data_17628 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17628 _Entry.PDB_ID 2LCR 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 17628 _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 PRO HA H 2 4.409 4.409 4.446 -0.037 17628 2 1 1 . 1 1 2 2 PRO C C 2 176.726 176.726 176.117 0.609 17628 3 1 1 . 1 1 2 2 PRO CA C 2 63.021 63.021 63.287 -0.266 17628 4 1 1 . 1 1 2 2 PRO CB C 2 32.135 32.135 31.164 0.971 17628 5 1 1 . 1 1 3 3 VAL N N 3 120.494 120.494 123.451 -2.957 17628 6 1 1 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.230 -0.236 17628 7 1 1 . 1 1 3 3 VAL C C 3 175.979 175.979 175.838 0.141 17628 8 1 1 . 1 1 3 3 VAL CA C 3 62.467 62.467 60.698 1.769 17628 9 1 1 . 1 1 3 3 VAL CB C 3 32.545 32.545 34.843 -2.298 17628 10 1 1 . 1 1 3 3 VAL H H 3 8.140 8.140 7.882 0.258 17628 11 1 1 . 1 1 4 4 LYS N N 4 126.411 126.411 126.761 -0.350 17628 12 1 1 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.300 0.284 17628 13 1 1 . 1 1 4 4 LYS C C 4 174.350 174.350 174.946 -0.596 17628 14 1 1 . 1 1 4 4 LYS CA C 4 54.055 54.055 55.273 -1.218 17628 15 1 1 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.773 0.806 17628 16 1 1 . 1 1 4 4 LYS H H 4 8.276 8.276 8.384 -0.108 17628 17 1 1 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.319 0.106 17628 18 1 1 . 1 1 5 5 PRO C C 5 176.929 176.929 176.561 0.368 17628 19 1 1 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.817 -0.622 17628 20 1 1 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.459 0.629 17628 21 1 1 . 1 1 6 6 SER N N 6 115.564 115.564 118.161 -2.597 17628 22 1 1 . 1 1 6 6 SER HA H 6 4.379 4.379 4.081 0.298 17628 23 1 1 . 1 1 6 6 SER C C 6 174.458 174.458 174.076 0.382 17628 24 1 1 . 1 1 6 6 SER CA C 6 58.418 58.418 59.895 -1.477 17628 25 1 1 . 1 1 6 6 SER CB C 6 63.981 63.981 61.662 2.319 17628 26 1 1 . 1 1 6 6 SER H H 6 8.283 8.283 9.007 -0.724 17628 27 1 1 . 1 1 7 7 ARG N N 7 122.599 122.599 116.247 6.352 17628 28 1 1 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.730 0.694 17628 29 1 1 . 1 1 7 7 ARG C C 7 176.216 176.216 175.023 1.193 17628 30 1 1 . 1 1 7 7 ARG CA C 7 56.083 56.083 58.239 -2.156 17628 31 1 1 . 1 1 7 7 ARG CB C 7 31.142 31.142 29.557 1.585 17628 32 1 1 . 1 1 7 7 ARG H H 7 8.321 8.321 8.360 -0.039 17628 33 1 1 . 1 1 8 8 GLY N N 8 110.092 110.092 105.584 4.508 17628 34 1 1 . 1 1 8 8 GLY C C 8 171.536 171.536 171.741 -0.205 17628 35 1 1 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.880 -0.406 17628 36 1 1 . 1 1 8 8 GLY H H 8 8.248 8.248 7.809 0.439 17628 37 1 1 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.384 0.041 17628 38 1 1 . 1 1 9 9 PRO C C 9 176.675 176.675 175.715 0.960 17628 39 1 1 . 1 1 9 9 PRO CA C 9 63.200 63.200 63.328 -0.128 17628 40 1 1 . 1 1 9 9 PRO CB C 9 32.242 32.242 31.055 1.188 17628 41 1 1 . 1 1 10 10 LEU N N 10 120.335 120.335 126.509 -6.174 17628 42 1 1 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.623 -0.108 17628 43 1 1 . 1 1 10 10 LEU C C 10 176.413 176.413 176.944 -0.531 17628 44 1 1 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.357 0.043 17628 45 1 1 . 1 1 10 10 LEU CB C 10 43.946 43.946 41.976 1.970 17628 46 1 1 . 1 1 10 10 LEU H H 10 8.018 8.018 8.033 -0.015 17628 47 1 1 . 1 1 11 11 VAL N N 11 120.543 120.543 126.909 -6.366 17628 48 1 1 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.348 0.107 17628 49 1 1 . 1 1 11 11 VAL C C 11 174.141 174.141 175.918 -1.777 17628 50 1 1 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.206 -0.938 17628 51 1 1 . 1 1 11 11 VAL CB C 11 35.006 35.006 33.548 1.458 17628 52 1 1 . 1 1 11 11 VAL H H 11 9.111 9.111 8.120 0.991 17628 53 1 1 . 1 1 12 12 THR N N 12 120.707 120.707 124.409 -3.702 17628 54 1 1 . 1 1 12 12 THR HA H 12 4.883 4.883 5.087 -0.204 17628 55 1 1 . 1 1 12 12 THR C C 12 173.103 173.103 174.187 -1.084 17628 56 1 1 . 1 1 12 12 THR CA C 12 62.760 62.760 63.156 -0.396 17628 57 1 1 . 1 1 12 12 THR CB C 12 69.037 69.037 69.747 -0.710 17628 58 1 1 . 1 1 12 12 THR H H 12 8.886 8.886 8.611 0.275 17628 59 1 1 . 1 1 13 13 CYS N N 13 124.651 124.651 124.460 0.191 17628 60 1 1 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.911 -0.029 17628 61 1 1 . 1 1 13 13 CYS C C 13 174.463 174.463 174.472 -0.009 17628 62 1 1 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.447 -6.325 17628 63 1 1 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.740 10.667 17628 64 1 1 . 1 1 13 13 CYS H H 13 9.165 9.165 8.876 0.289 17628 65 1 1 . 1 1 14 14 THR N N 14 121.496 121.496 119.179 2.317 17628 66 1 1 . 1 1 14 14 THR HA H 14 4.001 4.001 4.210 -0.209 17628 67 1 1 . 1 1 14 14 THR C C 14 172.453 172.453 174.358 -1.905 17628 68 1 1 . 1 1 14 14 THR CA C 14 66.024 66.024 64.593 1.431 17628 69 1 1 . 1 1 14 14 THR CB C 14 69.319 69.319 68.261 1.058 17628 70 1 1 . 1 1 14 14 THR H H 14 8.931 8.931 8.626 0.305 17628 71 1 1 . 1 1 15 15 CYS N N 15 129.296 129.296 128.426 0.870 17628 72 1 1 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.502 -0.468 17628 73 1 1 . 1 1 15 15 CYS C C 15 174.111 174.111 173.429 0.682 17628 74 1 1 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.437 -0.430 17628 75 1 1 . 1 1 15 15 CYS CB C 15 37.153 37.153 30.123 7.030 17628 76 1 1 . 1 1 15 15 CYS H H 15 8.227 8.227 8.591 -0.364 17628 77 1 1 . 1 1 16 16 GLU N N 16 127.625 127.625 124.222 3.403 17628 78 1 1 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.609 -0.096 17628 79 1 1 . 1 1 16 16 GLU C C 16 173.185 173.185 175.314 -2.129 17628 80 1 1 . 1 1 16 16 GLU CA C 16 56.082 56.082 55.928 0.154 17628 81 1 1 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.258 0.792 17628 82 1 1 . 1 1 16 16 GLU H H 16 9.106 9.106 8.598 0.508 17628 83 1 1 . 1 1 17 17 SER N N 17 123.384 123.384 117.287 6.097 17628 84 1 1 . 1 1 17 17 SER HA H 17 4.503 4.503 4.004 0.499 17628 85 1 1 . 1 1 17 17 SER C C 17 172.946 172.946 171.741 1.205 17628 86 1 1 . 1 1 17 17 SER CA C 17 57.341 57.341 59.766 -2.425 17628 87 1 1 . 1 1 17 17 SER CB C 17 63.379 63.379 61.875 1.504 17628 88 1 1 . 1 1 17 17 SER H H 17 7.770 7.770 8.726 -0.956 17628 89 1 1 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.397 -0.045 17628 90 1 1 . 1 1 18 18 PRO C C 18 176.600 176.600 176.779 -0.179 17628 91 1 1 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.575 0.852 17628 92 1 1 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.204 -0.197 17628 93 1 1 . 1 1 19 19 HIS N N 19 113.110 113.110 115.280 -2.170 17628 94 1 1 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.724 -0.046 17628 95 1 1 . 1 1 19 19 HIS C C 19 175.396 175.396 174.581 0.815 17628 96 1 1 . 1 1 19 19 HIS CA C 19 55.029 55.029 56.066 -1.037 17628 97 1 1 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.553 -1.145 17628 98 1 1 . 1 1 19 19 HIS H H 19 7.898 7.898 8.047 -0.149 17628 99 1 1 . 1 1 20 20 CYS N N 20 119.283 119.283 116.683 2.600 17628 100 1 1 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.681 -0.317 17628 101 1 1 . 1 1 20 20 CYS C C 20 174.956 174.956 174.304 0.652 17628 102 1 1 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.753 0.011 17628 103 1 1 . 1 1 20 20 CYS CB C 20 42.002 42.002 30.840 11.162 17628 104 1 1 . 1 1 20 20 CYS H H 20 7.305 7.305 7.719 -0.414 17628 105 1 1 . 1 1 21 21 LYS N N 21 124.199 124.199 123.210 0.989 17628 106 1 1 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.321 0.082 17628 107 1 1 . 1 1 21 21 LYS C C 21 175.650 175.650 176.474 -0.824 17628 108 1 1 . 1 1 21 21 LYS CA C 21 56.112 56.112 55.379 0.733 17628 109 1 1 . 1 1 21 21 LYS CB C 21 32.166 32.166 30.791 1.375 17628 110 1 1 . 1 1 21 21 LYS H H 21 8.851 8.851 8.740 0.111 17628 111 1 1 . 1 1 22 22 GLY N N 22 108.943 108.943 108.436 0.507 17628 112 1 1 . 1 1 22 22 GLY C C 22 171.467 171.467 172.819 -1.352 17628 113 1 1 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.689 -1.252 17628 114 1 1 . 1 1 22 22 GLY H H 22 7.768 7.768 7.528 0.240 17628 115 1 1 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.672 0.142 17628 116 1 1 . 1 1 23 23 PRO C C 23 177.578 177.578 175.812 1.766 17628 117 1 1 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.288 -0.078 17628 118 1 1 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.432 -0.047 17628 119 1 1 . 1 1 24 24 THR N N 24 108.931 108.931 109.313 -0.382 17628 120 1 1 . 1 1 24 24 THR HA H 24 5.358 5.358 4.951 0.407 17628 121 1 1 . 1 1 24 24 THR C C 24 173.043 173.043 173.627 -0.584 17628 122 1 1 . 1 1 24 24 THR CA C 24 59.041 59.041 60.175 -1.134 17628 123 1 1 . 1 1 24 24 THR CB C 24 73.255 73.255 71.754 1.501 17628 124 1 1 . 1 1 24 24 THR H H 24 7.599 7.599 8.024 -0.425 17628 125 1 1 . 1 1 25 25 CYS N N 25 115.152 115.152 119.604 -4.452 17628 126 1 1 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.710 0.156 17628 127 1 1 . 1 1 25 25 CYS C C 25 171.952 171.952 173.302 -1.350 17628 128 1 1 . 1 1 25 25 CYS CA C 25 53.487 53.487 58.915 -5.428 17628 129 1 1 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.842 15.543 17628 130 1 1 . 1 1 25 25 CYS H H 25 8.872 8.872 8.565 0.307 17628 131 1 1 . 1 1 26 26 ARG N N 26 119.551 119.551 127.776 -8.225 17628 132 1 1 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.465 1.112 17628 133 1 1 . 1 1 26 26 ARG C C 26 176.621 176.621 175.877 0.744 17628 134 1 1 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.505 -2.380 17628 135 1 1 . 1 1 26 26 ARG CB C 26 32.588 32.588 31.273 1.315 17628 136 1 1 . 1 1 26 26 ARG H H 26 8.481 8.481 8.725 -0.244 17628 137 1 1 . 1 1 27 27 GLY N N 27 111.192 111.192 110.812 0.380 17628 138 1 1 . 1 1 27 27 GLY C C 27 170.250 170.250 172.744 -2.494 17628 139 1 1 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.271 -0.138 17628 140 1 1 . 1 1 27 27 GLY H H 27 8.866 8.866 8.100 0.766 17628 141 1 1 . 1 1 28 28 ALA N N 28 123.763 123.763 122.685 1.078 17628 142 1 1 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.281 0.132 17628 143 1 1 . 1 1 28 28 ALA C C 28 177.525 177.525 176.236 1.289 17628 144 1 1 . 1 1 28 28 ALA CA C 28 54.717 54.717 53.364 1.353 17628 145 1 1 . 1 1 28 28 ALA CB C 28 19.214 19.214 19.475 -0.261 17628 146 1 1 . 1 1 28 28 ALA H H 28 7.732 7.732 8.564 -0.832 17628 147 1 1 . 1 1 29 29 TRP N N 29 112.576 112.576 113.797 -1.221 17628 148 1 1 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.715 -0.075 17628 149 1 1 . 1 1 29 29 TRP C C 29 172.901 172.901 173.584 -0.683 17628 150 1 1 . 1 1 29 29 TRP CA C 29 57.762 57.762 54.068 3.695 17628 151 1 1 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.531 0.075 17628 152 1 1 . 1 1 29 29 TRP H H 29 7.830 7.830 7.008 0.822 17628 153 1 1 . 1 1 30 30 CYS N N 30 116.421 116.421 121.422 -5.001 17628 154 1 1 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.540 0.354 17628 155 1 1 . 1 1 30 30 CYS C C 30 176.719 176.719 175.028 1.691 17628 156 1 1 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.786 -7.089 17628 157 1 1 . 1 1 30 30 CYS CB C 30 38.255 38.255 26.807 11.448 17628 158 1 1 . 1 1 30 30 CYS H H 30 9.319 9.319 9.096 0.223 17628 159 1 1 . 1 1 31 31 THR N N 31 110.073 110.073 118.064 -7.991 17628 160 1 1 . 1 1 31 31 THR HA H 31 5.917 5.917 5.728 0.189 17628 161 1 1 . 1 1 31 31 THR C C 31 177.249 177.249 174.395 2.854 17628 162 1 1 . 1 1 31 31 THR CA C 31 59.845 59.845 59.939 -0.094 17628 163 1 1 . 1 1 31 31 THR CB C 31 72.586 72.586 70.570 2.016 17628 164 1 1 . 1 1 31 31 THR H H 31 8.936 8.936 9.346 -0.410 17628 165 1 1 . 1 1 32 32 VAL N N 32 122.685 122.685 119.864 2.821 17628 166 1 1 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.228 -0.466 17628 167 1 1 . 1 1 32 32 VAL C C 32 173.813 173.813 174.440 -0.627 17628 168 1 1 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.235 4.484 17628 169 1 1 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.448 0.424 17628 170 1 1 . 1 1 32 32 VAL H H 32 8.841 8.841 9.073 -0.232 17628 171 1 1 . 1 1 33 33 VAL N N 33 124.915 124.915 118.816 6.099 17628 172 1 1 . 1 1 33 33 VAL HA H 33 4.787 4.787 5.158 -0.371 17628 173 1 1 . 1 1 33 33 VAL C C 33 174.014 174.014 174.383 -0.369 17628 174 1 1 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.472 -0.010 17628 175 1 1 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.283 1.405 17628 176 1 1 . 1 1 33 33 VAL H H 33 9.047 9.047 8.395 0.652 17628 177 1 1 . 1 1 34 34 LEU N N 34 127.771 127.771 128.761 -0.990 17628 178 1 1 . 1 1 34 34 LEU HA H 34 4.889 4.889 5.052 -0.163 17628 179 1 1 . 1 1 34 34 LEU C C 34 175.433 175.433 176.467 -1.034 17628 180 1 1 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.238 0.777 17628 181 1 1 . 1 1 34 34 LEU CB C 34 44.427 44.427 44.276 0.151 17628 182 1 1 . 1 1 34 34 LEU H H 34 8.450 8.450 7.982 0.468 17628 183 1 1 . 1 1 35 35 VAL N N 35 125.904 125.904 128.897 -2.993 17628 184 1 1 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.013 0.363 17628 185 1 1 . 1 1 35 35 VAL C C 35 175.098 175.098 174.956 0.142 17628 186 1 1 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.860 -0.559 17628 187 1 1 . 1 1 35 35 VAL CB C 35 34.190 34.190 31.203 2.987 17628 188 1 1 . 1 1 35 35 VAL H H 35 8.868 8.868 8.678 0.190 17628 189 1 1 . 1 1 36 36 ARG N N 36 127.282 127.282 128.286 -1.004 17628 190 1 1 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.169 0.347 17628 191 1 1 . 1 1 36 36 ARG C C 36 175.068 175.068 176.415 -1.347 17628 192 1 1 . 1 1 36 36 ARG CA C 36 55.524 55.524 56.561 -1.037 17628 193 1 1 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.044 0.559 17628 194 1 1 . 1 1 36 36 ARG H H 36 8.665 8.665 7.932 0.733 17628 195 1 1 . 1 1 37 37 GLU N N 37 124.628 124.628 127.815 -3.187 17628 196 1 1 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.103 0.295 17628 197 1 1 . 1 1 37 37 GLU C C 37 175.762 175.762 176.616 -0.854 17628 198 1 1 . 1 1 37 37 GLU CA C 37 55.477 55.477 59.376 -3.899 17628 199 1 1 . 1 1 37 37 GLU CB C 37 31.724 31.724 29.956 1.768 17628 200 1 1 . 1 1 37 37 GLU H H 37 8.458 8.458 8.804 -0.346 17628 201 1 1 . 1 1 38 38 GLU N N 38 123.236 123.236 118.300 4.936 17628 202 1 1 . 1 1 38 38 GLU HA H 38 4.028 4.028 3.926 0.102 17628 203 1 1 . 1 1 38 38 GLU C C 38 177.354 177.354 176.699 0.655 17628 204 1 1 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.954 0.970 17628 205 1 1 . 1 1 38 38 GLU CB C 38 29.270 29.270 27.604 1.667 17628 206 1 1 . 1 1 38 38 GLU H H 38 8.628 8.628 8.590 0.038 17628 207 1 1 . 1 1 39 39 GLY N N 39 111.764 111.764 108.437 3.327 17628 208 1 1 . 1 1 39 39 GLY C C 39 173.954 173.954 174.710 -0.756 17628 209 1 1 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.545 0.047 17628 210 1 1 . 1 1 39 39 GLY H H 39 8.670 8.670 8.541 0.129 17628 211 1 1 . 1 1 40 40 ARG N N 40 118.313 118.313 122.572 -4.259 17628 212 1 1 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.398 0.191 17628 213 1 1 . 1 1 40 40 ARG C C 40 175.874 175.874 175.298 0.576 17628 214 1 1 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.990 -2.405 17628 215 1 1 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.909 0.593 17628 216 1 1 . 1 1 40 40 ARG H H 40 7.905 7.905 7.873 0.032 17628 217 1 1 . 1 1 41 41 HIS N N 41 120.013 120.013 115.191 4.822 17628 218 1 1 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.723 0.132 17628 219 1 1 . 1 1 41 41 HIS C C 41 173.290 173.290 172.499 0.791 17628 220 1 1 . 1 1 41 41 HIS CA C 41 54.206 54.206 55.168 -0.962 17628 221 1 1 . 1 1 41 41 HIS CB C 41 28.189 28.189 31.956 -3.767 17628 222 1 1 . 1 1 41 41 HIS H H 41 8.512 8.512 8.095 0.417 17628 223 1 1 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.757 -0.117 17628 224 1 1 . 1 1 42 42 PRO C C 42 175.777 175.777 175.679 0.098 17628 225 1 1 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.427 1.093 17628 226 1 1 . 1 1 42 42 PRO CB C 42 32.493 32.493 31.726 0.767 17628 227 1 1 . 1 1 43 43 GLN N N 43 120.474 120.474 124.776 -4.302 17628 228 1 1 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.525 0.072 17628 229 1 1 . 1 1 43 43 GLN C C 43 173.963 173.963 175.011 -1.048 17628 230 1 1 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.507 -0.023 17628 231 1 1 . 1 1 43 43 GLN CB C 43 32.563 32.563 30.842 1.721 17628 232 1 1 . 1 1 43 43 GLN H H 43 8.524 8.524 7.924 0.600 17628 233 1 1 . 1 1 44 44 GLU N N 44 122.323 122.323 125.360 -3.037 17628 234 1 1 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.389 0.698 17628 235 1 1 . 1 1 44 44 GLU C C 44 175.650 175.650 175.739 -0.089 17628 236 1 1 . 1 1 44 44 GLU CA C 44 55.435 55.435 55.266 0.169 17628 237 1 1 . 1 1 44 44 GLU CB C 44 31.538 31.538 28.488 3.050 17628 238 1 1 . 1 1 44 44 GLU H H 44 8.751 8.751 8.965 -0.214 17628 239 1 1 . 1 1 45 45 HIS N N 45 122.818 122.818 125.125 -2.307 17628 240 1 1 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.330 0.059 17628 241 1 1 . 1 1 45 45 HIS C C 45 174.918 174.918 174.614 0.304 17628 242 1 1 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.624 -1.466 17628 243 1 1 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.248 2.142 17628 244 1 1 . 1 1 45 45 HIS H H 45 9.202 9.202 8.121 1.081 17628 245 1 1 . 1 1 46 46 ARG N N 46 122.260 122.260 121.863 0.397 17628 246 1 1 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.370 -0.153 17628 247 1 1 . 1 1 46 46 ARG C C 46 176.255 176.255 175.600 0.655 17628 248 1 1 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.453 0.391 17628 249 1 1 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.390 -1.997 17628 250 1 1 . 1 1 46 46 ARG H H 46 8.847 8.847 8.689 0.158 17628 251 1 1 . 1 1 47 47 GLY N N 47 114.135 114.135 108.119 6.016 17628 252 1 1 . 1 1 47 47 GLY C C 47 171.175 171.175 172.220 -1.045 17628 253 1 1 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.668 2.004 17628 254 1 1 . 1 1 47 47 GLY H H 47 8.210 8.210 8.824 -0.614 17628 255 1 1 . 1 1 48 48 CYS N N 48 118.698 118.698 121.697 -2.999 17628 256 1 1 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.491 -0.299 17628 257 1 1 . 1 1 48 48 CYS C C 48 173.522 173.522 176.380 -2.858 17628 258 1 1 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.580 2.020 17628 259 1 1 . 1 1 48 48 CYS CB C 48 44.933 44.933 27.671 17.262 17628 260 1 1 . 1 1 48 48 CYS H H 48 8.322 8.322 8.564 -0.242 17628 261 1 1 . 1 1 49 49 GLY N N 49 112.213 112.213 112.586 -0.373 17628 262 1 1 . 1 1 49 49 GLY C C 49 170.413 170.413 174.461 -4.048 17628 263 1 1 . 1 1 49 49 GLY CA C 49 43.104 43.104 46.017 -2.913 17628 264 1 1 . 1 1 49 49 GLY H H 49 8.679 8.679 9.137 -0.458 17628 265 1 1 . 1 1 50 50 ASN N N 50 115.420 115.420 116.014 -0.594 17628 266 1 1 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.275 -0.247 17628 267 1 1 . 1 1 50 50 ASN C C 50 173.574 173.574 174.541 -0.967 17628 268 1 1 . 1 1 50 50 ASN CA C 50 54.381 54.381 55.840 -1.459 17628 269 1 1 . 1 1 50 50 ASN CB C 50 42.721 42.721 37.294 5.427 17628 270 1 1 . 1 1 50 50 ASN H H 50 8.103 8.103 8.165 -0.062 17628 271 1 1 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.307 0.348 17628 272 1 1 . 1 1 51 51 LEU C C 51 176.323 176.323 175.928 0.395 17628 273 1 1 . 1 1 51 51 LEU CA C 51 54.399 54.399 53.903 0.496 17628 274 1 1 . 1 1 51 51 LEU CB C 51 45.606 45.606 43.376 2.230 17628 275 1 1 . 1 1 52 52 HIS N N 52 115.835 115.835 120.155 -4.320 17628 276 1 1 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.769 0.218 17628 277 1 1 . 1 1 52 52 HIS C C 52 176.442 176.442 175.274 1.168 17628 278 1 1 . 1 1 52 52 HIS CA C 52 55.983 55.983 56.575 -0.592 17628 279 1 1 . 1 1 52 52 HIS CB C 52 26.270 26.270 29.721 -3.451 17628 280 1 1 . 1 1 52 52 HIS H H 52 8.904 8.904 8.256 0.648 17628 281 1 1 . 1 1 53 53 ARG N N 53 124.169 124.169 126.258 -2.089 17628 282 1 1 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.643 -1.323 17628 283 1 1 . 1 1 53 53 ARG C C 53 177.862 177.862 177.564 0.298 17628 284 1 1 . 1 1 53 53 ARG CA C 53 57.358 57.358 56.894 0.464 17628 285 1 1 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.904 -1.250 17628 286 1 1 . 1 1 53 53 ARG H H 53 8.876 8.876 8.677 0.199 17628 287 1 1 . 1 1 54 54 GLU N N 54 118.465 118.465 119.753 -1.288 17628 288 1 1 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.118 -0.085 17628 289 1 1 . 1 1 54 54 GLU C C 54 177.704 177.704 177.160 0.544 17628 290 1 1 . 1 1 54 54 GLU CA C 54 58.743 58.743 59.293 -0.550 17628 291 1 1 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.584 -1.640 17628 292 1 1 . 1 1 54 54 GLU H H 54 9.759 9.759 8.825 0.934 17628 293 1 1 . 1 1 55 55 LEU N N 55 120.238 120.238 116.287 3.951 17628 294 1 1 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.351 -0.295 17628 295 1 1 . 1 1 55 55 LEU C C 55 177.601 177.601 176.344 1.257 17628 296 1 1 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.152 0.730 17628 297 1 1 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.735 -0.510 17628 298 1 1 . 1 1 55 55 LEU H H 55 7.351 7.351 7.840 -0.489 17628 299 1 1 . 1 1 56 56 CYS N N 56 115.234 115.234 118.808 -3.574 17628 300 1 1 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.793 -0.532 17628 301 1 1 . 1 1 56 56 CYS C C 56 175.060 175.060 173.299 1.761 17628 302 1 1 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.500 -1.617 17628 303 1 1 . 1 1 56 56 CYS CB C 56 38.516 38.516 26.165 12.351 17628 304 1 1 . 1 1 56 56 CYS H H 56 7.640 7.640 8.027 -0.387 17628 305 1 1 . 1 1 57 57 ARG N N 57 119.272 119.272 118.939 0.333 17628 306 1 1 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.427 0.057 17628 307 1 1 . 1 1 57 57 ARG C C 57 176.114 176.114 175.297 0.817 17628 308 1 1 . 1 1 57 57 ARG CA C 57 55.323 55.323 56.192 -0.869 17628 309 1 1 . 1 1 57 57 ARG CB C 57 31.650 31.650 31.771 -0.121 17628 310 1 1 . 1 1 57 57 ARG H H 57 7.626 7.626 7.723 -0.097 17628 311 1 1 . 1 1 58 58 GLY N N 58 108.813 108.813 110.351 -1.538 17628 312 1 1 . 1 1 58 58 GLY C C 58 173.663 173.663 173.171 0.492 17628 313 1 1 . 1 1 58 58 GLY CA C 58 45.357 45.357 44.126 1.232 17628 314 1 1 . 1 1 58 58 GLY H H 58 8.139 8.139 8.036 0.103 17628 315 1 1 . 1 1 59 59 ARG N N 59 121.042 121.042 121.646 -0.604 17628 316 1 1 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.642 0.114 17628 317 1 1 . 1 1 59 59 ARG C C 59 174.784 174.784 174.647 0.137 17628 318 1 1 . 1 1 59 59 ARG CA C 59 53.834 53.834 53.173 0.661 17628 319 1 1 . 1 1 59 59 ARG CB C 59 30.716 30.716 29.720 0.996 17628 320 1 1 . 1 1 59 59 ARG H H 59 8.216 8.216 8.124 0.092 17628 321 1 1 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.292 0.182 17628 322 1 1 . 1 1 60 60 PRO C C 60 176.726 176.726 175.596 1.130 17628 323 1 1 . 1 1 60 60 PRO CA C 60 63.849 63.849 64.118 -0.269 17628 324 1 1 . 1 1 60 60 PRO CB C 60 31.909 31.909 30.849 1.060 17628 325 1 1 . 1 1 61 61 THR N N 61 110.945 110.945 115.686 -4.741 17628 326 1 1 . 1 1 61 61 THR HA H 61 4.426 4.426 4.171 0.255 17628 327 1 1 . 1 1 61 61 THR C C 61 174.238 174.238 174.817 -0.579 17628 328 1 1 . 1 1 61 61 THR CA C 61 61.219 61.219 62.380 -1.161 17628 329 1 1 . 1 1 61 61 THR CB C 61 70.449 70.449 70.512 -0.063 17628 330 1 1 . 1 1 61 61 THR H H 61 7.940 7.940 8.186 -0.246 17628 331 1 1 . 1 1 62 62 GLU N N 62 119.936 119.936 120.273 -0.337 17628 332 1 1 . 1 1 62 62 GLU HA H 62 4.170 4.170 3.894 0.276 17628 333 1 1 . 1 1 62 62 GLU C C 62 175.889 175.889 176.824 -0.935 17628 334 1 1 . 1 1 62 62 GLU CA C 62 57.090 57.090 59.255 -2.165 17628 335 1 1 . 1 1 62 62 GLU CB C 62 30.109 30.109 28.300 1.809 17628 336 1 1 . 1 1 62 62 GLU H H 62 8.342 8.342 7.977 0.365 17628 337 1 1 . 1 1 63 63 PHE N N 63 117.934 117.934 117.470 0.464 17628 338 1 1 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.737 -0.138 17628 339 1 1 . 1 1 63 63 PHE C C 63 175.367 175.367 174.834 0.533 17628 340 1 1 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.060 1.090 17628 341 1 1 . 1 1 63 63 PHE CB C 63 39.511 39.511 38.842 0.669 17628 342 1 1 . 1 1 63 63 PHE H H 63 8.137 8.137 7.422 0.715 17628 343 1 1 . 1 1 64 64 VAL N N 64 120.294 120.294 123.114 -2.820 17628 344 1 1 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.295 0.088 17628 345 1 1 . 1 1 64 64 VAL C C 64 174.649 174.649 174.870 -0.221 17628 346 1 1 . 1 1 64 64 VAL CA C 64 62.287 62.287 59.847 2.440 17628 347 1 1 . 1 1 64 64 VAL CB C 64 33.405 33.405 34.202 -0.797 17628 348 1 1 . 1 1 64 64 VAL H H 64 7.792 7.792 7.033 0.759 17628 349 1 1 . 1 1 65 65 ASN N N 65 121.166 121.166 128.694 -7.528 17628 350 1 1 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.822 0.075 17628 351 1 1 . 1 1 65 65 ASN C C 65 173.716 173.716 174.311 -0.595 17628 352 1 1 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.735 1.173 17628 353 1 1 . 1 1 65 65 ASN CB C 65 40.357 40.357 37.351 3.006 17628 354 1 1 . 1 1 65 65 ASN H H 65 8.455 8.455 8.650 -0.195 17628 355 1 1 . 