58 LEU H H 58 8.555 8.555 8.726 -0.171 25827 325 1 . 1 1 59 59 GLN N N 59 120.812 120.812 117.757 3.055 25827 326 1 . 1 1 59 59 GLN HA H 59 3.969 3.969 3.919 0.050 25827 327 1 . 1 1 59 59 GLN C C 59 178.629 178.629 178.344 0.285 25827 328 1 . 1 1 59 59 GLN CA C 59 59.753 59.753 59.036 0.717 25827 329 1 . 1 1 59 59 GLN CB C 59 27.888 27.888 27.912 -0.024 25827 330 1 . 1 1 59 59 GLN H H 59 9.081 9.081 8.577 0.504 25827 331 1 . 1 1 60 60 GLN N N 60 120.513 120.513 119.007 1.506 25827 332 1 . 1 1 60 60 GLN HA H 60 4.161 4.161 4.058 0.103 25827 333 1 . 1 1 60 60 GLN C C 60 179.002 179.002 178.398 0.604 25827 334 1 . 1 1 60 60 GLN CA C 60 58.887 58.887 58.788 0.099 25827 335 1 . 1 1 60 60 GLN CB C 60 28.749 28.749 28.506 0.243 25827 336 1 . 1 1 60 60 GLN H H 60 7.793 7.793 7.588 0.205 25827 337 1 . 1 1 61 61 VAL N N 61 119.886 119.886 119.454 0.432 25827 338 1 . 1 1 61 61 VAL HA H 61 3.294 3.294 3.869 -0.575 25827 339 1 . 1 1 61 61 VAL C C 61 177.564 177.564 178.159 -0.595 25827 340 1 . 1 1 61 61 VAL CA C 61 67.104 67.104 65.963 1.141 25827 341 1 . 1 1 61 61 VAL CB C 61 31.233 31.233 31.278 -0.045 25827 342 1 . 1 1 61 61 VAL H H 61 7.359 7.359 7.521 -0.162 25827 343 1 . 1 1 62 62 CYS N N 62 116.059 116.059 118.612 -2.553 25827 344 1 . 1 1 62 62 CYS HA H 62 3.804 3.804 4.012 -0.208 25827 345 1 . 1 1 62 62 CYS C C 62 177.630 177.630 176.704 0.926 25827 346 1 . 1 1 62 62 CYS CA C 62 64.667 64.667 63.555 1.112 25827 347 1 . 1 1 62 62 CYS CB C 62 26.513 26.513 26.705 -0.192 25827 348 1 . 1 1 62 62 CYS H H 62 8.034 8.034 8.067 -0.033 25827 349 1 . 1 1 63 63 HIS N N 63 121.440 121.440 119.273 2.167 25827 350 1 . 1 1 63 63 HIS HA H 63 4.423 4.423 4.200 0.223 25827 351 1 . 1 1 63 63 HIS C C 63 178.097 178.097 177.672 0.425 25827 352 1 . 1 1 63 63 HIS CA C 63 59.340 59.340 59.845 -0.505 25827 353 1 . 1 1 63 63 HIS CB C 63 30.381 30.381 29.715 0.666 25827 354 1 . 1 1 63 63 HIS H H 63 8.430 8.430 8.143 0.287 25827 355 1 . 1 1 64 64 GLN N N 64 118.839 118.839 118.419 0.420 25827 356 1 . 1 1 64 64 GLN HA H 64 4.027 4.027 4.060 -0.033 25827 357 1 . 1 1 64 64 GLN C C 64 178.536 178.536 178.469 0.067 25827 358 1 . 1 1 64 64 GLN CA C 64 59.340 59.340 58.952 0.388 25827 359 1 . 1 1 64 64 GLN CB C 64 28.110 28.110 28.536 -0.426 25827 360 1 . 1 1 64 64 GLN H H 64 8.102 8.102 8.010 0.092 25827 361 1 . 1 1 65 65 ILE N N 65 119.228 119.228 119.066 0.162 25827 362 1 . 1 1 65 65 ILE HA H 65 3.685 3.685 4.021 -0.336 25827 363 1 . 1 1 65 65 ILE C C 65 178.656 178.656 177.516 1.140 25827 364 1 . 1 1 65 65 ILE CA C 65 66.052 66.052 63.253 2.798 25827 365 1 . 1 1 65 65 ILE CB C 65 38.365 38.365 38.130 0.235 25827 366 1 . 1 1 65 65 ILE H H 65 7.858 7.858 7.467 0.391 25827 367 1 . 1 1 66 66 GLY N N 66 109.453 109.453 108.059 1.394 25827 368 1 . 1 1 66 66 GLY C C 66 178.643 178.643 176.171 2.472 25827 369 1 . 1 1 66 66 GLY CA C 66 47.102 47.102 47.310 -0.208 25827 370 1 . 1 1 66 66 GLY H H 66 8.379 8.379 8.385 -0.006 25827 371 1 . 1 1 67 67 ASP N N 67 123.114 123.114 121.266 1.847 25827 372 1 . 1 1 67 67 ASP HA H 67 4.464 4.464 4.393 0.071 25827 373 1 . 1 1 67 67 ASP C C 67 177.497 177.497 177.595 -0.098 25827 374 1 . 