1 1 66 66 HIS N N 66 121.303 121.303 121.858 -0.555 17628 356 1 1 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.330 -0.279 17628 357 1 1 . 1 1 66 66 HIS C C 66 172.730 172.730 173.951 -1.221 17628 358 1 1 . 1 1 66 66 HIS CA C 66 55.764 55.764 53.660 2.103 17628 359 1 1 . 1 1 66 66 HIS CB C 66 31.856 31.856 28.286 3.570 17628 360 1 1 . 1 1 66 66 HIS H H 66 8.128 8.128 7.927 0.201 17628 361 1 1 . 1 1 67 67 TYR N N 67 125.626 125.626 126.569 -0.943 17628 362 1 1 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.654 0.283 17628 363 1 1 . 1 1 67 67 TYR C C 67 174.178 174.178 173.398 0.780 17628 364 1 1 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.910 -0.729 17628 365 1 1 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.223 0.924 17628 366 1 1 . 1 1 67 67 TYR H H 67 9.065 9.065 8.585 0.480 17628 367 1 1 . 1 1 68 68 CYS N N 68 123.801 123.801 121.096 2.705 17628 368 1 1 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.511 0.288 17628 369 1 1 . 1 1 68 68 CYS C C 68 171.347 171.347 173.216 -1.869 17628 370 1 1 . 1 1 68 68 CYS CA C 68 51.895 51.895 54.695 -2.800 17628 371 1 1 . 1 1 68 68 CYS CB C 68 45.198 45.198 29.224 15.974 17628 372 1 1 . 1 1 68 68 CYS H H 68 7.902 7.902 7.420 0.482 17628 373 1 1 . 1 1 69 69 CYS N N 69 115.715 115.715 119.132 -3.417 17628 374 1 1 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.536 0.246 17628 375 1 1 . 1 1 69 69 CYS C C 69 173.552 173.552 173.439 0.113 17628 376 1 1 . 1 1 69 69 CYS CA C 69 54.996 54.996 57.230 -2.234 17628 377 1 1 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.575 14.325 17628 378 1 1 . 1 1 69 69 CYS H H 69 8.843 8.843 8.886 -0.043 17628 379 1 1 . 1 1 70 70 ASP N N 70 120.487 120.487 119.841 0.646 17628 380 1 1 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.715 0.449 17628 381 1 1 . 1 1 70 70 ASP C C 70 174.507 174.507 174.941 -0.434 17628 382 1 1 . 1 1 70 70 ASP CA C 70 54.827 54.827 53.822 1.005 17628 383 1 1 . 1 1 70 70 ASP CB C 70 42.481 42.481 40.112 2.369 17628 384 1 1 . 1 1 70 70 ASP H H 70 8.531 8.531 8.485 0.046 17628 385 1 1 . 1 1 71 71 SER N N 71 113.179 113.179 115.779 -2.600 17628 386 1 1 . 1 1 71 71 SER HA H 71 4.896 4.896 4.637 0.259 17628 387 1 1 . 1 1 71 71 SER C C 71 173.387 173.387 173.690 -0.303 17628 388 1 1 . 1 1 71 71 SER CA C 71 57.709 57.709 57.383 0.326 17628 389 1 1 . 1 1 71 71 SER CB C 71 66.587 66.587 66.003 0.584 17628 390 1 1 . 1 1 71 71 SER H H 71 7.641 7.641 7.353 0.288 17628 391 1 1 . 1 1 72 72 HIS N N 72 119.348 119.348 121.541 -2.193 17628 392 1 1 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.495 0.043 17628 393 1 1 . 1 1 72 72 HIS C C 72 176.173 176.173 176.187 -0.014 17628 394 1 1 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.449 2.285 17628 395 1 1 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.614 2.162 17628 396 1 1 . 1 1 72 72 HIS H H 72 8.308 8.308 8.603 -0.295 17628 397 1 1 . 1 1 73 73 LEU N N 73 123.124 123.124 118.808 4.316 17628 398 1 1 . 1 1 73 73 LEU HA H 73 3.768 3.768 4.015 -0.247 17628 399 1 1 . 1 1 73 73 LEU C C 73 178.572 178.572 176.973 1.599 17628 400 1 1 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.381 1.221 17628 401 1 1 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.380 0.622 17628 402 1 1 . 1 1 73 73 LEU H H 73 9.769 9.769 9.260 0.509 17628 403 1 1 . 1 1 74 74 CYS N N 74 116.789 116.789 119.264 -2.475 17628 404 1 1 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.338 0.084 17628 405 1 1 . 1 1 74 74 CYS C C 74 174.644 174.644 176.084 -1.440 17628 406 1 1 . 1 1 74 74 CYS CA C 74 58.560 58.560 60.416 -1.856 17628 407 1 1 . 1 1 74 74 CYS CB C 74 44.268 44.268 27.011 17.257 17628 408 1 1 . 1 1 74 74 CYS H H 74 8.488 8.488 8.139 0.349 17628 409 1 1 . 1 1 75 75 ASN N N 75 118.193 118.193 118.320 -0.127 17628 410 1 1 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.697 -0.279 17628 411 1 1 . 1 1 75 75 ASN C C 75 175.216 175.216 175.488 -0.272 17628 412 1 1 . 1 1 75 75 ASN CA C 75 52.578 52.578 53.880 -1.302 17628 413 1 1 . 1 1 75 75 ASN CB C 75 37.613 37.613 38.183 -0.570 17628 414 1 1 . 1 1 75 75 ASN H H 75 8.432 8.432 8.241 0.191 17628 415 1 1 . 1 1 76 76 HIS N N 76 120.329 120.329 120.502 -0.173 17628 416 1 1 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.394 -0.227 17628 417 1 1 . 1 1 76 76 HIS C C 76 174.631 174.631 174.246 0.385 17628 418 1 1 . 1 1 76 76 HIS CA C 76 59.328 59.328 59.120 0.208 17628 419 1 1 . 1 1 76 76 HIS CB C 76 29.708 29.708 30.614 -0.906 17628 420 1 1 . 1 1 76 76 HIS H H 76 7.768 7.768 7.588 0.180 17628 421 1 1 . 1 1 77 77 ASN N N 77 115.167 115.167 116.461 -1.294 17628 422 1 1 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.782 -0.224 17628 423 1 1 . 1 1 77 77 ASN C C 77 174.522 174.522 173.600 0.922 17628 424 1 1 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.222 0.642 17628 425 1 1 . 1 1 77 77 ASN CB C 77 38.719 38.719 39.234 -0.515 17628 426 1 1 . 1 1 77 77 ASN H H 77 8.457 8.457 7.766 0.691 17628 427 1 1 . 1 1 78 78 VAL N N 78 119.202 119.202 120.803 -1.601 17628 428 1 1 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.335 -0.492 17628 429 1 1 . 1 1 78 78 VAL C C 78 174.709 174.709 174.343 0.366 17628 430 1 1 . 1 1 78 78 VAL CA C 78 62.643 62.643 59.851 2.792 17628 431 1 1 . 1 1 78 78 VAL CB C 78 33.309 33.309 35.259 -1.950 17628 432 1 1 . 1 1 78 78 VAL H H 78 6.691 6.691 7.964 -1.273 17628 433 1 1 . 1 1 79 79 SER HA H 79 4.846 4.846 4.605 0.241 17628 434 1 1 . 1 1 79 79 SER C C 79 174.082 174.082 173.725 0.357 17628 435 1 1 . 1 1 79 79 SER CA C 79 56.222 56.222 57.789 -1.567 17628 436 1 1 . 1 1 79 79 SER CB C 79 64.855 64.855 63.562 1.293 17628 437 1 1 . 1 1 80 80 LEU N N 80 126.815 126.815 128.486 -1.671 17628 438 1 1 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.521 -0.161 17628 439 1 1 . 1 1 80 80 LEU C C 80 176.897 176.897 175.428 1.469 17628 440 1 1 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.559 -0.259 17628 441 1 1 . 1 1 80 80 LEU CB C 80 42.671 42.671 41.979 0.692 17628 442 1 1 . 1 1 80 80 LEU H H 80 9.623 9.623 8.753 0.870 17628 443 1 1 . 1 1 81 81 VAL N N 81 117.921 117.921 121.555 -3.634 17628 444 1 1 . 1 1 81 81 VAL HA H 81 3.944 3.944 4.178 -0.234 17628 445 1 1 . 1 1 81 81 VAL C C 81 175.889 175.889 174.864 1.025 17628 446 1 1 . 1 1 81 81 VAL CA C 81 62.536 62.536 61.553 0.983 17628 447 1 1 . 1 1 81 81 VAL CB C 81 32.869 32.869 33.941 -1.072 17628 448 1 1 . 1 1 81 81 VAL H H 81 7.824 7.824 7.874 -0.050 17628 449 1 1 . 1 1 82 82 LEU N N 82 124.533 124.533 122.648 1.885 17628 450 1 1 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.042 0.249 17628 451 1 1 . 1 1 82 82 LEU C C 82 177.197 177.197 175.484 1.713 17628 452 1 1 . 1 1 82 82 LEU CA C 82 55.131 55.131 57.181 -2.050 17628 453 1 1 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.606 1.685 17628 454 1 1 . 1 1 82 82 LEU H H 82 8.059 8.059 8.290 -0.231 17628 455 1 1 . 1 1 83 83 GLU N N 83 120.926 120.926 123.487 -2.561 17628 456 1 1 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.386 -0.204 17628 457 1 1 . 1 1 83 83 GLU C C 83 175.897 175.897 174.431 1.466 17628 458 1 1 . 1 1 83 83 GLU CA C 83 56.515 56.515 56.850 -0.335 17628 459 1 1 . 1 1 83 83 GLU CB C 83 30.167 30.167 31.081 -0.914 17628 460 1 1 . 1 1 83 83 GLU H H 83 8.047 8.047 8.489 -0.442 17628 461 1 1 . 1 1 84 84 ALA N N 84 124.350 124.350 120.144 4.206 17628 462 1 1 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.864 -0.560 17628 463 1 1 . 1 1 84 84 ALA C C 84 177.704 177.704 175.749 1.955 17628 464 1 1 . 1 1 84 84 ALA CA C 84 52.535 52.535 51.796 0.739 17628 465 1 1 . 1 1 84 84 ALA CB C 84 19.334 19.334 20.924 -1.590 17628 466 1 1 . 1 1 84 84 ALA H H 84 8.162 8.162 7.536 0.626 17628 467 1 1 . 1 1 85 85 THR N N 85 112.934 112.934 113.583 -0.649 17628 468 1 1 . 1 1 85 85 THR HA H 85 4.264 4.264 4.213 0.051 17628 469 1 1 . 1 1 85 85 THR C C 85 174.231 174.231 174.542 -0.311 17628 470 1 1 . 1 1 85 85 THR CA C 85 61.831 61.831 61.510 0.321 17628 471 1 1 . 1 1 85 85 THR CB C 85 69.955 69.955 67.852 2.103 17628 472 1 1 . 1 1 85 85 THR H H 85 7.981 7.981 8.428 -0.447 17628 473 1 1 . 1 1 86 86 GLN N N 86 123.516 123.516 123.172 0.344 17628 474 1 1 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.524 0.086 17628 475 1 1 . 1 1 86 86 GLN C C 86 173.352 173.352 174.300 -0.948 17628 476 1 1 . 1 1 86 86 GLN CA C 86 53.606 53.606 53.550 0.056 17628 477 1 1 . 1 1 86 86 GLN CB C 86 29.094 29.094 27.837 1.257 17628 478 1 1 . 1 1 86 86 GLN H H 86 8.217 8.217 8.098 0.119 17628 479 1 1 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.695 -0.282 17628 480 1 1 . 1 1 88 88 PRO C C 88 176.930 176.930 176.729 0.201 17628 481 1 1 . 1 1 88 88 PRO CA C 88 63.105 63.105 61.376 1.729 17628 482 1 1 . 1 1 88 88 PRO CB C 88 32.160 32.160 34.175 -2.015 17628 483 1 1 . 1 1 89 89 SER N N 89 116.298 116.298 115.634 0.664 17628 484 1 1 . 1 1 89 89 SER HA H 89 4.419 4.419 4.327 0.093 17628 485 1 1 . 1 1 89 89 SER C C 89 174.469 174.469 175.102 -0.633 17628 486 1 1 . 1 1 89 89 SER CA C 89 58.378 58.378 58.965 -0.587 17628 487 1 1 . 1 1 89 89 SER CB C 89 63.995 63.995 63.755 0.239 17628 488 1 1 . 1 1 89 89 SER H H 89 8.358 8.358 8.547 -0.189 17628 489 1 1 . 1 1 90 90 GLU N N 90 122.340 122.340 122.590 -0.250 17628 490 1 1 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.471 0.176 17628 491 1 1 . 1 1 90 90 GLU C C 90 175.971 175.971 174.786 1.185 17628 492 1 1 . 1 1 90 90 GLU CA C 90 56.350 56.350 54.925 1.425 17628 493 1 1 . 1 1 90 90 GLU CB C 90 30.349 30.349 30.105 0.244 17628 494 1 1 . 1 1 90 90 GLU H H 90 8.338 8.338 8.252 0.086 17628 495 1 1 . 1 1 91 91 GLN N N 91 122.043 122.043 128.041 -5.998 17628 496 1 1 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.664 -0.061 17628 497 1 1 . 1 1 91 91 GLN C C 91 173.879 173.879 174.822 -0.943 17628 498 1 1 . 1 1 91 91 GLN CA C 91 53.624 53.624 53.381 0.243 17628 499 1 1 . 1 1 91 91 GLN CB C 91 29.090 29.090 28.922 0.168 17628 500 1 1 . 1 1 91 91 GLN H H 91 8.317 8.317 8.707 -0.390 17628 501 1 1 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.574 -0.157 17628 502 1 1 . 1 1 92 92 PRO C C 92 177.488 177.488 176.213 1.275 17628 503 1 1 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.376 1.007 17628 504 1 1 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.396 -0.243 17628 505 1 1 . 1 1 93 93 GLY N N 93 109.201 109.201 107.238 1.963 17628 506 1 1 . 1 1 93 93 GLY C C 93 174.619 174.619 172.725 1.894 17628 507 1 1 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.983 0.359 17628 508 1 1 . 1 1 93 93 GLY H H 93 8.480 8.480 7.499 0.981 17628 509 1 1 . 1 1 94 94 THR N N 94 112.828 112.828 114.265 -1.437 17628 510 1 1 . 1 1 94 94 THR HA H 94 4.356 4.356 4.150 0.206 17628 511 1 1 . 1 1 94 94 THR C C 94 174.510 174.510 173.977 0.533 17628 512 1 1 . 1 1 94 94 THR CA C 94 61.816 61.816 62.275 -0.459 17628 513 1 1 . 1 1 94 94 THR CB C 94 69.913 69.913 68.582 1.331 17628 514 1 1 . 1 1 94 94 THR H H 94 8.044 8.044 8.200 -0.156 17628 515 1 1 . 1 1 95 95 ASP N N 95 122.173 122.173 126.431 -4.258 17628 516 1 1 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.344 0.262 17628 517 1 1 . 1 1 95 95 ASP C C 95 176.584 176.584 175.252 1.332 17628 518 1 1 . 1 1 95 95 ASP CA C 95 54.631 54.631 55.465 -0.834 17628 519 1 1 . 1 1 95 95 ASP CB C 95 41.067 41.067 41.450 -0.383 17628 520 1 1 . 1 1 95 95 ASP H H 95 8.413 8.413 8.144 0.269 17628 521 1 1 . 1 1 96 96 GLY N N 96 109.220 109.220 109.509 -0.289 17628 522 1 1 . 1 1 96 96 GLY C C 96 173.454 173.454 172.772 0.682 17628 523 1 1 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.024 0.641 17628 524 1 1 . 1 1 96 96 GLY H H 96 8.290 8.290 8.019 0.271 17628 525 1 2 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.470 -0.061 17628 526 1 2 . 1 1 2 2 PRO C C 2 176.726 176.726 177.045 -0.319 17628 527 1 2 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.956 0.065 17628 528 1 2 . 1 1 2 2 PRO CB C 2 32.135 32.135 31.389 0.746 17628 529 1 2 . 1 1 3 3 VAL N N 3 120.494 120.494 117.912 2.582 17628 530 1 2 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.151 -0.157 17628 531 1 2 . 1 1 3 3 VAL C C 3 175.979 175.979 175.157 0.822 17628 532 1 2 . 1 1 3 3 VAL CA C 3 62.467 62.467 61.167 1.300 17628 533 1 2 . 1 1 3 3 VAL CB C 3 32.545 32.545 31.250 1.295 17628 534 1 2 . 1 1 3 3 VAL H H 3 8.140 8.140 7.927 0.213 17628 535 1 2 . 1 1 4 4 LYS N N 4 126.411 126.411 118.387 8.024 17628 536 1 2 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.045 0.539 17628 537 1 2 . 1 1 4 4 LYS C C 4 174.350 174.350 175.713 -1.363 17628 538 1 2 . 1 1 4 4 LYS CA C 4 54.055 54.055 57.558 -3.503 17628 539 1 2 . 1 1 4 4 LYS CB C 4 32.579 32.579 30.759 1.820 17628 540 1 2 . 1 1 4 4 LYS H H 4 8.276 8.276 7.879 0.397 17628 541 1 2 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.397 0.028 17628 542 1 2 . 1 1 5 5 PRO C C 5 176.929 176.929 176.158 0.771 17628 543 1 2 . 1 1 5 5 PRO CA C 5 63.195 63.195 64.470 -1.275 17628 544 1 2 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.770 0.318 17628 545 1 2 . 1 1 6 6 SER N N 6 115.564 115.564 110.065 5.499 17628 546 1 2 . 1 1 6 6 SER HA H 6 4.379 4.379 4.544 -0.165 17628 547 1 2 . 1 1 6 6 SER C C 6 174.458 174.458 174.165 0.293 17628 548 1 2 . 1 1 6 6 SER CA C 6 58.418 58.418 56.834 1.584 17628 549 1 2 . 1 1 6 6 SER CB C 6 63.981 63.981 63.816 0.165 17628 550 1 2 . 1 1 6 6 SER H H 6 8.283 8.283 7.822 0.461 17628 551 1 2 . 1 1 7 7 ARG N N 7 122.599 122.599 121.390 1.209 17628 552 1 2 . 1 1 7 7 ARG HA H 7 4.424 4.424 4.110 0.314 17628 553 1 2 . 1 1 7 7 ARG C C 7 176.216 176.216 174.999 1.217 17628 554 1 2 . 1 1 7 7 ARG CA C 7 56.083 56.083 56.757 -0.674 17628 555 1 2 . 1 1 7 7 ARG CB C 7 31.142 31.142 28.128 3.014 17628 556 1 2 . 1 1 7 7 ARG H H 7 8.321 8.321 7.478 0.843 17628 557 1 2 . 1 1 8 8 GLY N N 8 110.092 110.092 105.691 4.401 17628 558 1 2 . 1 1 8 8 GLY C C 8 171.536 171.536 171.921 -0.385 17628 559 1 2 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.711 -0.237 17628 560 1 2 . 1 1 8 8 GLY H H 8 8.248 8.248 7.539 0.709 17628 561 1 2 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.598 -0.173 17628 562 1 2 . 1 1 9 9 PRO C C 9 176.675 176.675 176.132 0.543 17628 563 1 2 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.277 0.923 17628 564 1 2 . 1 1 9 9 PRO CB C 9 32.242 32.242 32.675 -0.433 17628 565 1 2 . 1 1 10 10 LEU N N 10 120.335 120.335 119.184 1.151 17628 566 1 2 . 1 1 10 10 LEU HA H 10 4.515 4.515 5.158 -0.643 17628 567 1 2 . 1 1 10 10 LEU C C 10 176.413 176.413 176.025 0.388 17628 568 1 2 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.121 0.279 17628 569 1 2 . 1 1 10 10 LEU CB C 10 43.946 43.946 44.774 -0.828 17628 570 1 2 . 1 1 10 10 LEU H H 10 8.018 8.018 8.371 -0.353 17628 571 1 2 . 1 1 11 11 VAL N N 11 120.543 120.543 121.878 -1.335 17628 572 1 2 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.797 -0.342 17628 573 1 2 . 1 1 11 11 VAL C C 11 174.141 174.141 175.682 -1.541 17628 574 1 2 . 1 1 11 11 VAL CA C 11 60.268 60.268 60.849 -0.581 17628 575 1 2 . 1 1 11 11 VAL CB C 11 35.006 35.006 35.212 -0.206 17628 576 1 2 . 1 1 11 11 VAL H H 11 9.111 9.111 8.567 0.544 17628 577 1 2 . 1 1 12 12 THR N N 12 120.707 120.707 123.726 -3.019 17628 578 1 2 . 1 1 12 12 THR HA H 12 4.883 4.883 5.029 -0.146 17628 579 1 2 . 1 1 12 12 THR C C 12 173.103 173.103 174.062 -0.959 17628 580 1 2 . 1 1 12 12 THR CA C 12 62.760 62.760 63.497 -0.737 17628 581 1 2 . 1 1 12 12 THR CB C 12 69.037 69.037 69.603 -0.566 17628 582 1 2 . 1 1 12 12 THR H H 12 8.886 8.886 8.733 0.153 17628 583 1 2 . 1 1 13 13 CYS N N 13 124.651 124.651 124.403 0.248 17628 584 1 2 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.890 -0.008 17628 585 1 2 . 1 1 13 13 CYS C C 13 174.463 174.463 174.485 -0.022 17628 586 1 2 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.373 -6.252 17628 587 1 2 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.326 11.081 17628 588 1 2 . 1 1 13 13 CYS H H 13 9.165 9.165 8.287 0.878 17628 589 1 2 . 1 1 14 14 THR N N 14 121.496 121.496 119.165 2.331 17628 590 1 2 . 1 1 14 14 THR HA H 14 4.001 4.001 4.028 -0.027 17628 591 1 2 . 1 1 14 14 THR C C 14 172.453 172.453 174.014 -1.561 17628 592 1 2 . 1 1 14 14 THR CA C 14 66.024 66.024 64.016 2.008 17628 593 1 2 . 1 1 14 14 THR CB C 14 69.319 69.319 68.780 0.539 17628 594 1 2 . 1 1 14 14 THR H H 14 8.931 8.931 8.603 0.328 17628 595 1 2 . 1 1 15 15 CYS N N 15 129.296 129.296 129.364 -0.068 17628 596 1 2 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.334 -0.300 17628 597 1 2 . 1 1 15 15 CYS C C 15 174.111 174.111 173.998 0.113 17628 598 1 2 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.383 -0.376 17628 599 1 2 . 1 1 15 15 CYS CB C 15 37.153 37.153 28.109 9.044 17628 600 1 2 . 1 1 15 15 CYS H H 15 8.227 8.227 9.320 -1.093 17628 601 1 2 . 1 1 16 16 GLU N N 16 127.625 127.625 128.196 -0.571 17628 602 1 2 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.594 -0.081 17628 603 1 2 . 1 1 16 16 GLU C C 16 173.185 173.185 175.787 -2.602 17628 604 1 2 . 1 1 16 16 GLU CA C 16 56.082 56.082 54.512 1.570 17628 605 1 2 . 1 1 16 16 GLU CB C 16 32.050 32.050 29.695 2.354 17628 606 1 2 . 1 1 16 16 GLU H H 16 9.106 9.106 8.912 0.194 17628 607 1 2 . 1 1 17 17 SER N N 17 123.384 123.384 117.698 5.686 17628 608 1 2 . 1 1 17 17 SER HA H 17 4.503 4.503 4.026 0.477 17628 609 1 2 . 1 1 17 17 SER C C 17 172.946 172.946 171.848 1.098 17628 610 1 2 . 1 1 17 17 SER CA C 17 57.341 57.341 59.443 -2.102 17628 611 1 2 . 1 1 17 17 SER CB C 17 63.379 63.379 61.986 1.393 17628 612 1 2 . 1 1 17 17 SER H H 17 7.770 7.770 8.428 -0.658 17628 613 1 2 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.529 -0.177 17628 614 1 2 . 1 1 18 18 PRO C C 18 176.600 176.600 177.126 -0.526 17628 615 1 2 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.832 0.595 17628 616 1 2 . 1 1 18 18 PRO CB C 18 32.007 32.007 31.951 0.056 17628 617 1 2 . 1 1 19 19 HIS N N 19 113.110 113.110 115.563 -2.453 17628 618 1 2 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.592 0.086 17628 619 1 2 . 1 1 19 19 HIS C C 19 175.396 175.396 174.693 0.703 17628 620 1 2 . 1 1 19 19 HIS CA C 19 55.029 55.029 57.055 -2.026 17628 621 1 2 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.250 -0.842 17628 622 1 2 . 1 1 19 19 HIS H H 19 7.898 7.898 8.003 -0.105 17628 623 1 2 . 1 1 20 20 CYS N N 20 119.283 119.283 116.198 3.085 17628 624 1 2 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.739 -0.374 17628 625 1 2 . 1 1 20 20 CYS C C 20 174.956 174.956 174.277 0.679 17628 626 1 2 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.433 0.331 17628 627 1 2 . 1 1 20 20 CYS CB C 20 42.002 42.002 31.450 10.552 17628 628 1 2 . 1 1 20 20 CYS H H 20 7.305 7.305 7.695 -0.390 17628 629 1 2 . 1 1 21 21 LYS N N 21 124.199 124.199 121.924 2.275 17628 630 1 2 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.177 0.226 17628 631 1 2 . 1 1 21 21 LYS C C 21 175.650 175.650 177.440 -1.790 17628 632 1 2 . 1 1 21 21 LYS CA C 21 56.112 56.112 58.060 -1.948 17628 633 1 2 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.447 -0.281 17628 634 1 2 . 1 1 21 21 LYS H H 21 8.851 8.851 8.794 0.057 17628 635 1 2 . 1 1 22 22 GLY N N 22 108.943 108.943 106.341 2.602 17628 636 1 2 . 1 1 22 22 GLY C C 22 171.467 171.467 172.898 -1.431 17628 637 1 2 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.871 -1.434 17628 638 1 2 . 1 1 22 22 GLY H H 22 7.768 7.768 7.987 -0.219 17628 639 1 2 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.723 0.091 17628 640 1 2 . 1 1 23 23 PRO C C 23 177.578 177.578 175.776 1.802 17628 641 1 2 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.311 -0.101 17628 642 1 2 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.055 0.330 17628 643 1 2 . 1 1 24 24 THR N N 24 108.931 108.931 108.213 0.718 17628 644 1 2 . 1 1 24 24 THR HA H 24 5.358 5.358 4.944 0.414 17628 645 1 2 . 1 1 24 24 THR C C 24 173.043 173.043 173.656 -0.613 17628 646 1 2 . 1 1 24 24 THR CA C 24 59.041 59.041 60.579 -1.538 17628 647 1 2 . 1 1 24 24 THR CB C 24 73.255 73.255 71.610 1.645 17628 648 1 2 . 1 1 24 24 THR H H 24 7.599 7.599 8.041 -0.442 17628 649 1 2 . 1 1 25 25 CYS N N 25 115.152 115.152 120.357 -5.205 17628 650 1 2 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.816 0.050 17628 651 1 2 . 1 1 25 25 CYS C C 25 171.952 171.952 173.547 -1.595 17628 652 1 2 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.788 -4.301 17628 653 1 2 . 1 1 25 25 CYS CB C 25 46.385 46.385 31.122 15.263 17628 654 1 2 . 1 1 25 25 CYS H H 25 8.872 8.872 8.437 0.435 17628 655 1 2 . 1 1 26 26 ARG N N 26 119.551 119.551 124.921 -5.370 17628 656 1 2 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.403 1.174 17628 657 1 2 . 1 1 26 26 ARG C C 26 176.621 176.621 175.914 0.707 17628 658 1 2 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.825 -2.700 17628 659 1 2 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.076 2.512 17628 660 1 2 . 1 1 26 26 ARG H H 26 8.481 8.481 8.791 -0.310 17628 661 1 2 . 1 1 27 27 GLY N N 27 111.192 111.192 113.091 -1.899 17628 662 1 2 . 1 1 27 27 GLY C C 27 170.250 170.250 173.007 -2.757 17628 663 1 2 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.326 -0.193 17628 664 1 2 . 1 1 27 27 GLY H H 27 8.866 8.866 8.820 0.046 17628 665 1 2 . 1 1 28 28 ALA N N 28 123.763 123.763 121.711 2.052 17628 666 1 2 . 1 1 28 28 ALA HA H 28 4.413 4.413 5.061 -0.648 17628 667 1 2 . 1 1 28 28 ALA C C 28 177.525 177.525 176.002 1.523 17628 668 1 2 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.756 2.961 17628 669 1 2 . 1 1 28 28 ALA CB C 28 19.214 19.214 21.407 -2.193 17628 670 1 2 . 1 1 28 28 ALA H H 28 7.732 7.732 8.564 -0.832 17628 671 1 2 . 1 1 29 29 TRP N N 29 112.576 112.576 114.354 -1.778 17628 672 1 2 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.671 -0.031 17628 673 1 2 . 1 1 29 29 TRP C C 29 172.901 172.901 173.251 -0.350 17628 674 1 2 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.767 3.995 17628 675 1 2 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.242 0.364 17628 676 1 2 . 1 1 29 29 TRP H H 29 7.830 7.830 7.400 0.430 17628 677 1 2 . 1 1 30 30 CYS N N 30 116.421 116.421 121.056 -4.635 17628 678 1 2 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.475 0.419 17628 679 1 2 . 1 1 30 30 CYS C C 30 176.719 176.719 174.724 1.995 17628 680 1 2 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.240 -6.543 17628 681 1 2 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.152 11.103 17628 682 1 2 . 1 1 30 30 CYS H H 30 9.319 9.319 8.725 0.594 17628 683 1 2 . 1 1 31 31 THR N N 31 110.073 110.073 117.258 -7.185 17628 684 1 2 . 1 1 31 31 THR HA H 31 5.917 5.917 5.260 0.657 17628 685 1 2 . 1 1 31 31 THR C C 31 177.249 177.249 174.253 2.996 17628 686 1 2 . 1 1 31 31 THR CA C 31 59.845 59.845 59.957 -0.112 17628 687 1 2 . 1 1 31 31 THR CB C 31 72.586 72.586 69.983 2.603 17628 688 1 2 . 1 1 31 31 THR H H 31 8.936 8.936 9.278 -0.342 17628 689 1 2 . 1 1 32 32 VAL N N 32 122.685 122.685 121.010 1.675 17628 690 1 2 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.151 -0.389 17628 691 1 2 . 1 1 32 32 VAL C C 32 173.813 173.813 174.086 -0.273 17628 692 1 2 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.110 4.609 17628 693 1 2 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.698 0.174 17628 694 1 2 . 1 1 32 32 VAL H H 32 8.841 8.841 9.272 -0.431 17628 695 1 2 . 1 1 33 33 VAL N N 33 124.915 124.915 119.989 4.926 17628 696 1 2 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.910 -0.123 17628 697 1 2 . 1 1 33 33 VAL C C 33 174.014 174.014 174.372 -0.358 17628 698 1 2 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.459 0.003 17628 699 1 2 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.657 1.031 17628 700 1 2 . 1 1 33 33 VAL H H 33 9.047 9.047 8.729 0.318 17628 701 1 2 . 1 1 34 34 LEU N N 34 127.771 127.771 129.170 -1.399 17628 702 1 2 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.866 0.023 17628 703 1 2 . 1 1 34 34 LEU C C 34 175.433 175.433 175.833 -0.400 17628 704 1 2 . 1 1 34 34 LEU CA C 34 54.015 54.015 54.148 -0.133 17628 705 1 2 . 1 1 34 34 LEU CB C 34 44.427 44.427 42.183 2.244 17628 706 1 2 . 1 1 34 34 LEU H H 34 8.450 8.450 7.890 0.560 17628 707 1 2 . 1 1 35 35 VAL N N 35 125.904 125.904 127.878 -1.974 17628 708 1 2 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.259 0.117 17628 709 1 2 . 1 1 35 35 VAL C C 35 175.098 175.098 176.251 -1.153 17628 710 1 2 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.513 -0.212 17628 711 1 2 . 1 1 35 35 VAL CB C 35 34.190 34.190 32.449 1.741 17628 712 1 2 . 1 1 35 35 VAL H H 35 8.868 8.868 8.745 0.123 17628 713 1 2 . 1 1 36 36 ARG N N 36 127.282 127.282 129.173 -1.891 17628 714 1 2 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.565 -0.049 17628 715 1 2 . 1 1 36 36 ARG C C 36 175.068 175.068 176.000 -0.932 17628 716 1 2 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.279 0.245 17628 717 1 2 . 1 1 36 36 ARG CB C 36 31.603 31.603 27.961 3.642 17628 718 1 2 . 1 1 36 36 ARG H H 36 8.665 8.665 8.435 0.230 17628 719 1 2 . 1 1 37 37 GLU N N 37 124.628 124.628 121.033 3.595 17628 720 1 2 . 1 1 37 37 GLU HA H 37 4.398 4.398 3.939 0.459 17628 721 1 2 . 1 1 37 37 GLU C C 37 175.762 175.762 175.891 -0.129 17628 722 1 2 . 1 1 37 37 GLU CA C 37 55.477 55.477 58.999 -3.522 17628 723 1 2 . 1 1 37 37 GLU CB C 37 31.724 31.724 29.503 2.221 17628 724 1 2 . 1 1 37 37 GLU H H 37 8.458 8.458 8.512 -0.054 17628 725 1 2 . 1 1 38 38 GLU N N 38 123.236 123.236 121.010 2.226 17628 726 1 2 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.444 -0.416 17628 727 1 2 . 1 1 38 38 GLU C C 38 177.354 177.354 175.243 2.111 17628 728 1 2 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.198 1.726 17628 729 1 2 . 1 1 38 38 GLU CB C 38 29.270 29.270 30.094 -0.824 17628 730 1 2 . 1 1 38 38 GLU H H 38 8.628 8.628 8.263 0.365 17628 731 1 2 . 1 1 39 39 GLY N N 39 111.764 111.764 111.998 -0.234 17628 732 1 2 . 1 1 39 39 GLY C C 39 173.954 173.954 173.503 0.451 17628 733 1 2 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.790 -0.198 17628 734 1 2 . 1 1 39 39 GLY H H 39 8.670 8.670 8.224 0.446 17628 735 1 2 . 1 1 40 40 ARG N N 40 118.313 118.313 121.561 -3.248 17628 736 1 2 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.454 0.135 17628 737 1 2 . 1 1 40 40 ARG C C 40 175.874 175.874 173.775 2.099 17628 738 1 2 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.900 -2.315 17628 739 1 2 . 1 1 40 40 ARG CB C 40 32.502 32.502 30.657 1.845 17628 740 1 2 . 1 1 40 40 ARG H H 40 7.905 7.905 7.867 0.038 17628 741 1 2 . 1 1 41 41 HIS N N 41 120.013 120.013 121.546 -1.533 17628 742 1 2 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.740 0.115 17628 743 1 2 . 1 1 41 41 HIS C C 41 173.290 173.290 172.107 1.183 17628 744 1 2 . 1 1 41 41 HIS CA C 41 54.206 54.206 54.947 -0.741 17628 745 1 2 . 1 1 41 41 HIS CB C 41 28.189 28.189 33.581 -5.392 17628 746 1 2 . 1 1 41 41 HIS H H 41 8.512 8.512 7.948 0.564 17628 747 1 2 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.561 0.079 17628 748 1 2 . 1 1 42 42 PRO C C 42 175.777 175.777 175.177 0.600 17628 749 1 2 . 1 1 42 42 PRO CA C 42 63.520 63.520 63.003 0.517 17628 750 1 2 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.209 0.284 17628 751 1 2 . 1 1 43 43 GLN N N 43 120.474 120.474 123.767 -3.293 17628 752 1 2 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.590 0.007 17628 753 1 2 . 1 1 43 43 GLN C C 43 173.963 173.963 174.853 -0.890 17628 754 1 2 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.581 -0.097 17628 755 1 2 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.355 0.208 17628 756 1 2 . 1 1 43 43 GLN H H 43 8.524 8.524 8.335 0.189 17628 757 1 2 . 1 1 44 44 GLU N N 44 122.323 122.323 124.931 -2.608 17628 758 1 2 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.319 0.768 17628 759 1 2 . 1 1 44 44 GLU C C 44 175.650 175.650 175.553 0.097 17628 760 1 2 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.495 -1.060 17628 761 1 2 . 1 1 44 44 GLU CB C 44 31.538 31.538 28.987 2.551 17628 762 1 2 . 1 1 44 44 GLU H H 44 8.751 8.751 8.918 -0.167 17628 763 1 2 . 1 1 45 45 HIS N N 45 122.818 122.818 124.677 -1.859 17628 764 1 2 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.017 0.372 17628 765 1 2 . 1 1 45 45 HIS C C 45 174.918 174.918 174.710 0.208 17628 766 1 2 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.891 -1.733 17628 767 1 2 . 1 1 45 45 HIS CB C 45 33.390 33.390 29.767 3.623 17628 768 1 2 . 1 1 45 45 HIS H H 45 9.202 9.202 8.723 0.479 17628 769 1 2 . 1 1 46 46 ARG N N 46 122.260 122.260 123.562 -1.302 17628 770 1 2 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.039 0.178 17628 771 1 2 . 1 1 46 46 ARG C C 46 176.255 176.255 175.712 0.543 17628 772 1 2 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.940 -0.096 17628 773 1 2 . 1 1 46 46 ARG CB C 46 32.393 32.393 33.840 -1.448 17628 774 1 2 . 1 1 46 46 ARG H H 46 8.847 8.847 8.047 0.800 17628 775 1 2 . 1 1 47 47 GLY N N 47 114.135 114.135 106.871 7.264 17628 776 1 2 . 1 1 47 47 GLY C C 47 171.175 171.175 172.047 -0.872 17628 777 1 2 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.485 2.187 17628 778 1 2 . 1 1 47 47 GLY H H 47 8.210 8.210 8.313 -0.103 17628 779 1 2 . 1 1 48 48 CYS N N 48 118.698 118.698 121.067 -2.369 17628 780 1 2 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.493 -0.301 17628 781 1 2 . 1 1 48 48 CYS C C 48 173.522 173.522 176.007 -2.485 17628 782 1 2 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.744 1.856 17628 783 1 2 . 1 1 48 48 CYS CB C 48 44.933 44.933 27.318 17.615 17628 784 1 2 . 1 1 48 48 CYS H H 48 8.322 8.322 8.292 0.030 17628 785 1 2 . 1 1 49 49 GLY N N 49 112.213 112.213 111.957 0.256 17628 786 1 2 . 1 1 49 49 GLY C C 49 170.413 170.413 174.122 -3.709 17628 787 1 2 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.471 -2.367 17628 788 1 2 . 1 1 49 49 GLY H H 49 8.679 8.679 9.078 -0.399 17628 789 1 2 . 1 1 50 50 ASN N N 50 115.420 115.420 115.998 -0.578 17628 790 1 2 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.313 -0.285 17628 791 1 2 . 1 1 50 50 ASN C C 50 173.574 173.574 175.011 -1.437 17628 792 1 2 . 1 1 50 50 ASN CA C 50 54.381 54.381 55.538 -1.157 17628 793 1 2 . 1 1 50 50 ASN CB C 50 42.721 42.721 36.961 5.760 17628 794 1 2 . 1 1 50 50 ASN H H 50 8.103 8.103 8.169 -0.066 17628 795 1 2 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.250 0.405 17628 796 1 2 . 1 1 51 51 LEU C C 51 176.323 176.323 176.703 -0.380 17628 797 1 2 . 1 1 51 51 LEU CA C 51 54.399 54.399 55.403 -1.004 17628 798 1 2 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.761 3.845 17628 799 1 2 . 1 1 52 52 HIS N N 52 115.835 115.835 119.294 -3.459 17628 800 1 2 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.807 0.180 17628 801 1 2 . 1 1 52 52 HIS C C 52 176.442 176.442 174.737 1.705 17628 802 1 2 . 1 1 52 52 HIS CA C 52 55.983 55.983 56.282 -0.299 17628 803 1 2 . 1 1 52 52 HIS CB C 52 26.270 26.270 31.095 -4.825 17628 804 1 2 . 1 1 52 52 HIS H H 52 8.904 8.904 7.785 1.119 17628 805 1 2 . 1 1 53 53 ARG N N 53 124.169 124.169 126.244 -2.075 17628 806 1 2 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.444 -1.124 17628 807 1 2 . 1 1 53 53 ARG C C 53 177.862 177.862 177.678 0.184 17628 808 1 2 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.275 0.083 17628 809 1 2 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.816 -1.162 17628 810 1 2 . 1 1 53 53 ARG H H 53 8.876 8.876 8.907 -0.031 17628 811 1 2 . 1 1 54 54 GLU N N 54 118.465 118.465 120.755 -2.290 17628 812 1 2 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.050 -0.017 17628 813 1 2 . 1 1 54 54 GLU C C 54 177.704 177.704 177.954 -0.250 17628 814 1 2 . 1 1 54 54 GLU CA C 54 58.743 58.743 59.130 -0.387 17628 815 1 2 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.714 -1.770 17628 816 1 2 . 1 1 54 54 GLU H H 54 9.759 9.759 8.847 0.912 17628 817 1 2 . 1 1 55 55 LEU N N 55 120.238 120.238 112.550 7.688 17628 818 1 2 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.346 -0.290 17628 819 1 2 . 1 1 55 55 LEU C C 55 177.601 177.601 176.356 1.245 17628 820 1 2 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.091 0.791 17628 821 1 2 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.032 0.193 17628 822 1 2 . 1 1 55 55 LEU H H 55 7.351 7.351 7.961 -0.610 17628 823 1 2 . 1 1 56 56 CYS N N 56 115.234 115.234 117.927 -2.693 17628 824 1 2 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.124 0.137 17628 825 1 2 . 1 1 56 56 CYS C C 56 175.060 175.060 173.015 2.045 17628 826 1 2 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.833 -1.950 17628 827 1 2 . 1 1 56 56 CYS CB C 56 38.516 38.516 26.422 12.094 17628 828 1 2 . 1 1 56 56 CYS H H 56 7.640 7.640 7.838 -0.198 17628 829 1 2 . 1 1 57 57 ARG N N 57 119.272 119.272 120.048 -0.776 17628 830 1 2 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.355 0.129 17628 831 1 2 . 1 1 57 57 ARG C C 57 176.114 176.114 174.731 1.383 17628 832 1 2 . 1 1 57 57 ARG CA C 57 55.323 55.323 56.172 -0.849 17628 833 1 2 . 1 1 57 57 ARG CB C 57 31.650 31.650 31.588 0.062 17628 834 1 2 . 1 1 57 57 ARG H H 57 7.626 7.626 7.269 0.357 17628 835 1 2 . 1 1 58 58 GLY N N 58 108.813 108.813 109.836 -1.023 17628 836 1 2 . 1 1 58 58 GLY C C 58 173.663 173.663 173.724 -0.061 17628 837 1 2 . 1 1 58 58 GLY CA C 58 45.357 45.357 46.180 -0.823 17628 838 1 2 . 1 1 58 58 GLY H H 58 8.139 8.139 8.335 -0.196 17628 839 1 2 . 1 1 59 59 ARG N N 59 121.042 121.042 121.050 -0.008 17628 840 1 2 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.920 -0.164 17628 841 1 2 . 1 1 59 59 ARG C C 59 174.784 174.784 173.475 1.309 17628 842 1 2 . 1 1 59 59 ARG CA C 59 53.834 53.834 52.799 1.035 17628 843 1 2 . 1 1 59 59 ARG CB C 59 30.716 30.716 31.514 -0.798 17628 844 1 2 . 1 1 59 59 ARG H H 59 8.216 8.216 8.534 -0.318 17628 845 1 2 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.523 -0.049 17628 846 1 2 . 1 1 60 60 PRO C C 60 176.726 176.726 176.073 0.653 17628 847 1 2 . 1 1 60 60 PRO CA C 60 63.849 63.849 62.542 1.307 17628 848 1 2 . 1 1 60 60 PRO CB C 60 31.909 31.909 31.185 0.724 17628 849 1 2 . 1 1 61 61 THR N N 61 110.945 110.945 118.504 -7.559 17628 850 1 2 . 1 1 61 61 THR HA H 61 4.426 4.426 4.350 0.076 17628 851 1 2 . 1 1 61 61 THR C C 61 174.238 174.238 174.608 -0.370 17628 852 1 2 . 1 1 61 61 THR CA C 61 61.219 61.219 60.418 0.801 17628 853 1 2 . 1 1 61 61 THR CB C 61 70.449 70.449 69.808 0.641 17628 854 1 2 . 1 1 61 61 THR H H 61 7.940 7.940 7.561 0.379 17628 855 1 2 . 1 1 62 62 GLU N N 62 119.936 119.936 119.607 0.329 17628 856 1 2 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.298 -0.128 17628 857 1 2 . 1 1 62 62 GLU C C 62 175.889 175.889 178.936 -3.047 17628 858 1 2 . 1 1 62 62 GLU CA C 62 57.090 57.090 57.739 -0.649 17628 859 1 2 . 1 1 62 62 GLU CB C 62 30.109 30.109 30.059 0.050 17628 860 1 2 . 1 1 62 62 GLU H H 62 8.342 8.342 8.427 -0.085 17628 861 1 2 . 1 1 63 63 PHE N N 63 117.934 117.934 116.334 1.600 17628 862 1 2 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.319 0.280 17628 863 1 2 . 1 1 63 63 PHE C C 63 175.367 175.367 174.717 0.650 17628 864 1 2 . 1 1 63 63 PHE CA C 63 58.150 58.150 59.403 -1.253 17628 865 1 2 . 1 1 63 63 PHE CB C 63 39.511 39.511 38.556 0.956 17628 866 1 2 . 1 1 63 63 PHE H H 63 8.137 8.137 8.088 0.049 17628 867 1 2 . 1 1 64 64 VAL N N 64 120.294 120.294 118.088 2.206 17628 868 1 2 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.358 0.025 17628 869 1 2 . 1 1 64 64 VAL C C 64 174.649 174.649 174.216 0.433 17628 870 1 2 . 1 1 64 64 VAL CA C 64 62.287 62.287 59.804 2.483 17628 871 1 2 . 1 1 64 64 VAL CB C 64 33.405 33.405 35.036 -1.631 17628 872 1 2 . 1 1 64 64 VAL H H 64 7.792 7.792 6.876 0.916 17628 873 1 2 . 1 1 65 65 ASN N N 65 121.166 121.166 123.840 -2.674 17628 874 1 2 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.594 0.303 17628 875 1 2 . 1 1 65 65 ASN C C 65 173.716 173.716 173.770 -0.054 17628 876 1 2 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.694 1.214 17628 877 1 2 . 1 1 65 65 ASN CB C 65 40.357 40.357 39.500 0.857 17628 878 1 2 . 1 1 65 65 ASN H H 65 8.455 8.455 8.350 0.105 17628 879 1 2 . 1 1 66 66 HIS N N 66 121.303 121.303 120.750 0.553 17628 880 1 2 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.804 -0.753 17628 881 1 2 . 1 1 66 66 HIS C C 66 172.730 172.730 173.944 -1.214 17628 882 1 2 . 1 1 66 66 HIS CA C 66 55.764 55.764 54.090 1.674 17628 883 1 2 . 1 1 66 66 HIS CB C 66 31.856 31.856 30.761 1.095 17628 884 1 2 . 1 1 66 66 HIS H H 66 8.128 8.128 7.697 0.431 17628 885 1 2 . 1 1 67 67 TYR N N 67 125.626 125.626 122.208 3.418 17628 886 1 2 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.764 0.173 17628 887 1 2 . 1 1 67 67 TYR C C 67 174.178 174.178 172.949 1.229 17628 888 1 2 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.401 -0.220 17628 889 1 2 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.885 0.262 17628 890 1 2 . 1 1 67 67 TYR H H 67 9.065 9.065 8.844 0.221 17628 891 1 2 . 1 1 68 68 CYS N N 68 123.801 123.801 123.026 0.775 17628 892 1 2 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.289 0.510 17628 893 1 2 . 1 1 68 68 CYS C C 68 171.347 171.347 173.508 -2.161 17628 894 1 2 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.544 -4.649 17628 895 1 2 . 1 1 68 68 CYS CB C 68 45.198 45.198 29.198 16.000 17628 896 1 2 . 1 1 68 68 CYS H H 68 7.902 7.902 7.661 0.241 17628 897 1 2 . 1 1 69 69 CYS N N 69 115.715 115.715 121.229 -5.514 17628 898 1 2 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.532 0.250 17628 899 1 2 . 1 1 69 69 CYS C C 69 173.552 173.552 173.492 0.060 17628 900 1 2 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.961 -3.965 17628 901 1 2 . 1 1 69 69 CYS CB C 69 44.900 44.900 31.214 13.686 17628 902 1 2 . 1 1 69 69 CYS H H 69 8.843 8.843 8.765 0.078 17628 903 1 2 . 1 1 70 70 ASP N N 70 120.487 120.487 124.054 -3.567 17628 904 1 2 . 1 1 70 70 ASP HA H 70 5.164 5.164 5.031 0.133 17628 905 1 2 . 1 1 70 70 ASP C C 70 174.507 174.507 174.561 -0.054 17628 906 1 2 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.052 0.775 17628 907 1 2 . 1 1 70 70 ASP CB C 70 42.481 42.481 40.637 1.844 17628 908 1 2 . 1 1 70 70 ASP H H 70 8.531 8.531 8.785 -0.254 17628 909 1 2 . 1 1 71 71 SER N N 71 113.179 113.179 115.034 -1.855 17628 910 1 2 . 1 1 71 71 SER HA H 71 4.896 4.896 4.433 0.463 17628 911 1 2 . 1 1 71 71 SER C C 71 173.387 173.387 172.719 0.668 17628 912 1 2 . 1 1 71 71 SER CA C 71 57.709 57.709 57.287 0.422 17628 913 1 2 . 1 1 71 71 SER CB C 71 66.587 66.587 65.570 1.017 17628 914 1 2 . 1 1 71 71 SER H H 71 7.641 7.641 7.641 0.000 17628 915 1 2 . 1 1 72 72 HIS N N 72 119.348 119.348 121.799 -2.451 17628 916 1 2 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.369 0.169 17628 917 1 2 . 1 1 72 72 HIS C C 72 176.173 176.173 176.051 0.122 17628 918 1 2 . 1 1 72 72 HIS CA C 72 58.734 58.734 57.195 1.539 17628 919 1 2 . 1 1 72 72 HIS CB C 72 31.776 31.776 30.157 1.619 17628 920 1 2 . 1 1 72 72 HIS H H 72 8.308 8.308 8.458 -0.150 17628 921 1 2 . 1 1 73 73 LEU N N 73 123.124 123.124 120.071 3.053 17628 922 1 2 . 1 1 73 73 LEU HA H 73 3.768 3.768 4.079 -0.311 17628 923 1 2 . 1 1 73 73 LEU C C 73 178.572 178.572 176.455 2.117 17628 924 1 2 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.568 1.034 17628 925 1 2 . 1 1 73 73 LEU CB C 73 40.002 40.002 38.586 1.416 17628 926 1 2 . 1 1 73 73 LEU H H 73 9.769 9.769 8.897 0.872 17628 927 1 2 . 1 1 74 74 CYS N N 74 116.789 116.789 118.549 -1.760 17628 928 1 2 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.445 -0.023 17628 929 1 2 . 1 1 74 74 CYS C C 74 174.644 174.644 176.336 -1.692 17628 930 1 2 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.851 -1.291 17628 931 1 2 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.023 16.245 17628 932 1 2 . 1 1 74 74 CYS H H 74 8.488 8.488 8.064 0.424 17628 933 1 2 . 1 1 75 75 ASN N N 75 118.193 118.193 118.374 -0.181 17628 934 1 2 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.571 -0.153 17628 935 1 2 . 1 1 75 75 ASN C C 75 175.216 175.216 175.567 -0.351 17628 936 1 2 . 1 1 75 75 ASN CA C 75 52.578 52.578 54.542 -1.964 17628 937 1 2 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.995 -0.382 17628 938 1 2 . 1 1 75 75 ASN H H 75 8.432 8.432 7.865 0.567 17628 939 1 2 . 1 1 76 76 HIS N N 76 120.329 120.329 118.219 2.110 17628 940 1 2 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.501 -0.334 17628 941 1 2 . 1 1 76 76 HIS C C 76 174.631 174.631 174.734 -0.103 17628 942 1 2 . 1 1 76 76 HIS CA C 76 59.328 59.328 58.133 1.195 17628 943 1 2 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.928 -0.220 17628 944 1 2 . 1 1 76 76 HIS H H 76 7.768 7.768 8.501 -0.733 17628 945 1 2 . 1 1 77 77 ASN N N 77 115.167 115.167 116.162 -0.995 17628 946 1 2 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.739 -0.181 17628 947 1 2 . 1 1 77 77 ASN C C 77 174.522 174.522 174.437 0.085 17628 948 1 2 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.861 0.003 17628 949 1 2 . 1 1 77 77 ASN CB C 77 38.719 38.719 39.638 -0.919 17628 950 1 2 . 1 1 77 77 ASN H H 77 8.457 8.457 7.633 0.824 17628 951 1 2 . 1 1 78 78 VAL N N 78 119.202 119.202 120.112 -0.910 17628 952 1 2 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.408 -0.565 17628 953 1 2 . 1 1 78 78 VAL C C 78 174.709 174.709 175.735 -1.026 17628 954 1 2 . 1 1 78 78 VAL CA C 78 62.643 62.643 62.254 0.389 17628 955 1 2 . 1 1 78 78 VAL CB C 78 33.309 33.309 33.178 0.131 17628 956 1 2 . 1 1 78 78 VAL H H 78 6.691 6.691 7.451 -0.760 17628 957 1 2 . 1 1 79 79 SER HA H 79 4.846 4.846 4.844 0.002 17628 958 1 2 . 1 1 79 79 SER C C 79 174.082 174.082 173.818 0.264 17628 959 1 2 . 1 1 79 79 SER CA C 79 56.222 56.222 57.581 -1.359 17628 960 1 2 . 1 1 79 79 SER CB C 79 64.855 64.855 64.300 0.555 17628 961 1 2 . 1 1 80 80 LEU N N 80 126.815 126.815 125.112 1.703 17628 962 1 2 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.163 0.197 17628 963 1 2 . 1 1 80 80 LEU C C 80 176.897 176.897 176.962 -0.065 17628 964 1 2 . 1 1 80 80 LEU CA C 80 54.300 54.300 56.280 -1.980 17628 965 1 2 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.678 -0.007 17628 966 1 2 . 1 1 80 80 LEU H H 80 9.623 9.623 8.412 1.211 17628 967 1 2 . 1 1 81 81 VAL N N 81 117.921 117.921 112.698 5.223 17628 968 1 2 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.646 0.298 17628 969 1 2 . 1 1 81 81 VAL C C 81 175.889 175.889 176.557 -0.668 17628 970 1 2 . 1 1 81 81 VAL CA C 81 62.536 62.536 62.997 -0.461 17628 971 1 2 . 1 1 81 81 VAL CB C 81 32.869 32.869 29.942 2.927 17628 972 1 2 . 1 1 81 81 VAL H H 81 7.824 7.824 8.379 -0.555 17628 973 1 2 . 1 1 82 82 LEU N N 82 124.533 124.533 121.532 3.001 17628 974 1 2 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.045 0.246 17628 975 1 2 . 1 1 82 82 LEU C C 82 177.197 177.197 177.800 -0.603 17628 976 1 2 . 1 1 82 82 LEU CA C 82 55.131 55.131 56.890 -1.759 17628 977 1 2 . 1 1 82 82 LEU CB C 82 42.291 42.291 41.676 0.615 17628 978 1 2 . 1 1 82 82 LEU H H 82 8.059 8.059 8.390 -0.331 17628 979 1 2 . 1 1 83 83 GLU N N 83 120.926 120.926 119.653 1.273 17628 980 1 2 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.187 -0.005 17628 981 1 2 . 1 1 83 83 GLU C C 83 175.897 175.897 176.423 -0.526 17628 982 1 2 . 1 1 83 83 GLU CA C 83 56.515 56.515 56.049 0.466 17628 983 1 2 . 1 1 83 83 GLU CB C 83 30.167 30.167 29.200 0.967 17628 984 1 2 . 1 1 83 83 GLU H H 83 8.047 8.047 8.163 -0.116 17628 985 1 2 . 1 1 84 84 ALA N N 84 124.350 124.350 120.189 4.161 17628 986 1 2 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.042 0.262 17628 987 1 2 . 1 1 84 84 ALA C C 84 177.704 177.704 176.436 1.268 17628 988 1 2 . 1 1 84 84 ALA CA C 84 52.535 52.535 53.486 -0.951 17628 989 1 2 . 1 1 84 84 ALA CB C 84 19.334 19.334 17.264 2.070 17628 990 1 2 . 1 1 84 84 ALA H H 84 8.162 8.162 7.701 0.461 17628 991 1 2 . 1 1 85 85 THR N N 85 112.934 112.934 111.424 1.510 17628 992 1 2 . 1 1 85 85 THR HA H 85 4.264 4.264 4.582 -0.318 17628 993 1 2 . 1 1 85 85 THR C C 85 174.231 174.231 173.459 0.772 17628 994 1 2 . 1 1 85 85 THR CA C 85 61.831 61.831 62.408 -0.577 17628 995 1 2 . 1 1 85 85 THR CB C 85 69.955 69.955 70.072 -0.117 17628 996 1 2 . 1 1 85 85 THR H H 85 7.981 7.981 7.997 -0.016 17628 997 1 2 . 1 1 86 86 GLN N N 86 123.516 123.516 122.772 0.744 17628 998 1 2 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.589 0.021 17628 999 1 2 . 1 1 86 86 GLN C C 86 173.352 173.352 173.608 -0.256 17628 1000 1 2 . 1 1 86 86 GLN CA C 86 53.606 53.606 52.428 1.179 17628 1001 1 2 . 1 1 86 86 GLN CB C 86 29.094 29.094 30.682 -1.588 17628 1002 1 2 . 1 1 86 86 GLN H H 86 8.217 8.217 7.832 0.385 17628 1003 1 2 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.638 -0.225 17628 1004 1 2 . 1 1 88 88 PRO C C 88 176.930 176.930 175.850 1.080 17628 1005 1 2 . 1 1 88 88 PRO CA C 88 63.105 63.105 61.866 1.239 17628 1006 1 2 . 1 1 88 88 PRO CB C 88 32.160 32.160 33.931 -1.771 17628 1007 1 2 . 1 1 89 89 SER N N 89 116.298 116.298 114.193 2.105 17628 1008 1 2 . 1 1 89 89 SER HA H 89 4.419 4.419 4.602 -0.183 17628 1009 1 2 . 1 1 89 89 SER C C 89 174.469 174.469 173.179 1.290 17628 1010 1 2 . 1 1 89 89 SER CA C 89 58.378 58.378 58.894 -0.516 17628 1011 1 2 . 1 1 89 89 SER CB C 89 63.995 63.995 65.473 -1.478 17628 1012 1 2 . 1 1 89 89 SER H H 89 8.358 8.358 8.765 -0.407 17628 1013 1 2 . 1 1 90 90 GLU N N 90 122.340 122.340 121.287 1.053 17628 1014 1 2 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.518 0.129 17628 1015 1 2 . 1 1 90 90 GLU C C 90 175.971 175.971 173.984 1.987 17628 1016 1 2 . 1 1 90 90 GLU CA C 90 56.350 56.350 55.914 0.436 17628 1017 1 2 . 1 1 90 90 GLU CB C 90 30.349 30.349 32.085 -1.736 17628 1018 1 2 . 1 1 90 90 GLU H H 90 8.338 8.338 7.932 0.406 17628 1019 1 2 . 1 1 91 91 GLN N N 91 122.043 122.043 124.576 -2.533 17628 1020 1 2 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.707 -0.104 17628 1021 1 2 . 1 1 91 91 GLN C C 91 173.879 173.879 174.215 -0.336 17628 1022 1 2 . 1 1 91 91 GLN CA C 91 53.624 53.624 52.887 0.737 17628 1023 1 2 . 1 1 91 91 GLN CB C 91 29.090 29.090 30.074 -0.984 17628 1024 1 2 . 1 1 91 91 GLN H H 91 8.317 8.317 8.420 -0.103 17628 1025 1 2 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.406 0.011 17628 1026 1 2 . 1 1 92 92 PRO C C 92 177.488 177.488 176.405 1.083 17628 1027 1 2 . 1 1 92 92 PRO CA C 92 63.383 63.383 63.272 0.112 17628 1028 1 2 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.277 -0.124 17628 1029 1 2 . 1 1 93 93 GLY N N 93 109.201 109.201 108.201 1.000 17628 1030 1 2 . 1 1 93 93 GLY C C 93 174.619 174.619 172.427 2.192 17628 1031 1 2 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.937 0.406 17628 1032 1 2 . 1 1 93 93 GLY H H 93 8.480 8.480 7.505 0.975 17628 1033 1 2 . 1 1 94 94 THR N N 94 112.828 112.828 113.480 -0.652 17628 1034 1 2 . 1 1 94 94 THR HA H 94 4.356 4.356 4.009 0.347 17628 1035 1 2 . 1 1 94 94 THR C C 94 174.510 174.510 172.514 1.996 17628 1036 1 2 . 1 1 94 94 THR CA C 94 61.816 61.816 62.526 -0.710 17628 1037 1 2 . 1 1 94 94 THR CB C 94 69.913 69.913 69.084 0.829 17628 1038 1 2 . 1 1 94 94 THR H H 94 8.044 8.044 8.208 -0.164 17628 1039 1 2 . 1 1 95 95 ASP N N 95 122.173 122.173 125.951 -3.778 17628 1040 1 2 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.758 -0.152 17628 1041 1 2 . 1 1 95 95 ASP C C 95 176.584 176.584 176.085 0.499 17628 1042 1 2 . 1 1 95 95 ASP CA C 95 54.631 54.631 53.625 1.006 17628 1043 1 2 . 1 1 95 95 ASP CB C 95 41.067 41.067 41.745 -0.677 17628 1044 1 2 . 1 1 95 95 ASP H H 95 8.413 8.413 8.645 -0.232 17628 1045 1 2 . 1 1 96 96 GLY N N 96 109.220 109.220 107.932 1.288 17628 1046 1 2 . 1 1 96 96 GLY C C 96 173.454 173.454 172.888 0.566 17628 1047 1 2 . 1 1 96 96 GLY CA C 96 45.665 45.665 44.717 0.948 17628 1048 1 2 . 1 1 96 96 GLY H H 96 8.290 8.290 8.097 0.193 17628 1049 1 3 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.416 -0.007 17628 1050 1 3 . 1 1 2 2 PRO C C 2 176.726 176.726 177.053 -0.327 17628 1051 1 3 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.991 0.030 17628 1052 1 3 . 1 1 2 2 PRO CB C 2 32.135 32.135 31.791 0.344 17628 1053 1 3 . 1 1 3 3 VAL N N 3 120.494 120.494 120.250 0.244 17628 1054 1 3 . 1 1 3 3 VAL HA H 3 3.994 3.994 3.921 0.073 17628 1055 1 3 . 1 1 3 3 VAL C C 3 175.979 175.979 175.867 0.112 17628 1056 1 3 . 1 1 3 3 VAL CA C 3 62.467 62.467 62.123 0.344 17628 1057 1 3 . 1 1 3 3 VAL CB C 3 32.545 32.545 33.015 -0.470 17628 1058 1 3 . 1 1 3 3 VAL H H 3 8.140 8.140 8.060 0.080 17628 1059 1 3 . 1 1 4 4 LYS N N 4 126.411 126.411 122.607 3.804 17628 1060 1 3 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.612 -0.028 17628 1061 1 3 . 1 1 4 4 LYS C C 4 174.350 174.350 174.776 -0.426 17628 1062 1 3 . 1 1 4 4 LYS CA C 4 54.055 54.055 53.878 0.177 17628 1063 1 3 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.644 0.935 17628 1064 1 3 . 1 1 4 4 LYS H H 4 8.276 8.276 8.332 -0.056 17628 1065 1 3 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.463 -0.038 17628 1066 1 3 . 1 1 5 5 PRO C C 5 176.929 176.929 175.840 1.089 17628 1067 1 3 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.064 0.131 17628 1068 1 3 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.809 0.279 17628 1069 1 3 . 