1 1 67 67 ASP CA C 67 56.557 56.557 56.260 0.297 25827 375 1 . 1 1 67 67 ASP CB C 67 41.097 41.097 40.724 0.373 25827 376 1 . 1 1 67 67 ASP H H 67 8.091 8.091 8.264 -0.173 25827 377 1 . 1 1 68 68 MET N N 68 115.939 115.939 117.115 -1.176 25827 378 1 . 1 1 68 68 MET HA H 68 4.297 4.297 4.401 -0.104 25827 379 1 . 1 1 68 68 MET C C 68 175.739 175.739 176.998 -1.259 25827 380 1 . 1 1 68 68 MET CA C 68 56.490 56.490 55.417 1.073 25827 381 1 . 1 1 68 68 MET CB C 68 34.355 34.355 32.987 1.368 25827 382 1 . 1 1 68 68 MET H H 68 7.576 7.576 7.510 0.066 25827 383 1 . 1 1 69 69 GLY N N 69 104.775 104.775 106.278 -1.503 25827 384 1 . 1 1 69 69 GLY C C 69 173.328 173.328 173.845 -0.517 25827 385 1 . 1 1 69 69 GLY CA C 69 44.785 44.785 44.656 0.129 25827 386 1 . 1 1 69 69 GLY H H 69 7.880 7.880 7.724 0.157 25827 387 1 . 1 1 70 70 PHE N N 70 118.809 118.809 120.143 -1.334 25827 388 1 . 1 1 70 70 PHE HA H 70 4.912 4.912 4.700 0.212 25827 389 1 . 1 1 70 70 PHE C C 70 173.768 173.768 174.408 -0.640 25827 390 1 . 1 1 70 70 PHE CA C 70 56.158 56.158 57.104 -0.946 25827 391 1 . 1 1 70 70 PHE CB C 70 40.636 40.636 41.107 -0.471 25827 392 1 . 1 1 70 70 PHE H H 70 6.905 6.905 7.503 -0.598 25827 393 1 . 1 1 71 71 GLU N N 71 119.497 119.497 121.768 -2.271 25827 394 1 . 1 1 71 71 GLU HA H 71 4.581 4.581 4.636 -0.055 25827 395 1 . 1 1 71 71 GLU C C 71 174.993 174.993 174.785 0.208 25827 396 1 . 1 1 71 71 GLU CA C 71 56.212 56.212 55.649 0.563 25827 397 1 . 1 1 71 71 GLU CB C 71 31.375 31.375 31.901 -0.526 25827 398 1 . 1 1 71 71 GLU H H 71 8.081 8.081 8.476 -0.395 25827 399 1 . 1 1 72 72 ALA N N 72 129.662 129.662 126.836 2.826 25827 400 1 . 1 1 72 72 ALA HA H 72 5.835 5.835 5.404 0.431 25827 401 1 . 1 1 72 72 ALA C C 72 176.179 176.179 176.003 0.176 25827 402 1 . 1 1 72 72 ALA CA C 72 49.992 49.992 50.796 -0.804 25827 403 1 . 1 1 72 72 ALA CB C 72 22.964 22.964 22.269 0.695 25827 404 1 . 1 1 72 72 ALA H H 72 8.925 8.925 8.383 0.542 25827 405 1 . 1 1 73 73 SER N N 73 114.042 114.042 116.131 -2.089 25827 406 1 . 1 1 73 73 SER HA H 73 4.716 4.716 4.868 -0.152 25827 407 1 . 1 1 73 73 SER C C 73 172.675 172.675 173.398 -0.723 25827 408 1 . 1 1 73 73 SER CA C 73 57.156 57.156 56.933 0.223 25827 409 1 . 1 1 73 73 SER CB C 73 65.581 65.581 65.956 -0.375 25827 410 1 . 1 1 73 73 SER H H 73 8.794 8.794 8.519 0.275 25827 411 1 . 1 1 74 74 ILE N N 74 122.487 122.487 124.388 -1.901 25827 412 1 . 1 1 74 74 ILE HA H 74 3.976 3.976 4.552 -0.576 25827 413 1 . 1 1 74 74 ILE C C 74 176.045 176.045 175.139 0.906 25827 414 1 . 1 1 74 74 ILE CA C 74 62.576 62.576 60.623 1.953 25827 415 1 . 1 1 74 74 ILE CB C 74 38.471 38.471 39.181 -0.710 25827 416 1 . 1 1 74 74 ILE H H 74 8.813 8.813 8.624 0.189 25827 417 1 . 1 1 75 75 ALA N N 75 131.516 131.516 130.403 1.113 25827 418 1 . 1 1 75 75 ALA HA H 75 4.464 4.464 4.762 -0.298 25827 419 1 . 1 1 75 75 ALA C C 75 176.045 176.045 175.342 0.703 25827 420 1 . 1 1 75 75 ALA CA C 75 52.229 52.229 50.986 1.243 25827 421 1 . 1 1 75 75 ALA CB C 75 19.842 19.842 22.011 -2.169 25827 422 1 . 1 1 75 75 ALA H H 75 8.400 8.400 8.884 -0.484 25827 stop_ save_