1 1 6 6 SER N N 6 115.564 115.564 114.730 0.834 17628 1070 1 3 . 1 1 6 6 SER HA H 6 4.379 4.379 4.301 0.078 17628 1071 1 3 . 1 1 6 6 SER C C 6 174.458 174.458 172.692 1.766 17628 1072 1 3 . 1 1 6 6 SER CA C 6 58.418 58.418 58.141 0.277 17628 1073 1 3 . 1 1 6 6 SER CB C 6 63.981 63.981 63.139 0.842 17628 1074 1 3 . 1 1 6 6 SER H H 6 8.283 8.283 7.860 0.423 17628 1075 1 3 . 1 1 7 7 ARG N N 7 122.599 122.599 120.568 2.031 17628 1076 1 3 . 1 1 7 7 ARG HA H 7 4.424 4.424 4.521 -0.097 17628 1077 1 3 . 1 1 7 7 ARG C C 7 176.216 176.216 175.175 1.041 17628 1078 1 3 . 1 1 7 7 ARG CA C 7 56.083 56.083 55.594 0.489 17628 1079 1 3 . 1 1 7 7 ARG CB C 7 31.142 31.142 32.341 -1.199 17628 1080 1 3 . 1 1 7 7 ARG H H 7 8.321 8.321 7.584 0.737 17628 1081 1 3 . 1 1 8 8 GLY N N 8 110.092 110.092 113.148 -3.056 17628 1082 1 3 . 1 1 8 8 GLY C C 8 171.536 171.536 172.549 -1.013 17628 1083 1 3 . 1 1 8 8 GLY CA C 8 44.474 44.474 45.825 -1.351 17628 1084 1 3 . 1 1 8 8 GLY H H 8 8.248 8.248 8.284 -0.036 17628 1085 1 3 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.535 -0.110 17628 1086 1 3 . 1 1 9 9 PRO C C 9 176.675 176.675 175.970 0.705 17628 1087 1 3 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.280 0.920 17628 1088 1 3 . 1 1 9 9 PRO CB C 9 32.242 32.242 29.934 2.308 17628 1089 1 3 . 1 1 10 10 LEU N N 10 120.335 120.335 120.938 -0.603 17628 1090 1 3 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.194 0.321 17628 1091 1 3 . 1 1 10 10 LEU C C 10 176.413 176.413 177.235 -0.822 17628 1092 1 3 . 1 1 10 10 LEU CA C 10 54.400 54.400 55.161 -0.761 17628 1093 1 3 . 1 1 10 10 LEU CB C 10 43.946 43.946 41.287 2.659 17628 1094 1 3 . 1 1 10 10 LEU H H 10 8.018 8.018 7.879 0.139 17628 1095 1 3 . 1 1 11 11 VAL N N 11 120.543 120.543 125.377 -4.834 17628 1096 1 3 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.296 0.159 17628 1097 1 3 . 1 1 11 11 VAL C C 11 174.141 174.141 175.636 -1.495 17628 1098 1 3 . 1 1 11 11 VAL CA C 11 60.268 60.268 60.965 -0.697 17628 1099 1 3 . 1 1 11 11 VAL CB C 11 35.006 35.006 31.979 3.027 17628 1100 1 3 . 1 1 11 11 VAL H H 11 9.111 9.111 8.138 0.973 17628 1101 1 3 . 1 1 12 12 THR N N 12 120.707 120.707 124.312 -3.605 17628 1102 1 3 . 1 1 12 12 THR HA H 12 4.883 4.883 4.838 0.045 17628 1103 1 3 . 1 1 12 12 THR C C 12 173.103 173.103 174.129 -1.026 17628 1104 1 3 . 1 1 12 12 THR CA C 12 62.760 62.760 64.054 -1.294 17628 1105 1 3 . 1 1 12 12 THR CB C 12 69.037 69.037 69.438 -0.401 17628 1106 1 3 . 1 1 12 12 THR H H 12 8.886 8.886 8.641 0.245 17628 1107 1 3 . 1 1 13 13 CYS N N 13 124.651 124.651 124.184 0.467 17628 1108 1 3 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.931 -0.049 17628 1109 1 3 . 1 1 13 13 CYS C C 13 174.463 174.463 175.174 -0.711 17628 1110 1 3 . 1 1 13 13 CYS CA C 13 52.122 52.122 57.905 -5.783 17628 1111 1 3 . 1 1 13 13 CYS CB C 13 42.407 42.407 32.272 10.136 17628 1112 1 3 . 1 1 13 13 CYS H H 13 9.165 9.165 9.318 -0.153 17628 1113 1 3 . 1 1 14 14 THR N N 14 121.496 121.496 119.547 1.949 17628 1114 1 3 . 1 1 14 14 THR HA H 14 4.001 4.001 4.082 -0.081 17628 1115 1 3 . 1 1 14 14 THR C C 14 172.453 172.453 173.934 -1.481 17628 1116 1 3 . 1 1 14 14 THR CA C 14 66.024 66.024 63.564 2.460 17628 1117 1 3 . 1 1 14 14 THR CB C 14 69.319 69.319 67.681 1.638 17628 1118 1 3 . 1 1 14 14 THR H H 14 8.931 8.931 8.732 0.199 17628 1119 1 3 . 1 1 15 15 CYS N N 15 129.296 129.296 126.559 2.737 17628 1120 1 3 . 1 1 15 15 CYS HA H 15 5.034 5.034 4.820 0.214 17628 1121 1 3 . 1 1 15 15 CYS C C 15 174.111 174.111 174.216 -0.105 17628 1122 1 3 . 1 1 15 15 CYS CA C 15 57.007 57.007 59.459 -2.452 17628 1123 1 3 . 1 1 15 15 CYS CB C 15 37.153 37.153 28.461 8.692 17628 1124 1 3 . 1 1 15 15 CYS H H 15 8.227 8.227 8.328 -0.101 17628 1125 1 3 . 1 1 16 16 GLU N N 16 127.625 127.625 125.434 2.191 17628 1126 1 3 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.639 -0.126 17628 1127 1 3 . 1 1 16 16 GLU C C 16 173.185 173.185 175.154 -1.969 17628 1128 1 3 . 1 1 16 16 GLU CA C 16 56.082 56.082 55.843 0.239 17628 1129 1 3 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.622 0.428 17628 1130 1 3 . 1 1 16 16 GLU H H 16 9.106 9.106 8.376 0.730 17628 1131 1 3 . 1 1 17 17 SER N N 17 123.384 123.384 116.903 6.481 17628 1132 1 3 . 1 1 17 17 SER HA H 17 4.503 4.503 4.043 0.460 17628 1133 1 3 . 1 1 17 17 SER C C 17 172.946 172.946 171.904 1.042 17628 1134 1 3 . 1 1 17 17 SER CA C 17 57.341 57.341 59.628 -2.287 17628 1135 1 3 . 1 1 17 17 SER CB C 17 63.379 63.379 62.370 1.009 17628 1136 1 3 . 1 1 17 17 SER H H 17 7.770 7.770 8.687 -0.917 17628 1137 1 3 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.494 -0.142 17628 1138 1 3 . 1 1 18 18 PRO C C 18 176.600 176.600 177.291 -0.691 17628 1139 1 3 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.931 0.496 17628 1140 1 3 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.097 -0.090 17628 1141 1 3 . 1 1 19 19 HIS N N 19 113.110 113.110 117.345 -4.235 17628 1142 1 3 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.673 0.005 17628 1143 1 3 . 1 1 19 19 HIS C C 19 175.396 175.396 174.998 0.398 17628 1144 1 3 . 1 1 19 19 HIS CA C 19 55.029 55.029 57.117 -2.088 17628 1145 1 3 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.199 -0.791 17628 1146 1 3 . 1 1 19 19 HIS H H 19 7.898 7.898 7.831 0.067 17628 1147 1 3 . 1 1 20 20 CYS N N 20 119.283 119.283 117.417 1.866 17628 1148 1 3 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.681 -0.317 17628 1149 1 3 . 1 1 20 20 CYS C C 20 174.956 174.956 174.483 0.473 17628 1150 1 3 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.963 -0.199 17628 1151 1 3 . 1 1 20 20 CYS CB C 20 42.002 42.002 30.695 11.307 17628 1152 1 3 . 1 1 20 20 CYS H H 20 7.305 7.305 7.892 -0.587 17628 1153 1 3 . 1 1 21 21 LYS N N 21 124.199 124.199 122.692 1.507 17628 1154 1 3 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.323 0.080 17628 1155 1 3 . 1 1 21 21 LYS C C 21 175.650 175.650 176.530 -0.880 17628 1156 1 3 . 1 1 21 21 LYS CA C 21 56.112 56.112 56.238 -0.126 17628 1157 1 3 . 1 1 21 21 LYS CB C 21 32.166 32.166 30.632 1.534 17628 1158 1 3 . 1 1 21 21 LYS H H 21 8.851 8.851 8.726 0.125 17628 1159 1 3 . 1 1 22 22 GLY N N 22 108.943 108.943 107.983 0.960 17628 1160 1 3 . 1 1 22 22 GLY C C 22 171.467 171.467 172.577 -1.110 17628 1161 1 3 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.572 -1.135 17628 1162 1 3 . 1 1 22 22 GLY H H 22 7.768 7.768 7.583 0.185 17628 1163 1 3 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.714 0.100 17628 1164 1 3 . 1 1 23 23 PRO C C 23 177.578 177.578 175.619 1.959 17628 1165 1 3 . 1 1 23 23 PRO CA C 23 64.210 64.210 63.559 0.651 17628 1166 1 3 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.925 -0.540 17628 1167 1 3 . 1 1 24 24 THR N N 24 108.931 108.931 109.566 -0.635 17628 1168 1 3 . 1 1 24 24 THR HA H 24 5.358 5.358 4.834 0.524 17628 1169 1 3 . 1 1 24 24 THR C C 24 173.043 173.043 173.810 -0.767 17628 1170 1 3 . 1 1 24 24 THR CA C 24 59.041 59.041 59.906 -0.865 17628 1171 1 3 . 1 1 24 24 THR CB C 24 73.255 73.255 71.744 1.511 17628 1172 1 3 . 1 1 24 24 THR H H 24 7.599 7.599 7.835 -0.236 17628 1173 1 3 . 1 1 25 25 CYS N N 25 115.152 115.152 118.319 -3.167 17628 1174 1 3 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.856 0.010 17628 1175 1 3 . 1 1 25 25 CYS C C 25 171.952 171.952 173.033 -1.081 17628 1176 1 3 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.898 -4.411 17628 1177 1 3 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.652 15.733 17628 1178 1 3 . 1 1 25 25 CYS H H 25 8.872 8.872 8.614 0.258 17628 1179 1 3 . 1 1 26 26 ARG N N 26 119.551 119.551 123.558 -4.007 17628 1180 1 3 . 1 1 26 26 ARG HA H 26 5.577 5.577 5.104 0.473 17628 1181 1 3 . 1 1 26 26 ARG C C 26 176.621 176.621 174.938 1.683 17628 1182 1 3 . 1 1 26 26 ARG CA C 26 54.125 54.125 54.707 -0.582 17628 1183 1 3 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.025 2.563 17628 1184 1 3 . 1 1 26 26 ARG H H 26 8.481 8.481 8.396 0.085 17628 1185 1 3 . 1 1 27 27 GLY N N 27 111.192 111.192 109.784 1.408 17628 1186 1 3 . 1 1 27 27 GLY C C 27 170.250 170.250 173.363 -3.113 17628 1187 1 3 . 1 1 27 27 GLY CA C 27 45.133 45.133 44.625 0.508 17628 1188 1 3 . 1 1 27 27 GLY H H 27 8.866 8.866 8.296 0.570 17628 1189 1 3 . 1 1 28 28 ALA N N 28 123.763 123.763 121.871 1.892 17628 1190 1 3 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.461 -0.048 17628 1191 1 3 . 1 1 28 28 ALA C C 28 177.525 177.525 176.235 1.290 17628 1192 1 3 . 1 1 28 28 ALA CA C 28 54.717 54.717 52.372 2.345 17628 1193 1 3 . 1 1 28 28 ALA CB C 28 19.214 19.214 19.952 -0.738 17628 1194 1 3 . 1 1 28 28 ALA H H 28 7.732 7.732 8.372 -0.640 17628 1195 1 3 . 1 1 29 29 TRP N N 29 112.576 112.576 114.093 -1.517 17628 1196 1 3 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.749 -0.109 17628 1197 1 3 . 1 1 29 29 TRP C C 29 172.901 172.901 173.360 -0.459 17628 1198 1 3 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.637 4.125 17628 1199 1 3 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.449 0.157 17628 1200 1 3 . 1 1 29 29 TRP H H 29 7.830 7.830 7.127 0.703 17628 1201 1 3 . 1 1 30 30 CYS N N 30 116.421 116.421 121.889 -5.468 17628 1202 1 3 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.474 0.420 17628 1203 1 3 . 1 1 30 30 CYS C C 30 176.719 176.719 175.085 1.634 17628 1204 1 3 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.524 -6.827 17628 1205 1 3 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.376 10.879 17628 1206 1 3 . 1 1 30 30 CYS H H 30 9.319 9.319 8.741 0.578 17628 1207 1 3 . 1 1 31 31 THR N N 31 110.073 110.073 118.997 -8.924 17628 1208 1 3 . 1 1 31 31 THR HA H 31 5.917 5.917 5.651 0.266 17628 1209 1 3 . 1 1 31 31 THR C C 31 177.249 177.249 174.024 3.225 17628 1210 1 3 . 1 1 31 31 THR CA C 31 59.845 59.845 59.787 0.058 17628 1211 1 3 . 1 1 31 31 THR CB C 31 72.586 72.586 70.766 1.820 17628 1212 1 3 . 1 1 31 31 THR H H 31 8.936 8.936 9.309 -0.373 17628 1213 1 3 . 1 1 32 32 VAL N N 32 122.685 122.685 120.382 2.303 17628 1214 1 3 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.017 -0.255 17628 1215 1 3 . 1 1 32 32 VAL C C 32 173.813 173.813 174.112 -0.299 17628 1216 1 3 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.631 4.088 17628 1217 1 3 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.912 -0.040 17628 1218 1 3 . 1 1 32 32 VAL H H 32 8.841 8.841 9.210 -0.369 17628 1219 1 3 . 1 1 33 33 VAL N N 33 124.915 124.915 119.419 5.496 17628 1220 1 3 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.636 0.151 17628 1221 1 3 . 1 1 33 33 VAL C C 33 174.014 174.014 174.114 -0.100 17628 1222 1 3 . 1 1 33 33 VAL CA C 33 60.462 60.462 61.390 -0.928 17628 1223 1 3 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.354 1.334 17628 1224 1 3 . 1 1 33 33 VAL H H 33 9.047 9.047 8.258 0.789 17628 1225 1 3 . 1 1 34 34 LEU N N 34 127.771 127.771 129.356 -1.585 17628 1226 1 3 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.776 0.113 17628 1227 1 3 . 1 1 34 34 LEU C C 34 175.433 175.433 175.625 -0.192 17628 1228 1 3 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.818 0.197 17628 1229 1 3 . 1 1 34 34 LEU CB C 34 44.427 44.427 42.634 1.793 17628 1230 1 3 . 1 1 34 34 LEU H H 34 8.450 8.450 9.564 -1.114 17628 1231 1 3 . 1 1 35 35 VAL N N 35 125.904 125.904 128.670 -2.766 17628 1232 1 3 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.268 0.108 17628 1233 1 3 . 1 1 35 35 VAL C C 35 175.098 175.098 176.447 -1.349 17628 1234 1 3 . 1 1 35 35 VAL CA C 35 61.301 61.301 62.453 -1.152 17628 1235 1 3 . 1 1 35 35 VAL CB C 35 34.190 34.190 30.116 4.074 17628 1236 1 3 . 1 1 35 35 VAL H H 35 8.868 8.868 9.152 -0.284 17628 1237 1 3 . 1 1 36 36 ARG N N 36 127.282 127.282 128.405 -1.123 17628 1238 1 3 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.399 0.117 17628 1239 1 3 . 1 1 36 36 ARG C C 36 175.068 175.068 176.523 -1.455 17628 1240 1 3 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.907 -0.383 17628 1241 1 3 . 1 1 36 36 ARG CB C 36 31.603 31.603 29.682 1.921 17628 1242 1 3 . 1 1 36 36 ARG H H 36 8.665 8.665 9.147 -0.482 17628 1243 1 3 . 1 1 37 37 GLU N N 37 124.628 124.628 119.541 5.087 17628 1244 1 3 . 1 1 37 37 GLU HA H 37 4.398 4.398 3.828 0.570 17628 1245 1 3 . 1 1 37 37 GLU C C 37 175.762 175.762 175.577 0.185 17628 1246 1 3 . 1 1 37 37 GLU CA C 37 55.477 55.477 59.163 -3.686 17628 1247 1 3 . 1 1 37 37 GLU CB C 37 31.724 31.724 28.912 2.812 17628 1248 1 3 . 1 1 37 37 GLU H H 37 8.458 8.458 8.654 -0.196 17628 1249 1 3 . 1 1 38 38 GLU N N 38 123.236 123.236 120.355 2.881 17628 1250 1 3 . 1 1 38 38 GLU HA H 38 4.028 4.028 3.986 0.042 17628 1251 1 3 . 1 1 38 38 GLU C C 38 177.354 177.354 176.000 1.354 17628 1252 1 3 . 1 1 38 38 GLU CA C 38 57.924 57.924 55.631 2.293 17628 1253 1 3 . 1 1 38 38 GLU CB C 38 29.270 29.270 29.892 -0.622 17628 1254 1 3 . 1 1 38 38 GLU H H 38 8.628 8.628 8.044 0.584 17628 1255 1 3 . 1 1 39 39 GLY N N 39 111.764 111.764 111.675 0.089 17628 1256 1 3 . 1 1 39 39 GLY C C 39 173.954 173.954 173.777 0.177 17628 1257 1 3 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.843 -0.251 17628 1258 1 3 . 1 1 39 39 GLY H H 39 8.670 8.670 8.354 0.316 17628 1259 1 3 . 1 1 40 40 ARG N N 40 118.313 118.313 119.809 -1.496 17628 1260 1 3 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.452 0.137 17628 1261 1 3 . 1 1 40 40 ARG C C 40 175.874 175.874 175.064 0.810 17628 1262 1 3 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.444 -1.859 17628 1263 1 3 . 1 1 40 40 ARG CB C 40 32.502 32.502 32.522 -0.020 17628 1264 1 3 . 1 1 40 40 ARG H H 40 7.905 7.905 8.469 -0.564 17628 1265 1 3 . 1 1 41 41 HIS N N 41 120.013 120.013 118.433 1.580 17628 1266 1 3 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.863 -0.008 17628 1267 1 3 . 1 1 41 41 HIS C C 41 173.290 173.290 172.967 0.323 17628 1268 1 3 . 1 1 41 41 HIS CA C 41 54.206 54.206 52.562 1.644 17628 1269 1 3 . 1 1 41 41 HIS CB C 41 28.189 28.189 31.068 -2.879 17628 1270 1 3 . 1 1 41 41 HIS H H 41 8.512 8.512 8.125 0.387 17628 1271 1 3 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.336 0.304 17628 1272 1 3 . 1 1 42 42 PRO C C 42 175.777 175.777 175.751 0.026 17628 1273 1 3 . 1 1 42 42 PRO CA C 42 63.520 63.520 63.647 -0.127 17628 1274 1 3 . 1 1 42 42 PRO CB C 42 32.493 32.493 31.839 0.654 17628 1275 1 3 . 1 1 43 43 GLN N N 43 120.474 120.474 124.277 -3.803 17628 1276 1 3 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.606 -0.009 17628 1277 1 3 . 1 1 43 43 GLN C C 43 173.963 173.963 174.315 -0.352 17628 1278 1 3 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.623 -0.139 17628 1279 1 3 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.032 0.531 17628 1280 1 3 . 1 1 43 43 GLN H H 43 8.524 8.524 8.681 -0.157 17628 1281 1 3 . 1 1 44 44 GLU N N 44 122.323 122.323 126.679 -4.356 17628 1282 1 3 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.466 0.621 17628 1283 1 3 . 1 1 44 44 GLU C C 44 175.650 175.650 175.523 0.127 17628 1284 1 3 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.067 -0.632 17628 1285 1 3 . 1 1 44 44 GLU CB C 44 31.538 31.538 30.146 1.392 17628 1286 1 3 . 1 1 44 44 GLU H H 44 8.751 8.751 8.862 -0.111 17628 1287 1 3 . 1 1 45 45 HIS N N 45 122.818 122.818 126.221 -3.403 17628 1288 1 3 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.005 0.384 17628 1289 1 3 . 1 1 45 45 HIS C C 45 174.918 174.918 174.208 0.710 17628 1290 1 3 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.833 -1.675 17628 1291 1 3 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.761 1.629 17628 1292 1 3 . 1 1 45 45 HIS H H 45 9.202 9.202 9.096 0.106 17628 1293 1 3 . 1 1 46 46 ARG N N 46 122.260 122.260 123.264 -1.004 17628 1294 1 3 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.015 0.202 17628 1295 1 3 . 1 1 46 46 ARG C C 46 176.255 176.255 175.667 0.588 17628 1296 1 3 . 1 1 46 46 ARG CA C 46 54.844 54.844 55.149 -0.305 17628 1297 1 3 . 1 1 46 46 ARG CB C 46 32.393 32.393 33.625 -1.232 17628 1298 1 3 . 1 1 46 46 ARG H H 46 8.847 8.847 8.856 -0.009 17628 1299 1 3 . 1 1 47 47 GLY N N 47 114.135 114.135 107.445 6.690 17628 1300 1 3 . 1 1 47 47 GLY C C 47 171.175 171.175 172.155 -0.980 17628 1301 1 3 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.762 1.910 17628 1302 1 3 . 1 1 47 47 GLY H H 47 8.210 8.210 8.516 -0.306 17628 1303 1 3 . 1 1 48 48 CYS N N 48 118.698 118.698 120.139 -1.441 17628 1304 1 3 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.730 -0.538 17628 1305 1 3 . 1 1 48 48 CYS C C 48 173.522 173.522 175.779 -2.257 17628 1306 1 3 . 1 1 48 48 CYS CA C 48 58.600 58.600 55.322 3.278 17628 1307 1 3 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.414 16.519 17628 1308 1 3 . 1 1 48 48 CYS H H 48 8.322 8.322 8.181 0.141 17628 1309 1 3 . 1 1 49 49 GLY N N 49 112.213 112.213 113.987 -1.774 17628 1310 1 3 . 1 1 49 49 GLY C C 49 170.413 170.413 173.006 -2.593 17628 1311 1 3 . 1 1 49 49 GLY CA C 49 43.104 43.104 44.299 -1.195 17628 1312 1 3 . 1 1 49 49 GLY H H 49 8.679 8.679 8.788 -0.109 17628 1313 1 3 . 1 1 50 50 ASN N N 50 115.420 115.420 121.099 -5.679 17628 1314 1 3 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.477 -0.449 17628 1315 1 3 . 1 1 50 50 ASN C C 50 173.574 173.574 176.554 -2.980 17628 1316 1 3 . 1 1 50 50 ASN CA C 50 54.381 54.381 53.496 0.885 17628 1317 1 3 . 1 1 50 50 ASN CB C 50 42.721 42.721 38.741 3.980 17628 1318 1 3 . 1 1 50 50 ASN H H 50 8.103 8.103 7.664 0.439 17628 1319 1 3 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.251 0.404 17628 1320 1 3 . 1 1 51 51 LEU C C 51 176.323 176.323 175.553 0.770 17628 1321 1 3 . 1 1 51 51 LEU CA C 51 54.399 54.399 55.005 -0.606 17628 1322 1 3 . 1 1 51 51 LEU CB C 51 45.606 45.606 39.691 5.915 17628 1323 1 3 . 1 1 52 52 HIS N N 52 115.835 115.835 119.861 -4.026 17628 1324 1 3 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.891 0.096 17628 1325 1 3 . 1 1 52 52 HIS C C 52 176.442 176.442 174.303 2.139 17628 1326 1 3 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.783 0.200 17628 1327 1 3 . 1 1 52 52 HIS CB C 52 26.270 26.270 33.444 -7.174 17628 1328 1 3 . 1 1 52 52 HIS H H 52 8.904 8.904 8.166 0.738 17628 1329 1 3 . 1 1 53 53 ARG N N 53 124.169 124.169 123.488 0.681 17628 1330 1 3 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.480 -1.160 17628 1331 1 3 . 1 1 53 53 ARG C C 53 177.862 177.862 177.861 0.001 17628 1332 1 3 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.505 -0.147 17628 1333 1 3 . 1 1 53 53 ARG CB C 53 29.654 29.654 31.066 -1.412 17628 1334 1 3 . 1 1 53 53 ARG H H 53 8.876 8.876 8.800 0.076 17628 1335 1 3 . 1 1 54 54 GLU N N 54 118.465 118.465 121.008 -2.543 17628 1336 1 3 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.112 -0.079 17628 1337 1 3 . 1 1 54 54 GLU C C 54 177.704 177.704 178.192 -0.488 17628 1338 1 3 . 1 1 54 54 GLU CA C 54 58.743 58.743 59.056 -0.313 17628 1339 1 3 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.003 -1.060 17628 1340 1 3 . 1 1 54 54 GLU H H 54 9.759 9.759 8.886 0.874 17628 1341 1 3 . 1 1 55 55 LEU N N 55 120.238 120.238 117.328 2.910 17628 1342 1 3 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.403 -0.347 17628 1343 1 3 . 1 1 55 55 LEU C C 55 177.601 177.601 177.023 0.578 17628 1344 1 3 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.806 0.076 17628 1345 1 3 . 1 1 55 55 LEU CB C 55 41.225 41.225 42.003 -0.778 17628 1346 1 3 . 1 1 55 55 LEU H H 55 7.351 7.351 8.047 -0.696 17628 1347 1 3 . 1 1 56 56 CYS N N 56 115.234 115.234 114.475 0.759 17628 1348 1 3 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.408 -0.147 17628 1349 1 3 . 1 1 56 56 CYS C C 56 175.060 175.060 173.560 1.500 17628 1350 1 3 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.192 -1.309 17628 1351 1 3 . 1 1 56 56 CYS CB C 56 38.516 38.516 27.355 11.161 17628 1352 1 3 . 1 1 56 56 CYS H H 56 7.640 7.640 7.536 0.104 17628 1353 1 3 . 1 1 57 57 ARG N N 57 119.272 119.272 119.253 0.019 17628 1354 1 3 . 1 1 57 57 ARG HA H 57 4.484 4.484 3.993 0.491 17628 1355 1 3 . 1 1 57 57 ARG C C 57 176.114 176.114 176.061 0.053 17628 1356 1 3 . 1 1 57 57 ARG CA C 57 55.323 55.323 55.893 -0.570 17628 1357 1 3 . 1 1 57 57 ARG CB C 57 31.650 31.650 30.287 1.363 17628 1358 1 3 . 1 1 57 57 ARG H H 57 7.626 7.626 7.381 0.245 17628 1359 1 3 . 1 1 58 58 GLY N N 58 108.813 108.813 109.049 -0.236 17628 1360 1 3 . 1 1 58 58 GLY C C 58 173.663 173.663 174.704 -1.041 17628 1361 1 3 . 1 1 58 58 GLY CA C 58 45.357 45.357 46.208 -0.851 17628 1362 1 3 . 1 1 58 58 GLY H H 58 8.139 8.139 8.241 -0.102 17628 1363 1 3 . 1 1 59 59 ARG N N 59 121.042 121.042 120.300 0.742 17628 1364 1 3 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.880 -0.124 17628 1365 1 3 . 1 1 59 59 ARG C C 59 174.784 174.784 173.890 0.894 17628 1366 1 3 . 1 1 59 59 ARG CA C 59 53.834 53.834 52.078 1.756 17628 1367 1 3 . 1 1 59 59 ARG CB C 59 30.716 30.716 30.675 0.041 17628 1368 1 3 . 1 1 59 59 ARG H H 59 8.216 8.216 8.467 -0.251 17628 1369 1 3 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.705 -0.231 17628 1370 1 3 . 1 1 60 60 PRO C C 60 176.726 176.726 176.132 0.594 17628 1371 1 3 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.074 0.775 17628 1372 1 3 . 1 1 60 60 PRO CB C 60 31.909 31.909 30.603 1.306 17628 1373 1 3 . 1 1 61 61 THR N N 61 110.945 110.945 115.672 -4.727 17628 1374 1 3 . 1 1 61 61 THR HA H 61 4.426 4.426 4.379 0.047 17628 1375 1 3 . 1 1 61 61 THR C C 61 174.238 174.238 174.019 0.219 17628 1376 1 3 . 1 1 61 61 THR CA C 61 61.219 61.219 59.815 1.404 17628 1377 1 3 . 1 1 61 61 THR CB C 61 70.449 70.449 69.603 0.845 17628 1378 1 3 . 1 1 61 61 THR H H 61 7.940 7.940 7.371 0.569 17628 1379 1 3 . 1 1 62 62 GLU N N 62 119.936 119.936 120.907 -0.971 17628 1380 1 3 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.306 -0.136 17628 1381 1 3 . 1 1 62 62 GLU C C 62 175.889 175.889 177.023 -1.134 17628 1382 1 3 . 1 1 62 62 GLU CA C 62 57.090 57.090 57.243 -0.153 17628 1383 1 3 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.892 0.216 17628 1384 1 3 . 1 1 62 62 GLU H H 62 8.342 8.342 8.719 -0.377 17628 1385 1 3 . 1 1 63 63 PHE N N 63 117.934 117.934 117.106 0.828 17628 1386 1 3 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.741 -0.142 17628 1387 1 3 . 1 1 63 63 PHE C C 63 175.367 175.367 174.067 1.300 17628 1388 1 3 . 1 1 63 63 PHE CA C 63 58.150 58.150 56.313 1.837 17628 1389 1 3 . 1 1 63 63 PHE CB C 63 39.511 39.511 39.005 0.506 17628 1390 1 3 . 1 1 63 63 PHE H H 63 8.137 8.137 7.186 0.951 17628 1391 1 3 . 1 1 64 64 VAL N N 64 120.294 120.294 122.544 -2.250 17628 1392 1 3 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.536 -0.153 17628 1393 1 3 . 1 1 64 64 VAL C C 64 174.649 174.649 174.035 0.614 17628 1394 1 3 . 1 1 64 64 VAL CA C 64 62.287 62.287 61.350 0.937 17628 1395 1 3 . 1 1 64 64 VAL CB C 64 33.405 33.405 33.314 0.091 17628 1396 1 3 . 1 1 64 64 VAL H H 64 7.792 7.792 6.962 0.830 17628 1397 1 3 . 1 1 65 65 ASN N N 65 121.166 121.166 127.809 -6.643 17628 1398 1 3 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.633 0.264 17628 1399 1 3 . 1 1 65 65 ASN C C 65 173.716 173.716 174.429 -0.713 17628 1400 1 3 . 1 1 65 65 ASN CA C 65 52.908 52.908 50.622 2.286 17628 1401 1 3 . 1 1 65 65 ASN CB C 65 40.357 40.357 37.044 3.313 17628 1402 1 3 . 1 1 65 65 ASN H H 65 8.455 8.455 8.062 0.393 17628 1403 1 3 . 1 1 66 66 HIS N N 66 121.303 121.303 119.066 2.237 17628 1404 1 3 . 1 1 66 66 HIS HA H 66 5.051 5.051 4.868 0.183 17628 1405 1 3 . 1 1 66 66 HIS C C 66 172.730 172.730 174.736 -2.006 17628 1406 1 3 . 1 1 66 66 HIS CA C 66 55.764 55.764 54.882 0.882 17628 1407 1 3 . 1 1 66 66 HIS CB C 66 31.856 31.856 27.748 4.108 17628 1408 1 3 . 1 1 66 66 HIS H H 66 8.128 8.128 7.084 1.044 17628 1409 1 3 . 1 1 67 67 TYR N N 67 125.626 125.626 126.452 -0.826 17628 1410 1 3 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.756 0.181 17628 1411 1 3 . 1 1 67 67 TYR C C 67 174.178 174.178 173.381 0.797 17628 1412 1 3 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.721 -0.540 17628 1413 1 3 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.604 0.543 17628 1414 1 3 . 1 1 67 67 TYR H H 67 9.065 9.065 8.837 0.228 17628 1415 1 3 . 1 1 68 68 CYS N N 68 123.801 123.801 122.479 1.322 17628 1416 1 3 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.416 0.383 17628 1417 1 3 . 1 1 68 68 CYS C C 68 171.347 171.347 173.300 -1.953 17628 1418 1 3 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.862 -4.967 17628 1419 1 3 . 1 1 68 68 CYS CB C 68 45.198 45.198 29.913 15.285 17628 1420 1 3 . 1 1 68 68 CYS H H 68 7.902 7.902 7.688 0.214 17628 1421 1 3 . 1 1 69 69 CYS N N 69 115.715 115.715 119.703 -3.988 17628 1422 1 3 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.601 0.181 17628 1423 1 3 . 1 1 69 69 CYS C C 69 173.552 173.552 172.851 0.701 17628 1424 1 3 . 1 1 69 69 CYS CA C 69 54.996 54.996 57.865 -2.869 17628 1425 1 3 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.926 13.974 17628 1426 1 3 . 1 1 69 69 CYS H H 69 8.843 8.843 8.698 0.145 17628 1427 1 3 . 1 1 70 70 ASP N N 70 120.487 120.487 122.648 -2.161 17628 1428 1 3 . 1 1 70 70 ASP HA H 70 5.164 5.164 5.063 0.101 17628 1429 1 3 . 1 1 70 70 ASP C C 70 174.507 174.507 174.473 0.034 17628 1430 1 3 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.506 0.321 17628 1431 1 3 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.859 0.622 17628 1432 1 3 . 1 1 70 70 ASP H H 70 8.531 8.531 8.811 -0.280 17628 1433 1 3 . 1 1 71 71 SER N N 71 113.179 113.179 114.519 -1.340 17628 1434 1 3 . 1 1 71 71 SER HA H 71 4.896 4.896 4.856 0.040 17628 1435 1 3 . 1 1 71 71 SER C C 71 173.387 173.387 173.103 0.284 17628 1436 1 3 . 1 1 71 71 SER CA C 71 57.709 57.709 56.739 0.970 17628 1437 1 3 . 1 1 71 71 SER CB C 71 66.587 66.587 66.567 0.020 17628 1438 1 3 . 1 1 71 71 SER H H 71 7.641 7.641 7.609 0.032 17628 1439 1 3 . 1 1 72 72 HIS N N 72 119.348 119.348 120.556 -1.208 17628 1440 1 3 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.593 -0.055 17628 1441 1 3 . 1 1 72 72 HIS C C 72 176.173 176.173 176.093 0.080 17628 1442 1 3 . 1 1 72 72 HIS CA C 72 58.734 58.734 55.911 2.823 17628 1443 1 3 . 1 1 72 72 HIS CB C 72 31.776 31.776 30.100 1.676 17628 1444 1 3 . 1 1 72 72 HIS H H 72 8.308 8.308 8.745 -0.437 17628 1445 1 3 . 1 1 73 73 LEU N N 73 123.124 123.124 120.086 3.038 17628 1446 1 3 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.923 -0.155 17628 1447 1 3 . 1 1 73 73 LEU C C 73 178.572 178.572 176.258 2.314 17628 1448 1 3 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.435 1.167 17628 1449 1 3 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.036 0.966 17628 1450 1 3 . 1 1 73 73 LEU H H 73 9.769 9.769 9.045 0.724 17628 1451 1 3 . 1 1 74 74 CYS N N 74 116.789 116.789 118.156 -1.367 17628 1452 1 3 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.613 -0.191 17628 1453 1 3 . 1 1 74 74 CYS C C 74 174.644 174.644 176.467 -1.823 17628 1454 1 3 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.208 -0.648 17628 1455 1 3 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.427 15.841 17628 1456 1 3 . 1 1 74 74 CYS H H 74 8.488 8.488 8.308 0.180 17628 1457 1 3 . 1 1 75 75 ASN N N 75 118.193 118.193 119.783 -1.590 17628 1458 1 3 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.638 -0.220 17628 1459 1 3 . 1 1 75 75 ASN C C 75 175.216 175.216 175.582 -0.366 17628 1460 1 3 . 1 1 75 75 ASN CA C 75 52.578 52.578 55.243 -2.665 17628 1461 1 3 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.965 -0.352 17628 1462 1 3 . 1 1 75 75 ASN H H 75 8.432 8.432 8.039 0.393 17628 1463 1 3 . 1 1 76 76 HIS N N 76 120.329 120.329 119.540 0.789 17628 1464 1 3 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.902 -0.735 17628 1465 1 3 . 1 1 76 76 HIS C C 76 174.631 174.631 174.677 -0.046 17628 1466 1 3 . 1 1 76 76 HIS CA C 76 59.328 59.328 55.593 3.735 17628 1467 1 3 . 1 1 76 76 HIS CB C 76 29.708 29.708 28.631 1.077 17628 1468 1 3 . 1 1 76 76 HIS H H 76 7.768 7.768 8.297 -0.529 17628 1469 1 3 . 1 1 77 77 ASN N N 77 115.167 115.167 113.475 1.692 17628 1470 1 3 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.562 -0.004 17628 1471 1 3 . 1 1 77 77 ASN C C 77 174.522 174.522 174.351 0.171 17628 1472 1 3 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.984 -0.120 17628 1473 1 3 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.887 -0.168 17628 1474 1 3 . 1 1 77 77 ASN H H 77 8.457 8.457 7.773 0.684 17628 1475 1 3 . 1 1 78 78 VAL N N 78 119.202 119.202 122.239 -3.037 17628 1476 1 3 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.039 -0.196 17628 1477 1 3 . 1 1 78 78 VAL C C 78 174.709 174.709 174.451 0.258 17628 1478 1 3 . 1 1 78 78 VAL CA C 78 62.643 62.643 63.099 -0.456 17628 1479 1 3 . 1 1 78 78 VAL CB C 78 33.309 33.309 33.670 -0.361 17628 1480 1 3 . 1 1 78 78 VAL H H 78 6.691 6.691 7.201 -0.510 17628 1481 1 3 . 1 1 79 79 SER HA H 79 4.846 4.846 4.499 0.347 17628 1482 1 3 . 1 1 79 79 SER C C 79 174.082 174.082 173.781 0.301 17628 1483 1 3 . 1 1 79 79 SER CA C 79 56.222 56.222 57.188 -0.966 17628 1484 1 3 . 1 1 79 79 SER CB C 79 64.855 64.855 61.674 3.181 17628 1485 1 3 . 1 1 80 80 LEU N N 80 126.815 126.815 117.784 9.031 17628 1486 1 3 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.520 -0.160 17628 1487 1 3 . 1 1 80 80 LEU C C 80 176.897 176.897 176.457 0.440 17628 1488 1 3 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.569 -0.269 17628 1489 1 3 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.757 -0.086 17628 1490 1 3 . 1 1 80 80 LEU H H 80 9.623 9.623 7.601 2.022 17628 1491 1 3 . 1 1 81 81 VAL N N 81 117.921 117.921 120.875 -2.954 17628 1492 1 3 . 1 1 81 81 VAL HA H 81 3.944 3.944 4.036 -0.092 17628 1493 1 3 . 1 1 81 81 VAL C C 81 175.889 175.889 176.096 -0.207 17628 1494 1 3 . 1 1 81 81 VAL CA C 81 62.536 62.536 62.065 0.471 17628 1495 1 3 . 1 1 81 81 VAL CB C 81 32.869 32.869 32.727 0.142 17628 1496 1 3 . 1 1 81 81 VAL H H 81 7.824 7.824 7.511 0.313 17628 1497 1 3 . 1 1 82 82 LEU N N 82 124.533 124.533 130.780 -6.247 17628 1498 1 3 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.254 0.037 17628 1499 1 3 . 1 1 82 82 LEU C C 82 177.197 177.197 175.917 1.280 17628 1500 1 3 . 1 1 82 82 LEU CA C 82 55.131 55.131 55.564 -0.433 17628 1501 1 3 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.035 2.256 17628 1502 1 3 . 1 1 82 82 LEU H H 82 8.059 8.059 8.576 -0.517 17628 1503 1 3 . 1 1 83 83 GLU N N 83 120.926 120.926 122.986 -2.060 17628 1504 1 3 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.636 -0.454 17628 1505 1 3 . 1 1 83 83 GLU C C 83 175.897 175.897 175.738 0.159 17628 1506 1 3 . 1 1 83 83 GLU CA C 83 56.515 56.515 53.356 3.159 17628 1507 1 3 . 1 1 83 83 GLU CB C 83 30.167 30.167 33.355 -3.188 17628 1508 1 3 . 1 1 83 83 GLU H H 83 8.047 8.047 7.641 0.406 17628 1509 1 3 . 1 1 84 84 ALA N N 84 124.350 124.350 123.060 1.290 17628 1510 1 3 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.138 0.166 17628 1511 1 3 . 1 1 84 84 ALA C C 84 177.704 177.704 177.985 -0.281 17628 1512 1 3 . 1 1 84 84 ALA CA C 84 52.535 52.535 53.030 -0.495 17628 1513 1 3 . 1 1 84 84 ALA CB C 84 19.334 19.334 19.029 0.305 17628 1514 1 3 . 1 1 84 84 ALA H H 84 8.162 8.162 8.446 -0.284 17628 1515 1 3 . 1 1 85 85 THR N N 85 112.934 112.934 119.582 -6.648 17628 1516 1 3 . 1 1 85 85 THR HA H 85 4.264 4.264 4.225 0.039 17628 1517 1 3 . 1 1 85 85 THR C C 85 174.231 174.231 174.004 0.227 17628 1518 1 3 . 1 1 85 85 THR CA C 85 61.831 61.831 63.104 -1.273 17628 1519 1 3 . 1 1 85 85 THR CB C 85 69.955 69.955 67.749 2.206 17628 1520 1 3 . 1 1 85 85 THR H H 85 7.981 7.981 8.402 -0.421 17628 1521 1 3 . 1 1 86 86 GLN N N 86 123.516 123.516 123.313 0.203 17628 1522 1 3 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.551 0.059 17628 1523 1 3 . 1 1 86 86 GLN C C 86 173.352 173.352 172.910 0.442 17628 1524 1 3 . 1 1 86 86 GLN CA C 86 53.606 53.606 53.010 0.596 17628 1525 1 3 . 1 1 86 86 GLN CB C 86 29.094 29.094 29.956 -0.862 17628 1526 1 3 . 1 1 86 86 GLN H H 86 8.217 8.217 7.575 0.642 17628 1527 1 3 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.543 -0.130 17628 1528 1 3 . 1 1 88 88 PRO C C 88 176.930 176.930 175.510 1.420 17628 1529 1 3 . 1 1 88 88 PRO CA C 88 63.105 63.105 62.465 0.640 17628 1530 1 3 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.687 -0.527 17628 1531 1 3 . 1 1 89 89 SER N N 89 116.298 116.298 116.956 -0.658 17628 1532 1 3 . 1 1 89 89 SER HA H 89 4.419 4.419 4.774 -0.355 17628 1533 1 3 . 1 1 89 89 SER C C 89 174.469 174.469 173.308 1.161 17628 1534 1 3 . 1 1 89 89 SER CA C 89 58.378 58.378 57.889 0.489 17628 1535 1 3 . 1 1 89 89 SER CB C 89 63.995 63.995 64.517 -0.522 17628 1536 1 3 . 1 1 89 89 SER H H 89 8.358 8.358 8.103 0.255 17628 1537 1 3 . 1 1 90 90 GLU N N 90 122.340 122.340 124.477 -2.137 17628 1538 1 3 . 1 1 90 90 GLU HA H 90 4.647 4.647 3.897 0.750 17628 1539 1 3 . 1 1 90 90 GLU C C 90 175.971 175.971 174.990 0.981 17628 1540 1 3 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.510 -1.159 17628 1541 1 3 . 1 1 90 90 GLU CB C 90 30.349 30.349 29.420 0.929 17628 1542 1 3 . 1 1 90 90 GLU H H 90 8.338 8.338 8.989 -0.651 17628 1543 1 3 . 1 1 91 91 GLN N N 91 122.043 122.043 123.247 -1.204 17628 1544 1 3 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.853 -0.250 17628 1545 1 3 . 1 1 91 91 GLN C C 91 173.879 173.879 173.517 0.362 17628 1546 1 3 . 1 1 91 91 GLN CA C 91 53.624 53.624 52.321 1.303 17628 1547 1 3 . 1 1 91 91 GLN CB C 91 29.090 29.090 31.038 -1.948 17628 1548 1 3 . 1 1 91 91 GLN H H 91 8.317 8.317 9.191 -0.874 17628 1549 1 3 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.384 0.033 17628 1550 1 3 . 1 1 92 92 PRO C C 92 177.488 177.488 176.495 0.993 17628 1551 1 3 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.502 0.881 17628 1552 1 3 . 1 1 92 92 PRO CB C 92 32.153 32.153 31.501 0.652 17628 1553 1 3 . 1 1 93 93 GLY N N 93 109.201 109.201 113.297 -4.096 17628 1554 1 3 . 1 1 93 93 GLY C C 93 174.619 174.619 173.807 0.812 17628 1555 1 3 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.467 0.876 17628 1556 1 3 . 1 1 93 93 GLY H H 93 8.480 8.480 7.861 0.620 17628 1557 1 3 . 1 1 94 94 THR N N 94 112.828 112.828 118.111 -5.283 17628 1558 1 3 . 1 1 94 94 THR HA H 94 4.356 4.356 4.278 0.078 17628 1559 1 3 . 1 1 94 94 THR C C 94 174.510 174.510 174.776 -0.266 17628 1560 1 3 . 1 1 94 94 THR CA C 94 61.816 61.816 63.501 -1.685 17628 1561 1 3 . 1 1 94 94 THR CB C 94 69.913 69.913 69.197 0.716 17628 1562 1 3 . 1 1 94 94 THR H H 94 8.044 8.044 8.452 -0.408 17628 1563 1 3 . 1 1 95 95 ASP N N 95 122.173 122.173 125.296 -3.123 17628 1564 1 3 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.370 0.236 17628 1565 1 3 . 1 1 95 95 ASP C C 95 176.584 176.584 176.623 -0.039 17628 1566 1 3 . 1 1 95 95 ASP CA C 95 54.631 54.631 55.893 -1.262 17628 1567 1 3 . 1 1 95 95 ASP CB C 95 41.067 41.067 40.572 0.495 17628 1568 1 3 . 1 1 95 95 ASP H H 95 8.413 8.413 9.166 -0.753 17628 1569 1 3 . 1 1 96 96 GLY N N 96 109.220 109.220 106.288 2.932 17628 1570 1 3 . 1 1 96 96 GLY C C 96 173.454 173.454 174.072 -0.618 17628 1571 1 3 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.895 -0.230 17628 1572 1 3 . 1 1 96 96 GLY H H 96 8.290 8.290 7.734 0.556 17628 1573 1 4 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.743 -0.334 17628 1574 1 4 . 1 1 2 2 PRO C C 2 176.726 176.726 176.421 0.305 17628 1575 1 4 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.802 0.219 17628 1576 1 4 . 1 1 2 2 PRO CB C 2 32.135 32.135 32.047 0.088 17628 1577 1 4 . 1 1 3 3 VAL N N 3 120.494 120.494 120.738 -0.244 17628 1578 1 4 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.419 -0.425 17628 1579 1 4 . 1 1 3 3 VAL C C 3 175.979 175.979 175.614 0.365 17628 1580 1 4 . 1 1 3 3 VAL CA C 3 62.467 62.467 60.463 2.004 17628 1581 1 4 . 1 1 3 3 VAL CB C 3 32.545 32.545 33.306 -0.762 17628 1582 1 4 . 1 1 3 3 VAL H H 3 8.140 8.140 8.047 0.093 17628 1583 1 4 . 1 1 4 4 LYS N N 4 126.411 126.411 123.306 3.105 17628 1584 1 4 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.499 0.085 17628 1585 1 4 . 1 1 4 4 LYS C C 4 174.350 174.350 174.942 -0.592 17628 1586 1 4 . 1 1 4 4 LYS CA C 4 54.055 54.055 53.599 0.457 17628 1587 1 4 . 1 1 4 4 LYS CB C 4 32.579 32.579 32.358 0.221 17628 1588 1 4 . 1 1 4 4 LYS H H 4 8.276 8.276 8.400 -0.124 17628 1589 1 4 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.382 0.043 17628 1590 1 4 . 1 1 5 5 PRO C C 5 176.929 176.929 175.681 1.248 17628 1591 1 4 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.547 -0.352 17628 1592 1 4 . 1 1 5 5 PRO CB C 5 32.088 32.088 29.927 2.161 17628 1593 1 4 . 1 1 6 6 SER N N 6 115.564 115.564 113.529 2.035 17628 1594 1 4 . 1 1 6 6 SER HA H 6 4.379 4.379 4.389 -0.010 17628 1595 1 4 . 1 1 6 6 SER C C 6 174.458 174.458 173.410 1.048 17628 1596 1 4 . 1 1 6 6 SER CA C 6 58.418 58.418 58.491 -0.073 17628 1597 1 4 . 1 1 6 6 SER CB C 6 63.981 63.981 64.963 -0.982 17628 1598 1 4 . 1 1 6 6 SER H H 6 8.283 8.283 8.422 -0.140 17628 1599 1 4 . 1 1 7 7 ARG N N 7 122.599 122.599 124.984 -2.385 17628 1600 1 4 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.711 0.713 17628 1601 1 4 . 1 1 7 7 ARG C C 7 176.216 176.216 175.779 0.437 17628 1602 1 4 . 1 1 7 7 ARG CA C 7 56.083 56.083 56.226 -0.143 17628 1603 1 4 . 1 1 7 7 ARG CB C 7 31.142 31.142 27.910 3.232 17628 1604 1 4 . 1 1 7 7 ARG H H 7 8.321 8.321 7.645 0.676 17628 1605 1 4 . 1 1 8 8 GLY N N 8 110.092 110.092 108.426 1.666 17628 1606 1 4 . 1 1 8 8 GLY C C 8 171.536 171.536 172.176 -0.640 17628 1607 1 4 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.409 0.065 17628 1608 1 4 . 1 1 8 8 GLY H H 8 8.248 8.248 8.201 0.047 17628 1609 1 4 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.542 -0.117 17628 1610 1 4 . 1 1 9 9 PRO C C 9 176.675 176.675 175.988 0.687 17628 1611 1 4 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.038 1.162 17628 1612 1 4 . 1 1 9 9 PRO CB C 9 32.242 32.242 32.979 -0.737 17628 1613 1 4 . 1 1 10 10 LEU N N 10 120.335 120.335 123.198 -2.863 17628 1614 1 4 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.842 -0.327 17628 1615 1 4 . 1 1 10 10 LEU C C 10 176.413 176.413 177.230 -0.817 17628 1616 1 4 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.188 0.212 17628 1617 1 4 . 1 1 10 10 LEU CB C 10 43.946 43.946 41.031 2.915 17628 1618 1 4 . 1 1 10 10 LEU H H 10 8.018 8.018 8.384 -0.366 17628 1619 1 4 . 1 1 11 11 VAL N N 11 120.543 120.543 120.703 -0.160 17628 1620 1 4 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.520 -0.065 17628 1621 1 4 . 1 1 11 11 VAL C C 11 174.141 174.141 175.498 -1.357 17628 1622 1 4 . 1 1 11 11 VAL CA C 11 60.268 60.268 59.974 0.294 17628 1623 1 4 . 1 1 11 11 VAL CB C 11 35.006 35.006 34.887 0.119 17628 1624 1 4 . 1 1 11 11 VAL H H 11 9.111 9.111 7.751 1.360 17628 1625 1 4 . 1 1 12 12 THR N N 12 120.707 120.707 122.757 -2.050 17628 1626 1 4 . 1 1 12 12 THR HA H 12 4.883 4.883 4.497 0.386 17628 1627 1 4 . 1 1 12 12 THR C C 12 173.103 173.103 173.903 -0.800 17628 1628 1 4 . 1 1 12 12 THR CA C 12 62.760 62.760 63.319 -0.559 17628 1629 1 4 . 1 1 12 12 THR CB C 12 69.037 69.037 68.990 0.047 17628 1630 1 4 . 1 1 12 12 THR H H 12 8.886 8.886 8.576 0.310 17628 1631 1 4 . 1 1 13 13 CYS N N 13 124.651 124.651 125.647 -0.996 17628 1632 1 4 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.907 -0.025 17628 1633 1 4 . 1 1 13 13 CYS C C 13 174.463 174.463 175.131 -0.668 17628 1634 1 4 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.101 -5.979 17628 1635 1 4 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.147 11.260 17628 1636 1 4 . 1 1 13 13 CYS H H 13 9.165 9.165 9.286 -0.121 17628 1637 1 4 . 1 1 14 14 THR N N 14 121.496 121.496 119.492 2.004 17628 1638 1 4 . 1 1 14 14 THR HA H 14 4.001 4.001 4.040 -0.039 17628 1639 1 4 . 1 1 14 14 THR C C 14 172.453 172.453 173.979 -1.526 17628 1640 1 4 . 1 1 14 14 THR CA C 14 66.024 66.024 64.253 1.771 17628 1641 1 4 . 1 1 14 14 THR CB C 14 69.319 69.319 68.992 0.327 17628 1642 1 4 . 1 1 14 14 THR H H 14 8.931 8.931 8.709 0.222 17628 1643 1 4 . 1 1 15 15 CYS N N 15 129.296 129.296 128.449 0.847 17628 1644 1 4 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.361 -0.327 17628 1645 1 4 . 1 1 15 15 CYS C C 15 174.111 174.111 173.924 0.187 17628 1646 1 4 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.369 -0.362 17628 1647 1 4 . 1 1 15 15 CYS CB C 15 37.153 37.153 27.446 9.707 17628 1648 1 4 . 1 1 15 15 CYS H H 15 8.227 8.227 9.165 -0.938 17628 1649 1 4 . 1 1 16 16 GLU N N 16 127.625 127.625 127.159 0.466 17628 1650 1 4 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.573 -0.060 17628 1651 1 4 . 1 1 16 16 GLU C C 16 173.185 173.185 175.923 -2.738 17628 1652 1 4 . 1 1 16 16 GLU CA C 16 56.082 56.082 54.762 1.320 17628 1653 1 4 . 1 1 16 16 GLU CB C 16 32.050 32.050 28.871 3.179 17628 1654 1 4 . 1 1 16 16 GLU H H 16 9.106 9.106 9.002 0.104 17628 1655 1 4 . 1 1 17 17 SER N N 17 123.384 123.384 117.047 6.337 17628 1656 1 4 . 1 1 17 17 SER HA H 17 4.503 4.503 4.050 0.453 17628 1657 1 4 . 1 1 17 17 SER C C 17 172.946 172.946 171.590 1.356 17628 1658 1 4 . 1 1 17 17 SER CA C 17 57.341 57.341 59.622 -2.281 17628 1659 1 4 . 1 1 17 17 SER CB C 17 63.379 63.379 61.660 1.719 17628 1660 1 4 . 1 1 17 17 SER H H 17 7.770 7.770 8.173 -0.403 17628 1661 1 4 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.455 -0.103 17628 1662 1 4 . 1 1 18 18 PRO C C 18 176.600 176.600 176.971 -0.371 17628 1663 1 4 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.616 0.811 17628 1664 1 4 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.073 -0.066 17628 1665 1 4 . 1 1 19 19 HIS N N 19 113.110 113.110 115.559 -2.449 17628 1666 1 4 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.727 -0.049 17628 1667 1 4 . 1 1 19 19 HIS C C 19 175.396 175.396 174.842 0.554 17628 1668 1 4 . 1 1 19 19 HIS CA C 19 55.029 55.029 56.285 -1.256 17628 1669 1 4 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.025 -0.617 17628 1670 1 4 . 1 1 19 19 HIS H H 19 7.898 7.898 7.938 -0.040 17628 1671 1 4 . 1 1 20 20 CYS N N 20 119.283 119.283 116.420 2.863 17628 1672 1 4 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.705 -0.341 17628 1673 1 4 . 1 1 20 20 CYS C C 20 174.956 174.956 174.401 0.555 17628 1674 1 4 . 1 1 20 20 CYS CA C 20 57.764 57.764 56.960 0.804 17628 1675 1 4 . 1 1 20 20 CYS CB C 20 42.002 42.002 31.888 10.114 17628 1676 1 4 . 1 1 20 20 CYS H H 20 7.305 7.305 7.718 -0.413 17628 1677 1 4 . 1 1 21 21 LYS N N 21 124.199 124.199 120.333 3.866 17628 1678 1 4 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.203 0.200 17628 1679 1 4 . 1 1 21 21 LYS C C 21 175.650 175.650 177.077 -1.427 17628 1680 1 4 . 1 1 21 21 LYS CA C 21 56.112 56.112 58.361 -2.249 17628 1681 1 4 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.321 -0.155 17628 1682 1 4 . 1 1 21 21 LYS H H 21 8.851 8.851 8.772 0.079 17628 1683 1 4 . 1 1 22 22 GLY N N 22 108.943 108.943 106.455 2.488 17628 1684 1 4 . 1 1 22 22 GLY C C 22 171.467 171.467 172.907 -1.440 17628 1685 1 4 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.485 -1.048 17628 1686 1 4 . 1 1 22 22 GLY H H 22 7.768 7.768 8.135 -0.367 17628 1687 1 4 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.766 0.048 17628 1688 1 4 . 1 1 23 23 PRO C C 23 177.578 177.578 175.926 1.652 17628 1689 1 4 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.156 0.054 17628 1690 1 4 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.144 0.241 17628 1691 1 4 . 1 1 24 24 THR N N 24 108.931 108.931 109.625 -0.694 17628 1692 1 4 . 1 1 24 24 THR HA H 24 5.358 5.358 5.067 0.291 17628 1693 1 4 . 1 1 24 24 THR C C 24 173.043 173.043 173.868 -0.825 17628 1694 1 4 . 1 1 24 24 THR CA C 24 59.041 59.041 60.454 -1.413 17628 1695 1 4 . 1 1 24 24 THR CB C 24 73.255 73.255 71.883 1.372 17628 1696 1 4 . 1 1 24 24 THR H H 24 7.599 7.599 7.992 -0.393 17628 1697 1 4 . 1 1 25 25 CYS N N 25 115.152 115.152 118.277 -3.125 17628 1698 1 4 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.912 -0.046 17628 1699 1 4 . 1 1 25 25 CYS C C 25 171.952 171.952 173.181 -1.229 17628 1700 1 4 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.304 -3.817 17628 1701 1 4 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.984 15.401 17628 1702 1 4 . 1 1 25 25 CYS H H 25 8.872 8.872 8.926 -0.054 17628 1703 1 4 . 1 1 26 26 ARG N N 26 119.551 119.551 124.513 -4.962 17628 1704 1 4 . 1 1 26 26 ARG HA H 26 5.577 5.577 5.326 0.251 17628 1705 1 4 . 1 1 26 26 ARG C C 26 176.621 176.621 176.322 0.299 17628 1706 1 4 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.713 -2.588 17628 1707 1 4 . 1 1 26 26 ARG CB C 26 32.588 32.588 31.544 1.044 17628 1708 1 4 . 1 1 26 26 ARG H H 26 8.481 8.481 8.720 -0.239 17628 1709 1 4 . 1 1 27 27 GLY N N 27 111.192 111.192 111.220 -0.028 17628 1710 1 4 . 1 1 27 27 GLY C C 27 170.250 170.250 172.425 -2.175 17628 1711 1 4 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.911 -0.778 17628 1712 1 4 . 1 1 27 27 GLY H H 27 8.866 8.866 8.833 0.033 17628 1713 1 4 . 1 1 28 28 ALA N N 28 123.763 123.763 122.154 1.609 17628 1714 1 4 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.900 -0.487 17628 1715 1 4 . 1 1 28 28 ALA C C 28 177.525 177.525 175.652 1.873 17628 1716 1 4 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.654 3.063 17628 1717 1 4 . 1 1 28 28 ALA CB C 28 19.214 19.214 20.711 -1.497 17628 1718 1 4 . 1 1 28 28 ALA H H 28 7.732 7.732 8.381 -0.649 17628 1719 1 4 . 1 1 29 29 TRP N N 29 112.576 112.576 114.667 -2.091 17628 1720 1 4 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.787 -0.147 17628 1721 1 4 . 1 1 29 29 TRP C C 29 172.901 172.901 173.577 -0.676 17628 1722 1 4 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.772 3.990 17628 1723 1 4 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.536 0.070 17628 1724 1 4 . 1 1 29 29 TRP H H 29 7.830 7.830 7.069 0.761 17628 1725 1 4 . 1 1 30 30 CYS N N 30 116.421 116.421 121.279 -4.858 17628 1726 1 4 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.674 0.220 17628 1727 1 4 . 1 1 30 30 CYS C C 30 176.719 176.719 175.434 1.285 17628 1728 1 4 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.290 -6.593 17628 1729 1 4 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.584 10.671 17628 1730 1 4 . 1 1 30 30 CYS H H 30 9.319 9.319 9.111 0.208 17628 1731 1 4 . 1 1 31 31 THR N N 31 110.073 110.073 118.355 -8.282 17628 1732 1 4 . 1 1 31 31 THR HA H 31 5.917 5.917 5.273 0.644 17628 1733 1 4 . 1 1 31 31 THR C C 31 177.249 177.249 174.436 2.813 17628 1734 1 4 . 1 1 31 31 THR CA C 31 59.845 59.845 60.257 -0.412 17628 1735 1 4 . 1 1 31 31 THR CB C 31 72.586 72.586 70.191 2.395 17628 1736 1 4 . 1 1 31 31 THR H H 31 8.936 8.936 9.367 -0.431 17628 1737 1 4 . 1 1 32 32 VAL N N 32 122.685 122.685 122.501 0.184 17628 1738 1 4 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.186 -0.424 17628 1739 1 4 . 1 1 32 32 VAL C C 32 173.813 173.813 174.152 -0.339 17628 1740 1 4 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.889 3.830 17628 1741 1 4 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.615 0.257 17628 1742 1 4 . 1 1 32 32 VAL H H 32 8.841 8.841 9.258 -0.417 17628 1743 1 4 . 1 1 33 33 VAL N N 33 124.915 124.915 121.192 3.723 17628 1744 1 4 . 1 1 33 33 VAL HA H 33 4.787 4.787 5.102 -0.315 17628 1745 1 4 . 1 1 33 33 VAL C C 33 174.014 174.014 174.388 -0.374 17628 1746 1 4 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.342 0.120 17628 1747 1 4 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.635 1.053 17628 1748 1 4 . 1 1 33 33 VAL H H 33 9.047 9.047 9.181 -0.134 17628 1749 1 4 . 1 1 34 34 LEU N N 34 127.771 127.771 129.366 -1.595 17628 1750 1 4 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.921 -0.032 17628 1751 1 4 . 1 1 34 34 LEU C C 34 175.433 175.433 175.484 -0.051 17628 1752 1 4 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.611 0.404 17628 1753 1 4 . 1 1 34 34 LEU CB C 34 44.427 44.427 43.885 0.542 17628 1754 1 4 . 1 1 34 34 LEU H H 34 8.450 8.450 7.969 0.481 17628 1755 1 4 . 1 1 35 35 VAL N N 35 125.904 125.904 128.304 -2.400 17628 1756 1 4 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.023 0.353 17628 1757 1 4 . 1 1 35 35 VAL C C 35 175.098 175.098 174.922 0.176 17628 1758 1 4 . 1 1 35 35 VAL CA C 35 61.301 61.301 62.467 -1.166 17628 1759 1 4 . 1 1 35 35 VAL CB C 35 34.190 34.190 30.872 3.318 17628 1760 1 4 . 1 1 35 35 VAL H H 35 8.868 8.868 8.824 0.044 17628 1761 1 4 . 1 1 36 36 ARG N N 36 127.282 127.282 129.101 -1.819 17628 1762 1 4 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.254 0.262 17628 1763 1 4 . 1 1 36 36 ARG C C 36 175.068 175.068 175.187 -0.119 17628 1764 1 4 . 1 1 36 36 ARG CA C 36 55.524 55.524 54.577 0.947 17628 1765 1 4 . 1 1 36 36 ARG CB C 36 31.603 31.603 28.716 2.887 17628 1766 1 4 . 1 1 36 36 ARG H H 36 8.665 8.665 8.187 0.478 17628 1767 1 4 . 1 1 37 37 GLU N N 37 124.628 124.628 124.424 0.204 17628 1768 1 4 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.291 0.107 17628 1769 1 4 . 1 1 37 37 GLU C C 37 175.762 175.762 175.165 0.597 17628 1770 1 4 . 1 1 37 37 GLU CA C 37 55.477 55.477 55.605 -0.128 17628 1771 1 4 . 1 1 37 37 GLU CB C 37 31.724 31.724 29.972 1.752 17628 1772 1 4 . 1 1 37 37 GLU H H 37 8.458 8.458 8.214 0.244 17628 1773 1 4 . 1 1 38 38 GLU N N 38 123.236 123.236 126.308 -3.072 17628 1774 1 4 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.109 -0.081 17628 1775 1 4 . 1 1 38 38 GLU C C 38 177.354 177.354 176.184 1.170 17628 1776 1 4 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.643 1.281 17628 1777 1 4 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.808 0.462 17628 1778 1 4 . 1 1 38 38 GLU H H 38 8.628 8.628 8.156 0.472 17628 1779 1 4 . 1 1 39 39 GLY N N 39 111.764 111.764 113.636 -1.872 17628 1780 1 4 . 1 1 39 39 GLY C C 39 173.954 173.954 174.414 -0.460 17628 1781 1 4 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.336 0.256 17628 1782 1 4 . 1 1 39 39 GLY H H 39 8.670 8.670 8.116 0.554 17628 1783 1 4 . 1 1 40 40 ARG N N 40 118.313 118.313 121.139 -2.826 17628 1784 1 4 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.417 0.172 17628 1785 1 4 . 1 1 40 40 ARG C C 40 175.874 175.874 175.902 -0.028 17628 1786 1 4 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.243 -1.658 17628 1787 1 4 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.759 0.743 17628 1788 1 4 . 1 1 40 40 ARG H H 40 7.905 7.905 8.307 -0.402 17628 1789 1 4 . 1 1 41 41 HIS N N 41 120.013 120.013 118.636 1.377 17628 1790 1 4 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.936 -0.081 17628 1791 1 4 . 1 1 41 41 HIS C C 41 173.290 173.290 173.159 0.131 17628 1792 1 4 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.036 1.170 17628 1793 1 4 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.146 -1.957 17628 1794 1 4 . 1 1 41 41 HIS H H 41 8.512 8.512 8.354 0.158 17628 1795 1 4 . 1 1 42 42 PRO HA H 42 4.640 4.640 5.044 -0.404 17628 1796 1 4 . 1 1 42 42 PRO C C 42 175.777 175.777 176.157 -0.380 17628 1797 1 4 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.474 1.046 17628 1798 1 4 . 1 1 42 42 PRO CB C 42 32.493 32.493 31.539 0.954 17628 1799 1 4 . 1 1 43 43 GLN N N 43 120.474 120.474 124.757 -4.283 17628 1800 1 4 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.464 0.133 17628 1801 1 4 . 1 1 43 43 GLN C C 43 173.963 173.963 174.628 -0.665 17628 1802 1 4 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.627 -0.143 17628 1803 1 4 . 1 1 43 43 GLN CB C 43 32.563 32.563 31.821 0.742 17628 1804 1 4 . 1 1 43 43 GLN H H 43 8.524 8.524 8.054 0.470 17628 1805 1 4 . 1 1 44 44 GLU N N 44 122.323 122.323 126.119 -3.796 17628 1806 1 4 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.370 0.717 17628 1807 1 4 . 1 1 44 44 GLU C C 44 175.650 175.650 175.642 0.008 17628 1808 1 4 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.077 -0.642 17628 1809 1 4 . 1 1 44 44 GLU CB C 44 31.538 31.538 28.778 2.760 17628 1810 1 4 . 1 1 44 44 GLU H H 44 8.751 8.751 8.943 -0.192 17628 1811 1 4 . 1 1 45 45 HIS N N 45 122.818 122.818 123.586 -0.768 17628 1812 1 4 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.058 0.331 17628 1813 1 4 . 1 1 45 45 HIS C C 45 174.918 174.918 174.455 0.463 17628 1814 1 4 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.802 -1.644 17628 1815 1 4 . 1 1 45 45 HIS CB C 45 33.390 33.390 32.202 1.188 17628 1816 1 4 . 1 1 45 45 HIS H H 45 9.202 9.202 8.468 0.734 17628 1817 1 4 . 1 1 46 46 ARG N N 46 122.260 122.260 119.861 2.399 17628 1818 1 4 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.299 -0.082 17628 1819 1 4 . 1 1 46 46 ARG C C 46 176.255 176.255 174.731 1.524 17628 1820 1 4 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.778 0.066 17628 1821 1 4 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.408 -2.015 17628 1822 1 4 . 1 1 46 46 ARG H H 46 8.847 8.847 8.057 0.790 17628 1823 1 4 . 1 1 47 47 GLY N N 47 114.135 114.135 108.178 5.957 17628 1824 1 4 . 1 1 47 47 GLY C C 47 171.175 171.175 172.185 -1.010 17628 1825 1 4 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.951 1.721 17628 1826 1 4 . 1 1 47 47 GLY H H 47 8.210 8.210 8.483 -0.273 17628 1827 1 4 . 1 1 48 48 CYS N N 48 118.698 118.698 120.621 -1.923 17628 1828 1 4 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.769 -0.577 17628 1829 1 4 . 1 1 48 48 CYS C C 48 173.522 173.522 175.993 -2.471 17628 1830 1 4 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.056 2.544 17628 1831 1 4 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.607 16.326 17628 1832 1 4 . 1 1 48 48 CYS H H 48 8.322 8.322 8.116 0.206 17628 1833 1 4 . 1 1 49 49 GLY N N 49 112.213 112.213 111.269 0.944 17628 1834 1 4 . 1 1 49 49 GLY C C 49 170.413 170.413 173.573 -3.160 17628 1835 1 4 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.132 -2.028 17628 1836 1 4 . 1 1 49 49 GLY H H 49 8.679 8.679 9.000 -0.321 17628 1837 1 4 . 1 1 50 50 ASN N N 50 115.420 115.420 116.125 -0.705 17628 1838 1 4 . 1 1 50 50 ASN HA H 50 4.028 4.028 3.973 0.055 17628 1839 1 4 . 1 1 50 50 ASN C C 50 173.574 173.574 175.018 -1.444 17628 1840 1 4 . 1 1 50 50 ASN CA C 50 54.381 54.381 54.663 -0.281 17628 1841 1 4 . 1 1 50 50 ASN CB C 50 42.721 42.721 36.046 6.675 17628 1842 1 4 . 1 1 50 50 ASN H H 50 8.103 8.103 7.676 0.427 17628 1843 1 4 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.189 0.466 17628 1844 1 4 . 1 1 51 51 LEU C C 51 176.323 176.323 177.094 -0.771 17628 1845 1 4 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.913 -0.515 17628 1846 1 4 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.374 4.232 17628 1847 1 4 . 1 1 52 52 HIS N N 52 115.835 115.835 119.439 -3.604 17628 1848 1 4 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.654 0.333 17628 1849 1 4 . 1 1 52 52 HIS C C 52 176.442 176.442 174.814 1.628 17628 1850 1 4 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.496 0.487 17628 1851 1 4 . 1 1 52 52 HIS CB C 52 26.270 26.270 28.420 -2.150 17628 1852 1 4 . 1 1 52 52 HIS H H 52 8.904 8.904 7.955 0.949 17628 1853 1 4 . 1 1 53 53 ARG N N 53 124.169 124.169 123.983 0.186 17628 1854 1 4 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.328 -1.008 17628 1855 1 4 . 1 1 53 53 ARG C C 53 177.862 177.862 177.905 -0.043 17628 1856 1 4 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.603 -0.245 17628 1857 1 4 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.415 -0.761 17628 1858 1 4 . 1 1 53 53 ARG H H 53 8.876 8.876 7.880 0.996 17628 1859 1 4 . 1 1 54 54 GLU N N 54 118.465 118.465 120.475 -2.010 17628 1860 1 4 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.071 -0.038 17628 1861 1 4 . 1 1 54 54 GLU C C 54 177.704 177.704 178.009 -0.305 17628 1862 1 4 . 1 1 54 54 GLU CA C 54 58.743 58.743 59.323 -0.580 17628 1863 1 4 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.897 -1.953 17628 1864 1 4 . 1 1 54 54 GLU H H 54 9.759 9.759 8.583 1.176 17628 1865 1 4 . 1 1 55 55 LEU N N 55 120.238 120.238 116.596 3.642 17628 1866 1 4 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.116 -0.060 17628 1867 1 4 . 1 1 55 55 LEU C C 55 177.601 177.601 176.407 1.194 17628 1868 1 4 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.215 0.667 17628 1869 1 4 . 1 1 55 55 LEU CB C 55 41.225 41.225 40.873 0.352 17628 1870 1 4 . 1 1 55 55 LEU H H 55 7.351 7.351 8.149 -0.798 17628 1871 1 4 . 1 1 56 56 CYS N N 56 115.234 115.234 116.437 -1.203 17628 1872 1 4 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.717 -0.456 17628 1873 1 4 . 1 1 56 56 CYS C C 56 175.060 175.060 173.771 1.289 17628 1874 1 4 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.463 -1.580 17628 1875 1 4 . 1 1 56 56 CYS CB C 56 38.516 38.516 29.189 9.327 17628 1876 1 4 . 1 1 56 56 CYS H H 56 7.640 7.640 7.455 0.185 17628 1877 1 4 . 1 1 57 57 ARG N N 57 119.272 119.272 116.353 2.919 17628 1878 1 4 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.557 -0.073 17628 1879 1 4 . 1 1 57 57 ARG C C 57 176.114 176.114 174.503 1.611 17628 1880 1 4 . 1 1 57 57 ARG CA C 57 55.323 55.323 55.700 -0.377 17628 1881 1 4 . 1 1 57 57 ARG CB C 57 31.650 31.650 31.164 0.486 17628 1882 1 4 . 1 1 57 57 ARG H H 57 7.626 7.626 7.250 0.376 17628 1883 1 4 . 1 1 58 58 GLY N N 58 108.813 108.813 108.042 0.771 17628 1884 1 4 . 1 1 58 58 GLY C C 58 173.663 173.663 173.487 0.176 17628 1885 1 4 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.043 0.314 17628 1886 1 4 . 1 1 58 58 GLY H H 58 8.139 8.139 8.523 -0.384 17628 1887 1 4 . 1 1 59 59 ARG N N 59 121.042 121.042 122.189 -1.147 17628 1888 1 4 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.842 -0.086 17628 1889 1 4 . 1 1 59 59 ARG C C 59 174.784 174.784 174.051 0.733 17628 1890 1 4 . 1 1 59 59 ARG CA C 59 53.834 53.834 53.177 0.657 17628 1891 1 4 . 1 1 59 59 ARG CB C 59 30.716 30.716 31.466 -0.750 17628 1892 1 4 . 1 1 59 59 ARG H H 59 8.216 8.216 8.502 -0.286 17628 1893 1 4 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.319 0.155 17628 1894 1 4 . 1 1 60 60 PRO C C 60 176.726 176.726 175.664 1.062 17628 1895 1 4 . 1 1 60 60 PRO CA C 60 63.849 63.849 62.596 1.253 17628 1896 1 4 . 1 1 60 60 PRO CB C 60 31.909 31.909 29.810 2.099 17628 1897 1 4 . 1 1 61 61 THR N N 61 110.945 110.945 110.667 0.278 17628 1898 1 4 . 1 1 61 61 THR HA H 61 4.426 4.426 4.411 0.015 17628 1899 1 4 . 1 1 61 61 THR C C 61 174.238 174.238 173.956 0.282 17628 1900 1 4 . 1 1 61 61 THR CA C 61 61.219 61.219 59.846 1.373 17628 1901 1 4 . 1 1 61 61 THR CB C 61 70.449 70.449 70.402 0.047 17628 1902 1 4 . 1 1 61 61 THR H H 61 7.940 7.940 7.506 0.434 17628 1903 1 4 . 1 1 62 62 GLU N N 62 119.936 119.936 119.631 0.305 17628 1904 1 4 . 1 1 62 62 GLU HA H 62 4.170 4.170 3.949 0.221 17628 1905 1 4 . 1 1 62 62 GLU C C 62 175.889 175.889 176.030 -0.141 17628 1906 1 4 . 1 1 62 62 GLU CA C 62 57.090 57.090 59.458 -2.368 17628 1907 1 4 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.354 0.755 17628 1908 1 4 . 1 1 62 62 GLU H H 62 8.342 8.342 8.709 -0.367 17628 1909 1 4 . 1 1 63 63 PHE N N 63 117.934 117.934 111.739 6.195 17628 1910 1 4 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.837 -0.238 17628 1911 1 4 . 1 1 63 63 PHE C C 63 175.367 175.367 173.486 1.881 17628 1912 1 4 . 1 1 63 63 PHE CA C 63 58.150 58.150 56.907 1.243 17628 1913 1 4 . 1 1 63 63 PHE CB C 63 39.511 39.511 41.663 -2.152 17628 1914 1 4 . 1 1 63 63 PHE H H 63 8.137 8.137 7.779 0.358 17628 1915 1 4 . 1 1 64 64 VAL N N 64 120.294 120.294 120.322 -0.028 17628 1916 1 4 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.644 -0.261 17628 1917 1 4 . 1 1 64 64 VAL C C 64 174.649 174.649 172.843 1.806 17628 1918 1 4 . 1 1 64 64 VAL CA C 64 62.287 62.287 59.363 2.924 17628 1919 1 4 . 1 1 64 64 VAL CB C 64 33.405 33.405 34.572 -1.167 17628 1920 1 4 . 1 1 64 64 VAL H H 64 7.792 7.792 6.992 0.800 17628 1921 1 4 . 1 1 65 65 ASN N N 65 121.166 121.166 122.143 -0.977 17628 1922 1 4 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.660 0.237 17628 1923 1 4 . 1 1 65 65 ASN C C 65 173.716 173.716 173.111 0.605 17628 1924 1 4 . 1 1 65 65 ASN CA C 65 52.908 52.908 52.671 0.237 17628 1925 1 4 . 1 1 65 65 ASN CB C 65 40.357 40.357 40.395 -0.039 17628 1926 1 4 . 1 1 65 65 ASN H H 65 8.455 8.455 8.297 0.158 17628 1927 1 4 . 1 1 66 66 HIS N N 66 121.303 121.303 125.232 -3.929 17628 1928 1 4 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.436 -0.385 17628 1929 1 4 . 1 1 66 66 HIS C C 66 172.730 172.730 174.765 -2.035 17628 1930 1 4 . 1 1 66 66 HIS CA C 66 55.764 55.764 54.830 0.934 17628 1931 1 4 . 1 1 66 66 HIS CB C 66 31.856 31.856 28.668 3.188 17628 1932 1 4 . 1 1 66 66 HIS H H 66 8.128 8.128 8.197 -0.069 17628 1933 1 4 . 1 1 67 67 TYR N N 67 125.626 125.626 127.704 -2.078 17628 1934 1 4 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.602 0.335 17628 1935 1 4 . 1 1 67 67 TYR C C 67 174.178 174.178 174.010 0.168 17628 1936 1 4 . 1 1 67 67 TYR CA C 67 57.181 57.181 58.218 -1.037 17628 1937 1 4 . 1 1 67 67 TYR CB C 67 42.147 42.147 38.527 3.620 17628 1938 1 4 . 1 1 67 67 TYR H H 67 9.065 9.065 9.030 0.035 17628 1939 1 4 . 1 1 68 68 CYS N N 68 123.801 123.801 125.980 -2.179 17628 1940 1 4 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.589 0.210 17628 1941 1 4 . 1 1 68 68 CYS C C 68 171.347 171.347 174.012 -2.665 17628 1942 1 4 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.746 -4.851 17628 1943 1 4 . 1 1 68 68 CYS CB C 68 45.198 45.198 28.643 16.555 17628 1944 1 4 . 1 1 68 68 CYS H H 68 7.902 7.902 8.092 -0.190 17628 1945 1 4 . 1 1 69 69 CYS N N 69 115.715 115.715 119.816 -4.101 17628 1946 1 4 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.708 0.074 17628 1947 1 4 . 1 1 69 69 CYS C C 69 173.552 173.552 173.302 0.250 17628 1948 1 4 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.048 -3.052 17628 1949 1 4 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.560 14.340 17628 1950 1 4 . 1 1 69 69 CYS H H 69 8.843 8.843 8.608 0.235 17628 1951 1 4 . 1 1 70 70 ASP N N 70 120.487 120.487 123.185 -2.698 17628 1952 1 4 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.993 0.171 17628 1953 1 4 . 1 1 70 70 ASP C C 70 174.507 174.507 175.296 -0.789 17628 1954 1 4 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.553 0.274 17628 1955 1 4 . 1 1 70 70 ASP CB C 70 42.481 42.481 40.734 1.747 17628 1956 1 4 . 1 1 70 70 ASP H H 70 8.531 8.531 8.678 -0.147 17628 1957 1 4 . 1 1 71 71 SER N N 71 113.179 113.179 114.251 -1.072 17628 1958 1 4 . 1 1 71 71 SER HA H 71 4.896 4.896 4.747 0.149 17628 1959 1 4 . 1 1 71 71 SER C C 71 173.387 173.387 173.309 0.078 17628 1960 1 4 . 1 1 71 71 SER CA C 71 57.709 57.709 56.919 0.790 17628 1961 1 4 . 1 1 71 71 SER CB C 71 66.587 66.587 65.915 0.672 17628 1962 1 4 . 1 1 71 71 SER H H 71 7.641 7.641 7.555 0.086 17628 1963 1 4 . 1 1 72 72 HIS N N 72 119.348 119.348 120.521 -1.173 17628 1964 1 4 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.618 -0.080 17628 1965 1 4 . 1 1 72 72 HIS C C 72 176.173 176.173 175.791 0.382 17628 1966 1 4 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.174 2.560 17628 1967 1 4 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.591 2.185 17628 1968 1 4 . 1 1 72 72 HIS H H 72 8.308 8.308 8.494 -0.186 17628 1969 1 4 . 1 1 73 73 LEU N N 73 123.124 123.124 119.030 4.094 17628 1970 1 4 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.987 -0.219 17628 1971 1 4 . 1 1 73 73 LEU C C 73 178.572 178.572 176.029 2.543 17628 1972 1 4 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.272 1.330 17628 1973 1 4 . 1 1 73 73 LEU CB C 73 40.002 40.002 38.723 1.279 17628 1974 1 4 . 1 1 73 73 LEU H H 73 9.769 9.769 8.948 0.821 17628 1975 1 4 . 1 1 74 74 CYS N N 74 116.789 116.789 118.163 -1.374 17628 1976 1 4 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.448 -0.026 17628 1977 1 4 . 1 1 74 74 CYS C C 74 174.644 174.644 176.434 -1.790 17628 1978 1 4 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.585 -1.025 17628 1979 1 4 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.151 16.117 17628 1980 1 4 . 1 1 74 74 CYS H H 74 8.488 8.488 8.093 0.395 17628 1981 1 4 . 1 1 75 75 ASN N N 75 118.193 118.193 120.263 -2.070 17628 1982 1 4 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.550 -0.132 17628 1983 1 4 . 1 1 75 75 ASN C C 75 175.216 175.216 176.192 -0.976 17628 1984 1 4 . 1 1 75 75 ASN CA C 75 52.578 52.578 56.202 -3.624 17628 1985 1 4 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.721 -0.108 17628 1986 1 4 . 1 1 75 75 ASN H H 75 8.432 8.432 8.029 0.403 17628 1987 1 4 . 1 1 76 76 HIS N N 76 120.329 120.329 119.224 1.105 17628 1988 1 4 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.357 -0.190 17628 1989 1 4 . 1 1 76 76 HIS C C 76 174.631 174.631 174.833 -0.202 17628 1990 1 4 . 1 1 76 76 HIS CA C 76 59.328 59.328 59.342 -0.014 17628 1991 1 4 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.951 -0.243 17628 1992 1 4 . 1 1 76 76 HIS H H 76 7.768 7.768 8.550 -0.782 17628 1993 1 4 . 1 1 77 77 ASN N N 77 115.167 115.167 115.906 -0.739 17628 1994 1 4 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.825 -0.267 17628 1995 1 4 . 1 1 77 77 ASN C C 77 174.522 174.522 174.309 0.213 17628 1996 1 4 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.201 0.663 17628 1997 1 4 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.904 -0.185 17628 1998 1 4 . 1 1 77 77 ASN H H 77 8.457 8.457 7.711 0.746 17628 1999 1 4 . 1 1 78 78 VAL N N 78 119.202 119.202 119.657 -0.455 17628 2000 1 4 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.186 -0.343 17628 2001 1 4 . 1 1 78 78 VAL C C 78 174.709 174.709 174.304 0.405 17628 2002 1 4 . 1 1 78 78 VAL CA C 78 62.643 62.643 61.188 1.455 17628 2003 1 4 . 1 1 78 78 VAL CB C 78 33.309 33.309 33.611 -0.302 17628 2004 1 4 . 1 1 78 78 VAL H H 78 6.691 6.691 7.167 -0.476 17628 2005 1 4 . 1 1 79 79 SER HA H 79 4.846 4.846 4.668 0.178 17628 2006 1 4 . 1 1 79 79 SER C C 79 174.082 174.082 173.506 0.576 17628 2007 1 4 . 1 1 79 79 SER CA C 79 56.222 56.222 57.088 -0.866 17628 2008 1 4 . 1 1 79 79 SER CB C 79 64.855 64.855 65.043 -0.188 17628 2009 1 4 . 1 1 80 80 LEU N N 80 126.815 126.815 120.248 6.567 17628 2010 1 4 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.712 -0.352 17628 2011 1 4 . 1 1 80 80 LEU C C 80 176.897 176.897 176.857 0.040 17628 2012 1 4 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.381 -0.081 17628 2013 1 4 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.735 -0.064 17628 2014 1 4 . 1 1 80 80 LEU H H 80 9.623 9.623 8.260 1.363 17628 2015 1 4 . 1 1 81 81 VAL N N 81 117.921 117.921 117.917 0.004 17628 2016 1 4 . 1 1 81 81 VAL HA H 81 3.944 3.944 4.078 -0.134 17628 2017 1 4 . 1 1 81 81 VAL C C 81 175.889 175.889 175.135 0.754 17628 2018 1 4 . 1 1 81 81 VAL CA C 81 62.536 62.536 61.230 1.306 17628 2019 1 4 . 1 1 81 81 VAL CB C 81 32.869 32.869 29.775 3.094 17628 2020 1 4 . 1 1 81 81 VAL H H 81 7.824 7.824 7.661 0.163 17628 2021 1 4 . 1 1 82 82 LEU N N 82 124.533 124.533 118.870 5.663 17628 2022 1 4 . 1 1 82 82 LEU HA H 82 4.291 4.291 3.916 0.375 17628 2023 1 4 . 1 1 82 82 LEU C C 82 177.197 177.197 175.124 2.073 17628 2024 1 4 . 1 1 82 82 LEU CA C 82 55.131 55.131 56.172 -1.041 17628 2025 1 4 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.074 2.217 17628 2026 1 4 . 1 1 82 82 LEU H H 82 8.059 8.059 8.501 -0.442 17628 2027 1 4 . 1 1 83 83 GLU N N 83 120.926 120.926 118.340 2.586 17628 2028 1 4 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.260 -0.078 17628 2029 1 4 . 1 1 83 83 GLU C C 83 175.897 175.897 175.486 0.411 17628 2030 1 4 . 1 1 83 83 GLU CA C 83 56.515 56.515 56.862 -0.347 17628 2031 1 4 . 1 1 83 83 GLU CB C 83 30.167 30.167 30.209 -0.042 17628 2032 1 4 . 1 1 83 83 GLU H H 83 8.047 8.047 7.916 0.131 17628 2033 1 4 . 1 1 84 84 ALA N N 84 124.350 124.350 121.415 2.935 17628 2034 1 4 . 1 1 84 84 ALA HA H 84 4.304 4.304 3.922 0.382 17628 2035 1 4 . 1 1 84 84 ALA C C 84 177.704 177.704 177.347 0.357 17628 2036 1 4 . 1 1 84 84 ALA CA C 84 52.535 52.535 53.728 -1.193 17628 2037 1 4 . 1 1 84 84 ALA CB C 84 19.334 19.334 17.570 1.764 17628 2038 1 4 . 1 1 84 84 ALA H H 84 8.162 8.162 8.604 -0.442 17628 2039 1 4 . 1 1 85 85 THR N N 85 112.934 112.934 108.026 4.908 17628 2040 1 4 . 1 1 85 85 THR HA H 85 4.264 4.264 4.288 -0.024 17628 2041 1 4 . 1 1 85 85 THR C C 85 174.231 174.231 175.071 -0.840 17628 2042 1 4 . 1 1 85 85 THR CA C 85 61.831 61.831 61.538 0.293 17628 2043 1 4 . 1 1 85 85 THR CB C 85 69.955 69.955 69.467 0.488 17628 2044 1 4 . 1 1 85 85 THR H H 85 7.981 7.981 8.175 -0.194 17628 2045 1 4 . 1 1 86 86 GLN N N 86 123.516 123.516 121.041 2.475 17628 2046 1 4 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.451 0.159 17628 2047 1 4 . 1 1 86 86 GLN C C 86 173.352 173.352 174.871 -1.519 17628 2048 1 4 . 1 1 86 86 GLN CA C 86 53.606 53.606 54.426 -0.820 17628 2049 1 4 . 1 1 86 86 GLN CB C 86 29.094 29.094 27.460 1.634 17628 2050 1 4 . 1 1 86 86 GLN H H 86 8.217 8.217 7.756 0.461 17628 2051 1 4 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.207 0.206 17628 2052 1 4 . 1 1 88 88 PRO C C 88 176.930 176.930 176.488 0.442 17628 2053 1 4 . 1 1 88 88 PRO CA C 88 63.105 63.105 63.569 -0.464 17628 2054 1 4 . 1 1 88 88 PRO CB C 88 32.160 32.160 31.996 0.164 17628 2055 1 4 . 1 1 89 89 SER N N 89 116.298 116.298 116.080 0.218 17628 2056 1 4 . 1 1 89 89 SER HA H 89 4.419 4.419 4.438 -0.019 17628 2057 1 4 . 1 1 89 89 SER C C 89 174.469 174.469 174.127 0.342 17628 2058 1 4 . 1 1 89 89 SER CA C 89 58.378 58.378 58.712 -0.334 17628 2059 1 4 . 1 1 89 89 SER CB C 89 63.995 63.995 64.539 -0.544 17628 2060 1 4 . 1 1 89 89 SER H H 89 8.358 8.358 8.148 0.210 17628 2061 1 4 . 1 1 90 90 GLU N N 90 122.340 122.340 126.206 -3.866 17628 2062 1 4 . 1 1 90 90 GLU HA H 90 4.647 4.647 3.706 0.941 17628 2063 1 4 . 1 1 90 90 GLU C C 90 175.971 175.971 175.047 0.924 17628 2064 1 4 . 1 1 90 90 GLU CA C 90 56.350 56.350 58.964 -2.614 17628 2065 1 4 . 1 1 90 90 GLU CB C 90 30.349 30.349 28.582 1.766 17628 2066 1 4 . 1 1 90 90 GLU H H 90 8.338 8.338 8.593 -0.255 17628 2067 1 4 . 1 1 91 91 GLN N N 91 122.043 122.043 122.056 -0.013 17628 2068 1 4 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.346 0.257 17628 2069 1 4 . 1 1 91 91 GLN C C 91 173.879 173.879 175.093 -1.214 17628 2070 1 4 . 1 1 91 91 GLN CA C 91 53.624 53.624 54.910 -1.286 17628 2071 1 4 . 1 1 91 91 GLN CB C 91 29.090 29.090 29.215 -0.126 17628 2072 1 4 . 1 1 91 91 GLN H H 91 8.317 8.317 7.913 0.404 17628 2073 1 4 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.223 0.194 17628 2074 1 4 . 1 1 92 92 PRO C C 92 177.488 177.488 176.661 0.827 17628 2075 1 4 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.981 0.402 17628 2076 1 4 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.420 -0.268 17628 2077 1 4 . 1 1 93 93 GLY N N 93 109.201 109.201 105.355 3.846 17628 2078 1 4 . 1 1 93 93 GLY C C 93 174.619 174.619 172.878 1.741 17628 2079 1 4 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.540 0.803 17628 2080 1 4 . 1 1 93 93 GLY H H 93 8.480 8.480 8.553 -0.073 17628 2081 1 4 . 1 1 94 94 THR N N 94 112.828 112.828 112.169 0.659 17628 2082 1 4 . 1 1 94 94 THR HA H 94 4.356 4.356 4.471 -0.115 17628 2083 1 4 . 1 1 94 94 THR C C 94 174.510 174.510 172.745 1.765 17628 2084 1 4 . 1 1 94 94 THR CA C 94 61.816 61.816 61.361 0.455 17628 2085 1 4 . 1 1 94 94 THR CB C 94 69.913 69.913 71.539 -1.626 17628 2086 1 4 . 1 1 94 94 THR H H 94 8.044 8.044 8.029 0.015 17628 2087 1 4 . 1 1 95 95 ASP N N 95 122.173 122.173 124.222 -2.049 17628 2088 1 4 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.758 -0.152 17628 2089 1 4 . 1 1 95 95 ASP C C 95 176.584 176.584 174.423 2.161 17628 2090 1 4 . 1 1 95 95 ASP CA C 95 54.631 54.631 54.947 -0.316 17628 2091 1 4 . 1 1 95 95 ASP CB C 95 41.067 41.067 41.791 -0.724 17628 2092 1 4 . 1 1 95 95 ASP H H 95 8.413 8.413 8.414 -0.001 17628 2093 1 4 . 1 1 96 96 GLY N N 96 109.220 109.220 112.715 -3.495 17628 2094 1 4 . 1 1 96 96 GLY C C 96 173.454 173.454 171.674 1.780 17628 2095 1 4 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.099 0.566 17628 2096 1 4 . 1 1 96 96 GLY H H 96 8.290 8.290 8.242 0.048 17628 2097 1 5 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.716 -0.307 17628 2098 1 5 . 1 1 2 2 PRO C C 2 176.726 176.726 177.362 -0.636 17628 2099 1 5 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.475 0.546 17628 2100 1 5 . 1 1 2 2 PRO CB C 2 32.135 32.135 32.438 -0.303 17628 2101 1 5 . 1 1 3 3 VAL N N 3 120.494 120.494 117.006 3.488 17628 2102 1 5 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.197 -0.203 17628 2103 1 5 . 1 1 3 3 VAL C C 3 175.979 175.979 175.805 0.174 17628 2104 1 5 . 1 1 3 3 VAL CA C 3 62.467 62.467 61.571 0.896 17628 2105 1 5 . 1 1 3 3 VAL CB C 3 32.545 32.545 32.860 -0.315 17628 2106 1 5 . 1 1 3 3 VAL H H 3 8.140 8.140 8.005 0.135 17628 2107 1 5 . 1 1 4 4 LYS N N 4 126.411 126.411 122.337 4.074 17628 2108 1 5 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.554 0.030 17628 2109 1 5 . 1 1 4 4 LYS C C 4 174.350 174.350 174.742 -0.392 17628 2110 1 5 . 1 1 4 4 LYS CA C 4 54.055 54.055 53.887 0.168 17628 2111 1 5 . 1 1 4 4 LYS CB C 4 32.579 32.579 32.317 0.262 17628 2112 1 5 . 1 1 4 4 LYS H H 4 8.276 8.276 8.310 -0.034 17628 2113 1 5 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.293 0.132 17628 2114 1 5 . 1 1 5 5 PRO C C 5 176.929 176.929 176.847 0.082 17628 2115 1 5 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.920 -0.725 17628 2116 1 5 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.094 0.994 17628 2117 1 5 . 1 1 6 6 SER N N 6 115.564 115.564 118.353 -2.789 17628 2118 1 5 . 1 1 6 6 SER HA H 6 4.379 4.379 3.823 0.556 17628 2119 1 5 . 1 1 6 6 SER C C 6 174.458 174.458 174.059 0.399 17628 2120 1 5 . 1 1 6 6 SER CA C 6 58.418 58.418 59.037 -0.619 17628 2121 1 5 . 1 1 6 6 SER CB C 6 63.981 63.981 62.083 1.898 17628 2122 1 5 . 1 1 6 6 SER H H 6 8.283 8.283 8.738 -0.455 17628 2123 1 5 . 1 1 7 7 ARG N N 7 122.599 122.599 117.427 5.172 17628 2124 1 5 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.717 0.707 17628 2125 1 5 . 1 1 7 7 ARG C C 7 176.216 176.216 175.257 0.959 17628 2126 1 5 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.372 -1.289 17628 2127 1 5 . 1 1 7 7 ARG CB C 7 31.142 31.142 29.405 1.737 17628 2128 1 5 . 1 1 7 7 ARG H H 7 8.321 8.321 8.215 0.106 17628 2129 1 5 . 1 1 8 8 GLY N N 8 110.092 110.092 105.804 4.288 17628 2130 1 5 . 1 1 8 8 GLY C C 8 171.536 171.536 171.329 0.207 17628 2131 1 5 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.850 -0.376 17628 2132 1 5 . 1 1 8 8 GLY H H 8 8.248 8.248 7.859 0.389 17628 2133 1 5 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.619 -0.194 17628 2134 1 5 . 1 1 9 9 PRO C C 9 176.675 176.675 176.171 0.504 17628 2135 1 5 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.023 1.177 17628 2136 1 5 . 1 1 9 9 PRO CB C 9 32.242 32.242 33.015 -0.773 17628 2137 1 5 . 1 1 10 10 LEU N N 10 120.335 120.335 120.446 -0.111 17628 2138 1 5 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.813 -0.298 17628 2139 1 5 . 1 1 10 10 LEU C C 10 176.413 176.413 177.043 -0.630 17628 2140 1 5 . 1 1 10 10 LEU CA C 10 54.400 54.400 53.853 0.547 17628 2141 1 5 . 1 1 10 10 LEU CB C 10 43.946 43.946 42.079 1.867 17628 2142 1 5 . 1 1 10 10 LEU H H 10 8.018 8.018 8.247 -0.229 17628 2143 1 5 . 1 1 11 11 VAL N N 11 120.543 120.543 126.847 -6.304 17628 2144 1 5 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.332 0.123 17628 2145 1 5 . 1 1 11 11 VAL C C 11 174.141 174.141 175.801 -1.660 17628 2146 1 5 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.415 -1.147 17628 2147 1 5 . 1 1 11 11 VAL CB C 11 35.006 35.006 33.349 1.657 17628 2148 1 5 . 1 1 11 11 VAL H H 11 9.111 9.111 7.899 1.212 17628 2149 1 5 . 1 1 12 12 THR N N 12 120.707 120.707 124.249 -3.542 17628 2150 1 5 . 1 1 12 12 THR HA H 12 4.883 4.883 4.549 0.334 17628 2151 1 5 . 1 1 12 12 THR C C 12 173.103 173.103 173.856 -0.753 17628 2152 1 5 . 1 1 12 12 THR CA C 12 62.760 62.760 63.858 -1.098 17628 2153 1 5 . 1 1 12 12 THR CB C 12 69.037 69.037 69.439 -0.401 17628 2154 1 5 . 1 1 12 12 THR H H 12 8.886 8.886 8.661 0.225 17628 2155 1 5 . 1 1 13 13 CYS N N 13 124.651 124.651 124.744 -0.093 17628 2156 1 5 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.911 -0.029 17628 2157 1 5 . 1 1 13 13 CYS C C 13 174.463 174.463 174.717 -0.254 17628 2158 1 5 . 1 1 13 13 CYS CA C 13 52.122 52.122 57.993 -5.872 17628 2159 1 5 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.582 10.825 17628 2160 1 5 . 1 1 13 13 CYS H H 13 9.165 9.165 9.227 -0.062 17628 2161 1 5 . 1 1 14 14 THR N N 14 121.496 121.496 118.865 2.631 17628 2162 1 5 . 1 1 14 14 THR HA H 14 4.001 4.001 4.075 -0.074 17628 2163 1 5 . 1 1 14 14 THR C C 14 172.453 172.453 173.912 -1.459 17628 2164 1 5 . 1 1 14 14 THR CA C 14 66.024 66.024 64.586 1.438 17628 2165 1 5 . 1 1 14 14 THR CB C 14 69.319 69.319 68.990 0.328 17628 2166 1 5 . 1 1 14 14 THR H H 14 8.931 8.931 8.786 0.145 17628 2167 1 5 . 1 1 15 15 CYS N N 15 129.296 129.296 129.240 0.056 17628 2168 1 5 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.290 -0.256 17628 2169 1 5 . 1 1 15 15 CYS C C 15 174.111 174.111 174.055 0.056 17628 2170 1 5 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.235 -0.228 17628 2171 1 5 . 1 1 15 15 CYS CB C 15 37.153 37.153 27.362 9.791 17628 2172 1 5 . 1 1 15 15 CYS H H 15 8.227 8.227 9.263 -1.036 17628 2173 1 5 . 1 1 16 16 GLU N N 16 127.625 127.625 127.014 0.611 17628 2174 1 5 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.616 -0.103 17628 2175 1 5 . 1 1 16 16 GLU C C 16 173.185 173.185 175.434 -2.249 17628 2176 1 5 . 1 1 16 16 GLU CA C 16 56.082 56.082 54.770 1.312 17628 2177 1 5 . 1 1 16 16 GLU CB C 16 32.050 32.050 28.728 3.322 17628 2178 1 5 . 1 1 16 16 GLU H H 16 9.106 9.106 8.807 0.299 17628 2179 1 5 . 1 1 17 17 SER N N 17 123.384 123.384 116.874 6.510 17628 2180 1 5 . 1 1 17 17 SER HA H 17 4.503 4.503 4.086 0.417 17628 2181 1 5 . 1 1 17 17 SER C C 17 172.946 172.946 171.677 1.269 17628 2182 1 5 . 1 1 17 17 SER CA C 17 57.341 57.341 59.740 -2.400 17628 2183 1 5 . 1 1 17 17 SER CB C 17 63.379 63.379 61.021 2.358 17628 2184 1 5 . 1 1 17 17 SER H H 17 7.770 7.770 8.294 -0.524 17628 2185 1 5 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.352 0.000 17628 2186 1 5 . 1 1 18 18 PRO C C 18 176.600 176.600 176.706 -0.106 17628 2187 1 5 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.742 0.685 17628 2188 1 5 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.270 -0.263 17628 2189 1 5 . 1 1 19 19 HIS N N 19 113.110 113.110 116.096 -2.986 17628 2190 1 5 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.636 0.042 17628 2191 1 5 . 1 1 19 19 HIS C C 19 175.396 175.396 174.545 0.851 17628 2192 1 5 . 1 1 19 19 HIS CA C 19 55.029 55.029 56.874 -1.845 17628 2193 1 5 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.346 -0.938 17628 2194 1 5 . 1 1 19 19 HIS H H 19 7.898 7.898 7.929 -0.031 17628 2195 1 5 . 1 1 20 20 CYS N N 20 119.283 119.283 116.050 3.233 17628 2196 1 5 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.681 -0.317 17628 2197 1 5 . 1 1 20 20 CYS C C 20 174.956 174.956 174.310 0.646 17628 2198 1 5 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.377 0.387 17628 2199 1 5 . 1 1 20 20 CYS CB C 20 42.002 42.002 31.392 10.610 17628 2200 1 5 . 1 1 20 20 CYS H H 20 7.305 7.305 7.557 -0.252 17628 2201 1 5 . 1 1 21 21 LYS N N 21 124.199 124.199 121.177 3.022 17628 2202 1 5 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.359 0.044 17628 2203 1 5 . 1 1 21 21 LYS C C 21 175.650 175.650 176.909 -1.259 17628 2204 1 5 . 1 1 21 21 LYS CA C 21 56.112 56.112 56.696 -0.584 17628 2205 1 5 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.995 -0.829 17628 2206 1 5 . 1 1 21 21 LYS H H 21 8.851 8.851 8.737 0.114 17628 2207 1 5 . 1 1 22 22 GLY N N 22 108.943 108.943 106.878 2.065 17628 2208 1 5 . 1 1 22 22 GLY C C 22 171.467 171.467 172.900 -1.433 17628 2209 1 5 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.872 -1.435 17628 2210 1 5 . 1 1 22 22 GLY H H 22 7.768 7.768 7.835 -0.067 17628 2211 1 5 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.614 0.200 17628 2212 1 5 . 1 1 23 23 PRO C C 23 177.578 177.578 176.202 1.376 17628 2213 1 5 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.705 -0.495 17628 2214 1 5 . 1 1 23 23 PRO CB C 23 32.385 32.385 31.851 0.534 17628 2215 1 5 . 1 1 24 24 THR N N 24 108.931 108.931 108.915 0.016 17628 2216 1 5 . 1 1 24 24 THR HA H 24 5.358 5.358 5.035 0.323 17628 2217 1 5 . 1 1 24 24 THR C C 24 173.043 173.043 173.840 -0.797 17628 2218 1 5 . 1 1 24 24 THR CA C 24 59.041 59.041 60.383 -1.342 17628 2219 1 5 . 1 1 24 24 THR CB C 24 73.255 73.255 71.990 1.265 17628 2220 1 5 . 1 1 24 24 THR H H 24 7.599 7.599 8.065 -0.466 17628 2221 1 5 . 1 1 25 25 CYS N N 25 115.152 115.152 117.980 -2.828 17628 2222 1 5 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.936 -0.070 17628 2223 1 5 . 1 1 25 25 CYS C C 25 171.952 171.952 173.209 -1.257 17628 2224 1 5 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.215 -3.728 17628 2225 1 5 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.677 15.708 17628 2226 1 5 . 1 1 25 25 CYS H H 25 8.872 8.872 8.827 0.045 17628 2227 1 5 . 1 1 26 26 ARG N N 26 119.551 119.551 124.492 -4.941 17628 2228 1 5 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.958 0.619 17628 2229 1 5 . 1 1 26 26 ARG C C 26 176.621 176.621 175.497 1.124 17628 2230 1 5 . 1 1 26 26 ARG CA C 26 54.125 54.125 55.686 -1.561 17628 2231 1 5 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.957 1.631 17628 2232 1 5 . 1 1 26 26 ARG H H 26 8.481 8.481 8.562 -0.081 17628 2233 1 5 . 1 1 27 27 GLY N N 27 111.192 111.192 110.799 0.393 17628 2234 1 5 . 1 1 27 27 GLY C C 27 170.250 170.250 172.342 -2.092 17628 2235 1 5 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.547 -0.414 17628 2236 1 5 . 1 1 27 27 GLY H H 27 8.866 8.866 8.491 0.375 17628 2237 1 5 . 1 1 28 28 ALA N N 28 123.763 123.763 122.705 1.058 17628 2238 1 5 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.751 -0.338 17628 2239 1 5 . 1 1 28 28 ALA C C 28 177.525 177.525 176.090 1.435 17628 2240 1 5 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.410 3.307 17628 2241 1 5 . 1 1 28 28 ALA CB C 28 19.214 19.214 20.277 -1.063 17628 2242 1 5 . 1 1 28 28 ALA H H 28 7.732 7.732 8.379 -0.647 17628 2243 1 5 . 1 1 29 29 TRP N N 29 112.576 112.576 114.206 -1.630 17628 2244 1 5 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.719 -0.079 17628 2245 1 5 . 1 1 29 29 TRP C C 29 172.901 172.901 173.619 -0.718 17628 2246 1 5 . 1 1 29 29 TRP CA C 29 57.762 57.762 54.349 3.413 17628 2247 1 5 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.528 0.078 17628 2248 1 5 . 1 1 29 29 TRP H H 29 7.830 7.830 7.044 0.786 17628 2249 1 5 . 1 1 30 30 CYS N N 30 116.421 116.421 121.813 -5.392 17628 2250 1 5 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.623 0.271 17628 2251 1 5 . 1 1 30 30 CYS C C 30 176.719 176.719 175.374 1.345 17628 2252 1 5 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.565 -6.868 17628 2253 1 5 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.769 10.486 17628 2254 1 5 . 1 1 30 30 CYS H H 30 9.319 9.319 8.922 0.397 17628 2255 1 5 . 1 1 31 31 THR N N 31 110.073 110.073 118.227 -8.154 17628 2256 1 5 . 1 1 31 31 THR HA H 31 5.917 5.917 5.546 0.371 17628 2257 1 5 . 1 1 31 31 THR C C 31 177.249 177.249 174.317 2.932 17628 2258 1 5 . 1 1 31 31 THR CA C 31 59.845 59.845 60.041 -0.195 17628 2259 1 5 . 1 1 31 31 THR CB C 31 72.586 72.586 70.127 2.459 17628 2260 1 5 . 1 1 31 31 THR H H 31 8.936 8.936 9.373 -0.437 17628 2261 1 5 . 1 1 32 32 VAL N N 32 122.685 122.685 120.614 2.071 17628 2262 1 5 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.046 -0.284 17628 2263 1 5 . 1 1 32 32 VAL C C 32 173.813 173.813 173.974 -0.161 17628 2264 1 5 . 1 1 32 32 VAL CA C 32 63.719 63.719 58.997 4.722 17628 2265 1 5 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.471 0.401 17628 2266 1 5 . 1 1 32 32 VAL H H 32 8.841 8.841 8.976 -0.135 17628 2267 1 5 . 1 1 33 33 VAL N N 33 124.915 124.915 118.950 5.965 17628 2268 1 5 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.779 0.008 17628 2269 1 5 . 1 1 33 33 VAL C C 33 174.014 174.014 173.946 0.068 17628 2270 1 5 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.075 0.387 17628 2271 1 5 . 1 1 33 33 VAL CB C 33 35.688 35.688 33.838 1.850 17628 2272 1 5 . 1 1 33 33 VAL H H 33 9.047 9.047 9.148 -0.101 17628 2273 1 5 . 1 1 34 34 LEU N N 34 127.771 127.771 129.306 -1.535 17628 2274 1 5 . 1 1 34 34 LEU HA H 34 4.889 4.889 5.057 -0.168 17628 2275 1 5 . 1 1 34 34 LEU C C 34 175.433 175.433 176.142 -0.709 17628 2276 1 5 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.165 0.850 17628 2277 1 5 . 1 1 34 34 LEU CB C 34 44.427 44.427 43.394 1.034 17628 2278 1 5 . 1 1 34 34 LEU H H 34 8.450 8.450 7.884 0.566 17628 2279 1 5 . 1 1 35 35 VAL N N 35 125.904 125.904 129.717 -3.813 17628 2280 1 5 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.583 -0.207 17628 2281 1 5 . 1 1 35 35 VAL C C 35 175.098 175.098 175.919 -0.821 17628 2282 1 5 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.256 0.045 17628 2283 1 5 . 1 1 35 35 VAL CB C 35 34.190 34.190 30.611 3.579 17628 2284 1 5 . 1 1 35 35 VAL H H 35 8.868 8.868 9.005 -0.137 17628 2285 1 5 . 1 1 36 36 ARG N N 36 127.282 127.282 129.418 -2.136 17628 2286 1 5 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.179 0.337 17628 2287 1 5 . 1 1 36 36 ARG C C 36 175.068 175.068 175.722 -0.654 17628 2288 1 5 . 1 1 36 36 ARG CA C 36 55.524 55.524 56.062 -0.538 17628 2289 1 5 . 1 1 36 36 ARG CB C 36 31.603 31.603 30.349 1.254 17628 2290 1 5 . 1 1 36 36 ARG H H 36 8.665 8.665 7.914 0.751 17628 2291 1 5 . 1 1 37 37 GLU N N 37 124.628 124.628 121.343 3.285 17628 2292 1 5 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.256 0.142 17628 2293 1 5 . 1 1 37 37 GLU C C 37 175.762 175.762 176.667 -0.905 17628 2294 1 5 . 1 1 37 37 GLU CA C 37 55.477 55.477 56.213 -0.736 17628 2295 1 5 . 1 1 37 37 GLU CB C 37 31.724 31.724 29.903 1.821 17628 2296 1 5 . 1 1 37 37 GLU H H 37 8.458 8.458 8.327 0.131 17628 2297 1 5 . 1 1 38 38 GLU N N 38 123.236 123.236 121.400 1.836 17628 2298 1 5 . 1 1 38 38 GLU HA H 38 4.028 4.028 3.944 0.084 17628 2299 1 5 . 1 1 38 38 GLU C C 38 177.354 177.354 176.302 1.052 17628 2300 1 5 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.890 1.034 17628 2301 1 5 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.771 0.499 17628 2302 1 5 . 1 1 38 38 GLU H H 38 8.628 8.628 8.839 -0.211 17628 2303 1 5 . 1 1 39 39 GLY N N 39 111.764 111.764 108.032 3.732 17628 2304 1 5 . 1 1 39 39 GLY C C 39 173.954 173.954 173.658 0.296 17628 2305 1 5 . 1 1 39 39 GLY CA C 39 45.592 45.592 44.905 0.687 17628 2306 1 5 . 1 1 39 39 GLY H H 39 8.670 8.670 8.630 0.040 17628 2307 1 5 . 1 1 40 40 ARG N N 40 118.313 118.313 119.651 -1.338 17628 2308 1 5 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.679 -0.090 17628 2309 1 5 . 1 1 40 40 ARG C C 40 175.874 175.874 173.733 2.141 17628 2310 1 5 . 1 1 40 40 ARG CA C 40 54.585 54.585 55.002 -0.416 17628 2311 1 5 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.550 0.952 17628 2312 1 5 . 1 1 40 40 ARG H H 40 7.905 7.905 7.901 0.004 17628 2313 1 5 . 1 1 41 41 HIS N N 41 120.013 120.013 116.091 3.922 17628 2314 1 5 . 1 1 41 41 HIS HA H 41 4.855 4.855 5.000 -0.145 17628 2315 1 5 . 1 1 41 41 HIS C C 41 173.290 173.290 172.756 0.534 17628 2316 1 5 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.097 1.109 17628 2317 1 5 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.816 -2.627 17628 2318 1 5 . 1 1 41 41 HIS H H 41 8.512 8.512 8.189 0.323 17628 2319 1 5 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.958 -0.318 17628 2320 1 5 . 1 1 42 42 PRO C C 42 175.777 175.777 176.052 -0.275 17628 2321 1 5 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.817 0.703 17628 2322 1 5 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.444 0.049 17628 2323 1 5 . 1 1 43 43 GLN N N 43 120.474 120.474 123.584 -3.110 17628 2324 1 5 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.520 0.077 17628 2325 1 5 . 1 1 43 43 GLN C C 43 173.963 173.963 174.268 -0.305 17628 2326 1 5 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.895 -0.411 17628 2327 1 5 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.434 0.128 17628 2328 1 5 . 1 1 43 43 GLN H H 43 8.524 8.524 8.278 0.246 17628 2329 1 5 . 1 1 44 44 GLU N N 44 122.323 122.323 126.819 -4.496 17628 2330 1 5 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.279 0.808 17628 2331 1 5 . 1 1 44 44 GLU C C 44 175.650 175.650 175.302 0.348 17628 2332 1 5 . 1 1 44 44 GLU CA C 44 55.435 55.435 55.813 -0.378 17628 2333 1 5 . 1 1 44 44 GLU CB C 44 31.538 31.538 30.083 1.455 17628 2334 1 5 . 1 1 44 44 GLU H H 44 8.751 8.751 8.718 0.033 17628 2335 1 5 . 1 1 45 45 HIS N N 45 122.818 122.818 125.656 -2.838 17628 2336 1 5 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.033 0.356 17628 2337 1 5 . 1 1 45 45 HIS C C 45 174.918 174.918 174.046 0.872 17628 2338 1 5 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.784 -1.626 17628 2339 1 5 . 1 1 45 45 HIS CB C 45 33.390 33.390 32.643 0.747 17628 2340 1 5 . 1 1 45 45 HIS H H 45 9.202 9.202 8.940 0.262 17628 2341 1 5 . 1 1 46 46 ARG N N 46 122.260 122.260 122.507 -0.247 17628 2342 1 5 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.106 0.111 17628 2343 1 5 . 1 1 46 46 ARG C C 46 176.255 176.255 175.130 1.125 17628 2344 1 5 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.971 -0.127 17628 2345 1 5 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.642 -2.249 17628 2346 1 5 . 1 1 46 46 ARG H H 46 8.847 8.847 8.871 -0.024 17628 2347 1 5 . 1 1 47 47 GLY N N 47 114.135 114.135 108.139 5.996 17628 2348 1 5 . 1 1 47 47 GLY C C 47 171.175 171.175 172.178 -1.003 17628 2349 1 5 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.893 1.779 17628 2350 1 5 . 1 1 47 47 GLY H H 47 8.210 8.210 8.659 -0.449 17628 2351 1 5 . 1 1 48 48 CYS N N 48 118.698 118.698 120.551 -1.853 17628 2352 1 5 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.662 -0.470 17628 2353 1 5 . 1 1 48 48 CYS C C 48 173.522 173.522 175.885 -2.363 17628 2354 1 5 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.255 2.345 17628 2355 1 5 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.406 16.527 17628 2356 1 5 . 1 1 48 48 CYS H H 48 8.322 8.322 8.080 0.242 17628 2357 1 5 . 1 1 49 49 GLY N N 49 112.213 112.213 111.137 1.076 17628 2358 1 5 . 1 1 49 49 GLY C C 49 170.413 170.413 173.438 -3.025 17628 2359 1 5 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.013 -1.909 17628 2360 1 5 . 1 1 49 49 GLY H H 49 8.679 8.679 8.915 -0.236 17628 2361 1 5 . 1 1 50 50 ASN N N 50 115.420 115.420 117.693 -2.273 17628 2362 1 5 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.103 -0.075 17628 2363 1 5 . 1 1 50 50 ASN C C 50 173.574 173.574 175.753 -2.179 17628 2364 1 5 . 1 1 50 50 ASN CA C 50 54.381 54.381 54.697 -0.316 17628 2365 1 5 . 1 1 50 50 ASN CB C 50 42.721 42.721 37.344 5.377 17628 2366 1 5 . 1 1 50 50 ASN H H 50 8.103 8.103 7.739 0.364 17628 2367 1 5 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.127 0.528 17628 2368 1 5 . 1 1 51 51 LEU C C 51 176.323 176.323 175.696 0.627 17628 2369 1 5 . 1 1 51 51 LEU CA C 51 54.399 54.399 55.002 -0.603 17628 2370 1 5 . 1 1 51 51 LEU CB C 51 45.606 45.606 40.295 5.311 17628 2371 1 5 . 1 1 52 52 HIS N N 52 115.835 115.835 118.690 -2.855 17628 2372 1 5 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.937 0.050 17628 2373 1 5 . 1 1 52 52 HIS C C 52 176.442 176.442 174.214 2.228 17628 2374 1 5 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.137 0.846 17628 2375 1 5 . 1 1 52 52 HIS CB C 52 26.270 26.270 30.361 -4.091 17628 2376 1 5 . 1 1 52 52 HIS H H 52 8.904 8.904 8.163 0.741 17628 2377 1 5 . 1 1 53 53 ARG N N 53 124.169 124.169 126.545 -2.376 17628 2378 1 5 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.602 -1.282 17628 2379 1 5 . 1 1 53 53 ARG C C 53 177.862 177.862 177.314 0.548 17628 2380 1 5 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.364 -0.006 17628 2381 1 5 . 1 1 53 53 ARG CB C 53 29.654 29.654 31.355 -1.700 17628 2382 1 5 . 1 1 53 53 ARG H H 53 8.876 8.876 8.878 -0.002 17628 2383 1 5 . 1 1 54 54 GLU N N 54 118.465 118.465 119.653 -1.188 17628 2384 1 5 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.043 -0.010 17628 2385 1 5 . 1 1 54 54 GLU C C 54 177.704 177.704 177.146 0.558 17628 2386 1 5 . 1 1 54 54 GLU CA C 54 58.743 58.743 59.016 -0.273 17628 2387 1 5 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.436 -1.492 17628 2388 1 5 . 1 1 54 54 GLU H H 54 9.759 9.759 8.810 0.949 17628 2389 1 5 . 1 1 55 55 LEU N N 55 120.238 120.238 117.081 3.157 17628 2390 1 5 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.235 -0.179 17628 2391 1 5 . 1 1 55 55 LEU C C 55 177.601 177.601 176.687 0.914 17628 2392 1 5 . 1 1 55 55 LEU CA C 55 55.882 55.882 54.595 1.287 17628 2393 1 5 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.389 -0.164 17628 2394 1 5 . 1 1 55 55 LEU H H 55 7.351 7.351 7.709 -0.358 17628 2395 1 5 . 1 1 56 56 CYS N N 56 115.234 115.234 116.105 -0.871 17628 2396 1 5 . 1 1 56 56 CYS HA H 56 4.261 4.261 3.892 0.369 17628 2397 1 5 . 1 1 56 56 CYS C C 56 175.060 175.060 174.874 0.186 17628 2398 1 5 . 1 1 56 56 CYS CA C 56 55.883 55.883 58.291 -2.408 17628 2399 1 5 . 1 1 56 56 CYS CB C 56 38.516 38.516 25.225 13.291 17628 2400 1 5 . 1 1 56 56 CYS H H 56 7.640 7.640 7.681 -0.041 17628 2401 1 5 . 1 1 57 57 ARG N N 57 119.272 119.272 116.219 3.053 17628 2402 1 5 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.286 0.198 17628 2403 1 5 . 1 1 57 57 ARG C C 57 176.114 176.114 175.996 0.118 17628 2404 1 5 . 1 1 57 57 ARG CA C 57 55.323 55.323 56.099 -0.776 17628 2405 1 5 . 1 1 57 57 ARG CB C 57 31.650 31.650 30.834 0.816 17628 2406 1 5 . 1 1 57 57 ARG H H 57 7.626 7.626 7.137 0.489 17628 2407 1 5 . 1 1 58 58 GLY N N 58 108.813 108.813 110.857 -2.044 17628 2408 1 5 . 1 1 58 58 GLY C C 58 173.663 173.663 173.113 0.550 17628 2409 1 5 . 1 1 58 58 GLY CA C 58 45.357 45.357 44.667 0.690 17628 2410 1 5 . 1 1 58 58 GLY H H 58 8.139 8.139 7.712 0.427 17628 2411 1 5 . 1 1 59 59 ARG N N 59 121.042 121.042 119.678 1.364 17628 2412 1 5 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.685 0.071 17628 2413 1 5 . 1 1 59 59 ARG C C 59 174.784 174.784 174.632 0.152 17628 2414 1 5 . 1 1 59 59 ARG CA C 59 53.834 53.834 54.578 -0.744 17628 2415 1 5 . 1 1 59 59 ARG CB C 59 30.716 30.716 30.128 0.588 17628 2416 1 5 . 1 1 59 59 ARG H H 59 8.216 8.216 8.277 -0.061 17628 2417 1 5 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.466 0.008 17628 2418 1 5 . 1 1 60 60 PRO C C 60 176.726 176.726 176.241 0.485 17628 2419 1 5 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.521 0.328 17628 2420 1 5 . 1 1 60 60 PRO CB C 60 31.909 31.909 30.491 1.418 17628 2421 1 5 . 1 1 61 61 THR N N 61 110.945 110.945 116.894 -5.949 17628 2422 1 5 . 1 1 61 61 THR HA H 61 4.426 4.426 4.178 0.248 17628 2423 1 5 . 1 1 61 61 THR C C 61 174.238 174.238 175.916 -1.678 17628 2424 1 5 . 1 1 61 61 THR CA C 61 61.219 61.219 62.735 -1.516 17628 2425 1 5 . 1 1 61 61 THR CB C 61 70.449 70.449 69.235 1.214 17628 2426 1 5 . 1 1 61 61 THR H H 61 7.940 7.940 8.298 -0.358 17628 2427 1 5 . 1 1 62 62 GLU N N 62 119.936 119.936 120.678 -0.742 17628 2428 1 5 . 1 1 62 62 GLU HA H 62 4.170 4.170 3.926 0.244 17628 2429 1 5 . 1 1 62 62 GLU C C 62 175.889 175.889 176.471 -0.582 17628 2430 1 5 . 1 1 62 62 GLU CA C 62 57.090 57.090 58.408 -1.319 17628 2431 1 5 . 1 1 62 62 GLU CB C 62 30.109 30.109 27.512 2.597 17628 2432 1 5 . 1 1 62 62 GLU H H 62 8.342 8.342 8.695 -0.353 17628 2433 1 5 . 1 1 63 63 PHE N N 63 117.934 117.934 115.174 2.760 17628 2434 1 5 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.760 -0.161 17628 2435 1 5 . 1 1 63 63 PHE C C 63 175.367 175.367 174.171 1.196 17628 2436 1 5 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.153 0.997 17628 2437 1 5 . 1 1 63 63 PHE CB C 63 39.511 39.511 39.529 -0.018 17628 2438 1 5 . 1 1 63 63 PHE H H 63 8.137 8.137 7.752 0.385 17628 2439 1 5 . 1 1 64 64 VAL N N 64 120.294 120.294 120.966 -0.672 17628 2440 1 5 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.146 0.237 17628 2441 1 5 . 1 1 64 64 VAL C C 64 174.649 174.649 174.883 -0.234 17628 2442 1 5 . 1 1 64 64 VAL CA C 64 62.287 62.287 60.626 1.661 17628 2443 1 5 . 1 1 64 64 VAL CB C 64 33.405 33.405 32.170 1.235 17628 2444 1 5 . 1 1 64 64 VAL H H 64 7.792 7.792 7.279 0.513 17628 2445 1 5 . 1 1 65 65 ASN N N 65 121.166 121.166 122.899 -1.733 17628 2446 1 5 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.592 0.305 17628 2447 1 5 . 1 1 65 65 ASN C C 65 173.716 173.716 174.147 -0.431 17628 2448 1 5 . 1 1 65 65 ASN CA C 65 52.908 52.908 53.036 -0.128 17628 2449 1 5 . 1 1 65 65 ASN CB C 65 40.357 40.357 37.544 2.813 17628 2450 1 5 . 1 1 65 65 ASN H H 65 8.455 8.455 8.220 0.235 17628 2451 1 5 . 1 1 66 66 HIS N N 66 121.303 121.303 125.913 -4.610 17628 2452 1 5 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.330 -0.279 17628 2453 1 5 . 1 1 66 66 HIS C C 66 172.730 172.730 173.811 -1.081 17628 2454 1 5 . 1 1 66 66 HIS CA C 66 55.764 55.764 55.177 0.587 17628 2455 1 5 . 1 1 66 66 HIS CB C 66 31.856 31.856 29.590 2.266 17628 2456 1 5 . 1 1 66 66 HIS H H 66 8.128 8.128 7.946 0.182 17628 2457 1 5 . 1 1 67 67 TYR N N 67 125.626 125.626 128.478 -2.852 17628 2458 1 5 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.805 0.132 17628 2459 1 5 . 1 1 67 67 TYR C C 67 174.178 174.178 173.580 0.598 17628 2460 1 5 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.855 -0.674 17628 2461 1 5 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.531 0.616 17628 2462 1 5 . 1 1 67 67 TYR H H 67 9.065 9.065 8.434 0.631 17628 2463 1 5 . 1 1 68 68 CYS N N 68 123.801 123.801 120.759 3.042 17628 2464 1 5 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.572 0.227 17628 2465 1 5 . 1 1 68 68 CYS C C 68 171.347 171.347 173.709 -2.362 17628 2466 1 5 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.577 -4.682 17628 2467 1 5 . 1 1 68 68 CYS CB C 68 45.198 45.198 29.543 15.655 17628 2468 1 5 . 1 1 68 68 CYS H H 68 7.902 7.902 7.343 0.559 17628 2469 1 5 . 1 1 69 69 CYS N N 69 115.715 115.715 119.814 -4.099 17628 2470 1 5 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.526 0.256 17628 2471 1 5 . 1 1 69 69 CYS C C 69 173.552 173.552 173.952 -0.400 17628 2472 1 5 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.647 -3.651 17628 2473 1 5 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.743 14.157 17628 2474 1 5 . 1 1 69 69 CYS H H 69 8.843 8.843 8.711 0.132 17628 2475 1 5 . 1 1 70 70 ASP N N 70 120.487 120.487 119.399 1.088 17628 2476 1 5 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.813 0.351 17628 2477 1 5 . 1 1 70 70 ASP C C 70 174.507 174.507 174.718 -0.211 17628 2478 1 5 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.147 0.680 17628 2479 1 5 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.504 0.977 17628 2480 1 5 . 1 1 70 70 ASP H H 70 8.531 8.531 8.729 -0.198 17628 2481 1 5 . 1 1 71 71 SER N N 71 113.179 113.179 114.353 -1.174 17628 2482 1 5 . 1 1 71 71 SER HA H 71 4.896 4.896 4.627 0.269 17628 2483 1 5 . 1 1 71 71 SER C C 71 173.387 173.387 173.556 -0.169 17628 2484 1 5 . 1 1 71 71 SER CA C 71 57.709 57.709 56.448 1.261 17628 2485 1 5 . 1 1 71 71 SER CB C 71 66.587 66.587 65.845 0.742 17628 2486 1 5 . 1 1 71 71 SER H H 71 7.641 7.641 7.594 0.047 17628 2487 1 5 . 1 1 72 72 HIS N N 72 119.348 119.348 119.702 -0.354 17628 2488 1 5 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.557 -0.019 17628 2489 1 5 . 1 1 72 72 HIS C C 72 176.173 176.173 175.978 0.195 17628 2490 1 5 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.080 2.654 17628 2491 1 5 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.768 2.008 17628 2492 1 5 . 1 1 72 72 HIS H H 72 8.308 8.308 8.227 0.081 17628 2493 1 5 . 1 1 73 73 LEU N N 73 123.124 123.124 121.440 1.684 17628 2494 1 5 . 1 1 73 73 LEU HA H 73 3.768 3.768 4.006 -0.238 17628 2495 1 5 . 1 1 73 73 LEU C C 73 178.572 178.572 175.609 2.963 17628 2496 1 5 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.838 0.764 17628 2497 1 5 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.911 0.091 17628 2498 1 5 . 1 1 73 73 LEU H H 73 9.769 9.769 9.115 0.654 17628 2499 1 5 . 1 1 74 74 CYS N N 74 116.789 116.789 118.125 -1.336 17628 2500 1 5 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.524 -0.102 17628 2501 1 5 . 1 1 74 74 CYS C C 74 174.644 174.644 176.362 -1.718 17628 2502 1 5 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.522 -0.962 17628 2503 1 5 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.098 16.170 17628 2504 1 5 . 1 1 74 74 CYS H H 74 8.488 8.488 7.988 0.500 17628 2505 1 5 . 1 1 75 75 ASN N N 75 118.193 118.193 120.294 -2.101 17628 2506 1 5 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.615 -0.197 17628 2507 1 5 . 1 1 75 75 ASN C C 75 175.216 175.216 176.509 -1.293 17628 2508 1 5 . 1 1 75 75 ASN CA C 75 52.578 52.578 55.335 -2.757 17628 2509 1 5 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.161 0.452 17628 2510 1 5 . 1 1 75 75 ASN H H 75 8.432 8.432 8.000 0.432 17628 2511 1 5 . 1 1 76 76 HIS N N 76 120.329 120.329 118.919 1.410 17628 2512 1 5 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.411 -0.244 17628 2513 1 5 . 1 1 76 76 HIS C C 76 174.631 174.631 174.197 0.434 17628 2514 1 5 . 1 1 76 76 HIS CA C 76 59.328 59.328 58.961 0.367 17628 2515 1 5 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.837 -0.129 17628 2516 1 5 . 1 1 76 76 HIS H H 76 7.768 7.768 8.555 -0.787 17628 2517 1 5 . 1 1 77 77 ASN N N 77 115.167 115.167 115.347 -0.180 17628 2518 1 5 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.759 -0.201 17628 2519 1 5 . 1 1 77 77 ASN C C 77 174.522 174.522 174.558 -0.036 17628 2520 1 5 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.083 0.781 17628 2521 1 5 . 1 1 77 77 ASN CB C 77 38.719 38.719 39.571 -0.852 17628 2522 1 5 . 1 1 77 77 ASN H H 77 8.457 8.457 7.549 0.908 17628 2523 1 5 . 1 1 78 78 VAL N N 78 119.202 119.202 121.728 -2.526 17628 2524 1 5 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.133 -0.290 17628 2525 1 5 . 1 1 78 78 VAL C C 78 174.709 174.709 174.804 -0.095 17628 2526 1 5 . 1 1 78 78 VAL CA C 78 62.643 62.643 61.527 1.116 17628 2527 1 5 . 1 1 78 78 VAL CB C 78 33.309 33.309 33.366 -0.057 17628 2528 1 5 . 1 1 78 78 VAL H H 78 6.691 6.691 7.116 -0.425 17628 2529 1 5 . 1 1 79 79 SER HA H 79 4.846 4.846 4.510 0.336 17628 2530 1 5 . 1 1 79 79 SER C C 79 174.082 174.082 173.532 0.550 17628 2531 1 5 . 1 1 79 79 SER CA C 79 56.222 56.222 57.677 -1.455 17628 2532 1 5 . 1 1 79 79 SER CB C 79 64.855 64.855 62.886 1.969 17628 2533 1 5 . 1 1 80 80 LEU N N 80 126.815 126.815 126.531 0.284 17628 2534 1 5 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.448 -0.088 17628 2535 1 5 . 1 1 80 80 LEU C C 80 176.897 176.897 176.440 0.457 17628 2536 1 5 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.860 -0.560 17628 2537 1 5 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.893 -0.222 17628 2538 1 5 . 1 1 80 80 LEU H H 80 9.623 9.623 8.137 1.486 17628 2539 1 5 . 1 1 81 81 VAL N N 81 117.921 117.921 122.713 -4.792 17628 2540 1 5 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.791 0.153 17628 2541 1 5 . 1 1 81 81 VAL C C 81 175.889 175.889 175.810 0.079 17628 2542 1 5 . 1 1 81 81 VAL CA C 81 62.536 62.536 63.093 -0.557 17628 2543 1 5 . 1 1 81 81 VAL CB C 81 32.869 32.869 31.973 0.896 17628 2544 1 5 . 1 1 81 81 VAL H H 81 7.824 7.824 7.601 0.223 17628 2545 1 5 . 1 1 82 82 LEU N N 82 124.533 124.533 127.039 -2.506 17628 2546 1 5 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.418 -0.127 17628 2547 1 5 . 1 1 82 82 LEU C C 82 177.197 177.197 175.680 1.517 17628 2548 1 5 . 1 1 82 82 LEU CA C 82 55.131 55.131 54.988 0.143 17628 2549 1 5 . 1 1 82 82 LEU CB C 82 42.291 42.291 42.138 0.153 17628 2550 1 5 . 1 1 82 82 LEU H H 82 8.059 8.059 8.406 -0.347 17628 2551 1 5 . 1 1 83 83 GLU N N 83 120.926 120.926 120.396 0.530 17628 2552 1 5 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.294 -0.112 17628 2553 1 5 . 1 1 83 83 GLU C C 83 175.897 175.897 175.309 0.588 17628 2554 1 5 . 1 1 83 83 GLU CA C 83 56.515 56.515 55.532 0.983 17628 2555 1 5 . 1 1 83 83 GLU CB C 83 30.167 30.167 31.084 -0.917 17628 2556 1 5 . 1 1 83 83 GLU H H 83 8.047 8.047 7.829 0.218 17628 2557 1 5 . 1 1 84 84 ALA N N 84 124.350 124.350 122.503 1.847 17628 2558 1 5 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.243 0.061 17628 2559 1 5 . 1 1 84 84 ALA C C 84 177.704 177.704 177.378 0.326 17628 2560 1 5 . 1 1 84 84 ALA CA C 84 52.535 52.535 52.703 -0.168 17628 2561 1 5 . 1 1 84 84 ALA CB C 84 19.334 19.334 19.133 0.201 17628 2562 1 5 . 1 1 84 84 ALA H H 84 8.162 8.162 8.152 0.010 17628 2563 1 5 . 1 1 85 85 THR N N 85 112.934 112.934 117.104 -4.170 17628 2564 1 5 . 1 1 85 85 THR HA H 85 4.264 4.264 4.220 0.044 17628 2565 1 5 . 1 1 85 85 THR C C 85 174.231 174.231 173.944 0.287 17628 2566 1 5 . 1 1 85 85 THR CA C 85 61.831 61.831 62.959 -1.128 17628 2567 1 5 . 1 1 85 85 THR CB C 85 69.955 69.955 67.958 1.997 17628 2568 1 5 . 1 1 85 85 THR H H 85 7.981 7.981 8.259 -0.278 17628 2569 1 5 . 1 1 86 86 GLN N N 86 123.516 123.516 127.480 -3.964 17628 2570 1 5 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.644 -0.034 17628 2571 1 5 . 1 1 86 86 GLN C C 86 173.352 173.352 173.113 0.239 17628 2572 1 5 . 1 1 86 86 GLN CA C 86 53.606 53.606 52.531 1.075 17628 2573 1 5 . 1 1 86 86 GLN CB C 86 29.094 29.094 31.041 -1.947 17628 2574 1 5 . 1 1 86 86 GLN H H 86 8.217 8.217 7.723 0.494 17628 2575 1 5 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.647 -0.234 17628 2576 1 5 . 1 1 88 88 PRO C C 88 176.930 176.930 175.836 1.094 17628 2577 1 5 . 1 1 88 88 PRO CA C 88 63.105 63.105 62.613 0.492 17628 2578 1 5 . 1 1 88 88 PRO CB C 88 32.160 32.160 31.849 0.312 17628 2579 1 5 . 1 1 89 89 SER N N 89 116.298 116.298 120.327 -4.029 17628 2580 1 5 . 1 1 89 89 SER HA H 89 4.419 4.419 4.517 -0.098 17628 2581 1 5 . 1 1 89 89 SER C C 89 174.469 174.469 172.821 1.648 17628 2582 1 5 . 1 1 89 89 SER CA C 89 58.378 58.378 59.009 -0.631 17628 2583 1 5 . 1 1 89 89 SER CB C 89 63.995 63.995 63.798 0.196 17628 2584 1 5 . 1 1 89 89 SER H H 89 8.358 8.358 9.263 -0.905 17628 2585 1 5 . 1 1 90 90 GLU N N 90 122.340 122.340 126.078 -3.738 17628 2586 1 5 . 1 1 90 90 GLU HA H 90 4.647 4.647 3.829 0.818 17628 2587 1 5 . 1 1 90 90 GLU C C 90 175.971 175.971 175.082 0.889 17628 2588 1 5 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.648 -1.298 17628 2589 1 5 . 1 1 90 90 GLU CB C 90 30.349 30.349 28.946 1.403 17628 2590 1 5 . 1 1 90 90 GLU H H 90 8.338 8.338 8.213 0.125 17628 2591 1 5 . 1 1 91 91 GLN N N 91 122.043 122.043 125.286 -3.243 17628 2592 1 5 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.681 -0.078 17628 2593 1 5 . 1 1 91 91 GLN C C 91 173.879 173.879 175.699 -1.820 17628 2594 1 5 . 1 1 91 91 GLN CA C 91 53.624 53.624 53.089 0.535 17628 2595 1 5 . 1 1 91 91 GLN CB C 91 29.090 29.090 28.412 0.678 17628 2596 1 5 . 1 1 91 91 GLN H H 91 8.317 8.317 8.560 -0.243 17628 2597 1 5 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.406 0.011 17628 2598 1 5 . 1 1 92 92 PRO C C 92 177.488 177.488 176.979 0.509 17628 2599 1 5 . 1 1 92 92 PRO CA C 92 63.383 63.383 63.707 -0.324 17628 2600 1 5 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.196 -0.043 17628 2601 1 5 . 1 1 93 93 GLY N N 93 109.201 109.201 109.453 -0.252 17628 2602 1 5 . 1 1 93 93 GLY C C 93 174.619 174.619 173.745 0.874 17628 2603 1 5 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.463 -0.120 17628 2604 1 5 . 1 1 93 93 GLY H H 93 8.480 8.480 7.883 0.597 17628 2605 1 5 . 1 1 94 94 THR N N 94 112.828 112.828 114.988 -2.160 17628 2606 1 5 . 1 1 94 94 THR HA H 94 4.356 4.356 4.483 -0.127 17628 2607 1 5 . 1 1 94 94 THR C C 94 174.510 174.510 173.669 0.841 17628 2608 1 5 . 1 1 94 94 THR CA C 94 61.816 61.816 61.189 0.627 17628 2609 1 5 . 1 1 94 94 THR CB C 94 69.913 69.913 70.376 -0.463 17628 2610 1 5 . 1 1 94 94 THR H H 94 8.044 8.044 7.968 0.076 17628 2611 1 5 . 1 1 95 95 ASP N N 95 122.173 122.173 120.491 1.682 17628 2612 1 5 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.787 -0.181 17628 2613 1 5 . 1 1 95 95 ASP C C 95 176.584 176.584 176.396 0.188 17628 2614 1 5 . 1 1 95 95 ASP CA C 95 54.631 54.631 54.333 0.298 17628 2615 1 5 . 1 1 95 95 ASP CB C 95 41.067 41.067 43.630 -2.563 17628 2616 1 5 . 1 1 95 95 ASP H H 95 8.413 8.413 8.438 -0.025 17628 2617 1 5 . 1 1 96 96 GLY N N 96 109.220 109.220 107.837 1.383 17628 2618 1 5 . 1 1 96 96 GLY C C 96 173.454 173.454 172.707 0.747 17628 2619 1 5 . 1 1 96 96 GLY CA C 96 45.665 45.665 44.704 0.961 17628 2620 1 5 . 1 1 96 96 GLY H H 96 8.290 8.290 7.750 0.540 17628 2621 1 6 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.533 -0.124 17628 2622 1 6 . 1 1 2 2 PRO C C 2 176.726 176.726 175.699 1.027 17628 2623 1 6 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.840 0.181 17628 2624 1 6 . 1 1 2 2 PRO CB C 2 32.135 32.135 31.145 0.990 17628 2625 1 6 . 1 1 3 3 VAL N N 3 120.494 120.494 121.558 -1.064 17628 2626 1 6 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.044 -0.050 17628 2627 1 6 . 1 1 3 3 VAL C C 3 175.979 175.979 175.790 0.189 17628 2628 1 6 . 1 1 3 3 VAL CA C 3 62.467 62.467 61.206 1.261 17628 2629 1 6 . 1 1 3 3 VAL CB C 3 32.545 32.545 32.367 0.178 17628 2630 1 6 . 1 1 3 3 VAL H H 3 8.140 8.140 7.221 0.919 17628 2631 1 6 . 1 1 4 4 LYS N N 4 126.411 126.411 128.956 -2.545 17628 2632 1 6 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.362 0.222 17628 2633 1 6 . 1 1 4 4 LYS C C 4 174.350 174.350 174.838 -0.488 17628 2634 1 6 . 1 1 4 4 LYS CA C 4 54.055 54.055 54.664 -0.609 17628 2635 1 6 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.654 0.925 17628 2636 1 6 . 1 1 4 4 LYS H H 4 8.276 8.276 8.359 -0.083 17628 2637 1 6 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.319 0.106 17628 2638 1 6 . 1 1 5 5 PRO C C 5 176.929 176.929 176.192 0.737 17628 2639 1 6 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.520 -0.325 17628 2640 1 6 . 1 1 5 5 PRO CB C 5 32.088 32.088 30.911 1.177 17628 2641 1 6 . 1 1 6 6 SER N N 6 115.564 115.564 119.912 -4.348 17628 2642 1 6 . 1 1 6 6 SER HA H 6 4.379 4.379 3.910 0.469 17628 2643 1 6 . 1 1 6 6 SER C C 6 174.458 174.458 173.777 0.681 17628 2644 1 6 . 1 1 6 6 SER CA C 6 58.418 58.418 59.322 -0.904 17628 2645 1 6 . 1 1 6 6 SER CB C 6 63.981 63.981 61.850 2.131 17628 2646 1 6 . 1 1 6 6 SER H H 6 8.283 8.283 8.616 -0.333 17628 2647 1 6 . 1 1 7 7 ARG N N 7 122.599 122.599 116.750 5.849 17628 2648 1 6 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.785 0.639 17628 2649 1 6 . 1 1 7 7 ARG C C 7 176.216 176.216 175.506 0.710 17628 2650 1 6 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.894 -1.811 17628 2651 1 6 . 1 1 7 7 ARG CB C 7 31.142 31.142 29.456 1.686 17628 2652 1 6 . 1 1 7 7 ARG H H 7 8.321 8.321 8.126 0.195 17628 2653 1 6 . 1 1 8 8 GLY N N 8 110.092 110.092 106.761 3.331 17628 2654 1 6 . 1 1 8 8 GLY C C 8 171.536 171.536 172.279 -0.743 17628 2655 1 6 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.676 -0.202 17628 2656 1 6 . 1 1 8 8 GLY H H 8 8.248 8.248 7.538 0.710 17628 2657 1 6 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.444 -0.019 17628 2658 1 6 . 1 1 9 9 PRO C C 9 176.675 176.675 175.697 0.978 17628 2659 1 6 . 1 1 9 9 PRO CA C 9 63.200 63.200 63.190 0.010 17628 2660 1 6 . 1 1 9 9 PRO CB C 9 32.242 32.242 31.537 0.705 17628 2661 1 6 . 1 1 10 10 LEU N N 10 120.335 120.335 126.397 -6.062 17628 2662 1 6 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.948 -0.433 17628 2663 1 6 . 1 1 10 10 LEU C C 10 176.413 176.413 176.889 -0.476 17628 2664 1 6 . 1 1 10 10 LEU CA C 10 54.400 54.400 53.924 0.476 17628 2665 1 6 . 1 1 10 10 LEU CB C 10 43.946 43.946 42.014 1.932 17628 2666 1 6 . 1 1 10 10 LEU H H 10 8.018 8.018 8.407 -0.389 17628 2667 1 6 . 1 1 11 11 VAL N N 11 120.543 120.543 126.483 -5.940 17628 2668 1 6 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.382 0.073 17628 2669 1 6 . 1 1 11 11 VAL C C 11 174.141 174.141 175.975 -1.834 17628 2670 1 6 . 1 1 11 11 VAL CA C 11 60.268 60.268 60.701 -0.433 17628 2671 1 6 . 1 1 11 11 VAL CB C 11 35.006 35.006 32.293 2.713 17628 2672 1 6 . 1 1 11 11 VAL H H 11 9.111 9.111 7.755 1.356 17628 2673 1 6 . 1 1 12 12 THR N N 12 120.707 120.707 124.589 -3.882 17628 2674 1 6 . 1 1 12 12 THR HA H 12 4.883 4.883 5.154 -0.271 17628 2675 1 6 . 1 1 12 12 THR C C 12 173.103 173.103 173.630 -0.527 17628 2676 1 6 . 1 1 12 12 THR CA C 12 62.760 62.760 63.542 -0.782 17628 2677 1 6 . 1 1 12 12 THR CB C 12 69.037 69.037 70.060 -1.023 17628 2678 1 6 . 1 1 12 12 THR H H 12 8.886 8.886 8.615 0.271 17628 2679 1 6 . 1 1 13 13 CYS N N 13 124.651 124.651 123.434 1.217 17628 2680 1 6 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.854 0.028 17628 2681 1 6 . 1 1 13 13 CYS C C 13 174.463 174.463 173.487 0.976 17628 2682 1 6 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.587 -6.465 17628 2683 1 6 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.955 10.452 17628 2684 1 6 . 1 1 13 13 CYS H H 13 9.165 9.165 8.225 0.940 17628 2685 1 6 . 1 1 14 14 THR N N 14 121.496 121.496 118.649 2.847 17628 2686 1 6 . 1 1 14 14 THR HA H 14 4.001 4.001 4.233 -0.232 17628 2687 1 6 . 1 1 14 14 THR C C 14 172.453 172.453 174.244 -1.791 17628 2688 1 6 . 1 1 14 14 THR CA C 14 66.024 66.024 64.885 1.139 17628 2689 1 6 . 1 1 14 14 THR CB C 14 69.319 69.319 69.126 0.193 17628 2690 1 6 . 1 1 14 14 THR H H 14 8.931 8.931 8.764 0.167 17628 2691 1 6 . 1 1 15 15 CYS N N 15 129.296 129.296 126.195 3.101 17628 2692 1 6 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.850 -0.816 17628 2693 1 6 . 1 1 15 15 CYS C C 15 174.111 174.111 173.405 0.706 17628 2694 1 6 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.153 -0.146 17628 2695 1 6 . 1 1 15 15 CYS CB C 15 37.153 37.153 31.655 5.498 17628 2696 1 6 . 1 1 15 15 CYS H H 15 8.227 8.227 8.463 -0.236 17628 2697 1 6 . 1 1 16 16 GLU N N 16 127.625 127.625 121.738 5.887 17628 2698 1 6 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.600 -0.087 17628 2699 1 6 . 1 1 16 16 GLU C C 16 173.185 173.185 174.769 -1.584 17628 2700 1 6 . 1 1 16 16 GLU CA C 16 56.082 56.082 56.343 -0.261 17628 2701 1 6 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.226 0.824 17628 2702 1 6 . 1 1 16 16 GLU H H 16 9.106 9.106 8.259 0.847 17628 2703 1 6 . 1 1 17 17 SER N N 17 123.384 123.384 115.659 7.725 17628 2704 1 6 . 1 1 17 17 SER HA H 17 4.503 4.503 4.035 0.468 17628 2705 1 6 . 1 1 17 17 SER C C 17 172.946 172.946 171.811 1.135 17628 2706 1 6 . 1 1 17 17 SER CA C 17 57.341 57.341 59.846 -2.505 17628 2707 1 6 . 1 1 17 17 SER CB C 17 63.379 63.379 61.887 1.492 17628 2708 1 6 . 1 1 17 17 SER H H 17 7.770 7.770 8.751 -0.981 17628 2709 1 6 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.496 -0.144 17628 2710 1 6 . 1 1 18 18 PRO C C 18 176.600 176.600 176.522 0.078 17628 2711 1 6 . 1 1 18 18 PRO CA C 18 64.427 64.427 62.943 1.484 17628 2712 1 6 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.221 -0.214 17628 2713 1 6 . 1 1 19 19 HIS N N 19 113.110 113.110 113.707 -0.597 17628 2714 1 6 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.647 0.031 17628 2715 1 6 . 1 1 19 19 HIS C C 19 175.396 175.396 174.230 1.166 17628 2716 1 6 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.668 -0.639 17628 2717 1 6 . 1 1 19 19 HIS CB C 19 29.408 29.408 29.207 0.201 17628 2718 1 6 . 1 1 19 19 HIS H H 19 7.898 7.898 7.345 0.553 17628 2719 1 6 . 1 1 20 20 CYS N N 20 119.283 119.283 118.005 1.278 17628 2720 1 6 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.632 -0.268 17628 2721 1 6 . 1 1 20 20 CYS C C 20 174.956 174.956 174.119 0.837 17628 2722 1 6 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.940 -0.176 17628 2723 1 6 . 1 1 20 20 CYS CB C 20 42.002 42.002 32.067 9.935 17628 2724 1 6 . 1 1 20 20 CYS H H 20 7.305 7.305 7.473 -0.168 17628 2725 1 6 . 1 1 21 21 LYS N N 21 124.199 124.199 122.558 1.641 17628 2726 1 6 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.351 0.052 17628 2727 1 6 . 1 1 21 21 LYS C C 21 175.650 175.650 176.964 -1.314 17628 2728 1 6 . 1 1 21 21 LYS CA C 21 56.112 56.112 57.393 -1.281 17628 2729 1 6 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.436 -0.270 17628 2730 1 6 . 1 1 21 21 LYS H H 21 8.851 8.851 8.830 0.021 17628 2731 1 6 . 1 1 22 22 GLY N N 22 108.943 108.943 107.362 1.581 17628 2732 1 6 . 1 1 22 22 GLY C C 22 171.467 171.467 172.792 -1.325 17628 2733 1 6 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.666 -1.230 17628 2734 1 6 . 1 1 22 22 GLY H H 22 7.768 7.768 7.894 -0.126 17628 2735 1 6 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.563 0.251 17628 2736 1 6 . 1 1 23 23 PRO C C 23 177.578 177.578 175.736 1.842 17628 2737 1 6 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.371 -0.161 17628 2738 1 6 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.730 -0.345 17628 2739 1 6 . 1 1 24 24 THR N N 24 108.931 108.931 107.393 1.538 17628 2740 1 6 . 1 1 24 24 THR HA H 24 5.358 5.358 4.790 0.568 17628 2741 1 6 . 1 1 24 24 THR C C 24 173.043 173.043 173.374 -0.331 17628 2742 1 6 . 1 1 24 24 THR CA C 24 59.041 59.041 59.780 -0.739 17628 2743 1 6 . 1 1 24 24 THR CB C 24 73.255 73.255 71.900 1.355 17628 2744 1 6 . 1 1 24 24 THR H H 24 7.599 7.599 7.893 -0.294 17628 2745 1 6 . 1 1 25 25 CYS N N 25 115.152 115.152 117.074 -1.922 17628 2746 1 6 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.759 0.107 17628 2747 1 6 . 1 1 25 25 CYS C C 25 171.952 171.952 173.796 -1.844 17628 2748 1 6 . 1 1 25 25 CYS CA C 25 53.487 53.487 58.035 -4.548 17628 2749 1 6 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.929 15.456 17628 2750 1 6 . 1 1 25 25 CYS H H 25 8.872 8.872 8.541 0.331 17628 2751 1 6 . 1 1 26 26 ARG N N 26 119.551 119.551 125.018 -5.467 17628 2752 1 6 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.492 1.085 17628 2753 1 6 . 1 1 26 26 ARG C C 26 176.621 176.621 175.547 1.074 17628 2754 1 6 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.518 -2.393 17628 2755 1 6 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.525 2.063 17628 2756 1 6 . 1 1 26 26 ARG H H 26 8.481 8.481 8.790 -0.309 17628 2757 1 6 . 1 1 27 27 GLY N N 27 111.192 111.192 113.068 -1.876 17628 2758 1 6 . 1 1 27 27 GLY C C 27 170.250 170.250 173.051 -2.801 17628 2759 1 6 . 1 1 27 27 GLY CA C 27 45.133 45.133 44.497 0.636 17628 2760 1 6 . 1 1 27 27 GLY H H 27 8.866 8.866 8.319 0.547 17628 2761 1 6 . 1 1 28 28 ALA N N 28 123.763 123.763 122.762 1.001 17628 2762 1 6 . 1 1 28 28 ALA HA H 28 4.413 4.413 5.133 -0.720 17628 2763 1 6 . 1 1 28 28 ALA C C 28 177.525 177.525 176.136 1.389 17628 2764 1 6 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.167 3.550 17628 2765 1 6 . 1 1 28 28 ALA CB C 28 19.214 19.214 21.481 -2.267 17628 2766 1 6 . 1 1 28 28 ALA H H 28 7.732 7.732 7.995 -0.263 17628 2767 1 6 . 1 1 29 29 TRP N N 29 112.576 112.576 113.801 -1.225 17628 2768 1 6 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.823 -0.183 17628 2769 1 6 . 1 1 29 29 TRP C C 29 172.901 172.901 173.483 -0.582 17628 2770 1 6 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.923 3.839 17628 2771 1 6 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.543 0.063 17628 2772 1 6 . 1 1 29 29 TRP H H 29 7.830 7.830 7.291 0.539 17628 2773 1 6 . 1 1 30 30 CYS N N 30 116.421 116.421 121.020 -4.599 17628 2774 1 6 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.433 0.461 17628 2775 1 6 . 1 1 30 30 CYS C C 30 176.719 176.719 175.445 1.274 17628 2776 1 6 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.755 -7.058 17628 2777 1 6 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.089 11.166 17628 2778 1 6 . 1 1 30 30 CYS H H 30 9.319 9.319 8.810 0.509 17628 2779 1 6 . 1 1 31 31 THR N N 31 110.073 110.073 119.420 -9.347 17628 2780 1 6 . 1 1 31 31 THR HA H 31 5.917 5.917 5.643 0.274 17628 2781 1 6 . 1 1 31 31 THR C C 31 177.249 177.249 174.252 2.997 17628 2782 1 6 . 1 1 31 31 THR CA C 31 59.845 59.845 60.077 -0.231 17628 2783 1 6 . 1 1 31 31 THR CB C 31 72.586 72.586 70.177 2.409 17628 2784 1 6 . 1 1 31 31 THR H H 31 8.936 8.936 8.894 0.042 17628 2785 1 6 . 1 1 32 32 VAL N N 32 122.685 122.685 123.218 -0.533 17628 2786 1 6 . 1 1 32 32 VAL HA H 32 4.762 4.762 4.621 0.141 17628 2787 1 6 . 1 1 32 32 VAL C C 32 173.813 173.813 173.928 -0.115 17628 2788 1 6 . 1 1 32 32 VAL CA C 32 63.719 63.719 60.540 3.179 17628 2789 1 6 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.236 0.636 17628 2790 1 6 . 1 1 32 32 VAL H H 32 8.841 8.841 8.985 -0.144 17628 2791 1 6 . 1 1 33 33 VAL N N 33 124.915 124.915 124.556 0.359 17628 2792 1 6 . 1 1 33 33 VAL HA H 33 4.787 4.787 5.224 -0.437 17628 2793 1 6 . 1 1 33 33 VAL C C 33 174.014 174.014 174.278 -0.264 17628 2794 1 6 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.801 -0.339 17628 2795 1 6 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.508 1.180 17628 2796 1 6 . 1 1 33 33 VAL H H 33 9.047 9.047 8.309 0.738 17628 2797 1 6 . 1 1 34 34 LEU N N 34 127.771 127.771 128.936 -1.165 17628 2798 1 6 . 1 1 34 34 LEU HA H 34 4.889 4.889 5.014 -0.125 17628 2799 1 6 . 1 1 34 34 LEU C C 34 175.433 175.433 175.839 -0.406 17628 2800 1 6 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.270 0.745 17628 2801 1 6 . 1 1 34 34 LEU CB C 34 44.427 44.427 44.254 0.173 17628 2802 1 6 . 1 1 34 34 LEU H H 34 8.450 8.450 8.284 0.166 17628 2803 1 6 . 1 1 35 35 VAL N N 35 125.904 125.904 128.236 -2.332 17628 2804 1 6 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.074 0.302 17628 2805 1 6 . 1 1 35 35 VAL C C 35 175.098 175.098 174.943 0.155 17628 2806 1 6 . 1 1 35 35 VAL CA C 35 61.301 61.301 62.077 -0.776 17628 2807 1 6 . 1 1 35 35 VAL CB C 35 34.190 34.190 31.558 2.632 17628 2808 1 6 . 1 1 35 35 VAL H H 35 8.868 8.868 8.693 0.175 17628 2809 1 6 . 1 1 36 36 ARG N N 36 127.282 127.282 128.680 -1.398 17628 2810 1 6 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.164 0.352 17628 2811 1 6 . 1 1 36 36 ARG C C 36 175.068 175.068 176.074 -1.006 17628 2812 1 6 . 1 1 36 36 ARG CA C 36 55.524 55.524 56.075 -0.551 17628 2813 1 6 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.393 0.210 17628 2814 1 6 . 1 1 36 36 ARG H H 36 8.665 8.665 8.627 0.038 17628 2815 1 6 . 1 1 37 37 GLU N N 37 124.628 124.628 122.050 2.578 17628 2816 1 6 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.201 0.197 17628 2817 1 6 . 1 1 37 37 GLU C C 37 175.762 175.762 176.713 -0.951 17628 2818 1 6 . 1 1 37 37 GLU CA C 37 55.477 55.477 57.346 -1.869 17628 2819 1 6 . 1 1 37 37 GLU CB C 37 31.724 31.724 30.285 1.439 17628 2820 1 6 . 1 1 37 37 GLU H H 37 8.458 8.458 8.489 -0.031 17628 2821 1 6 . 1 1 38 38 GLU N N 38 123.236 123.236 119.758 3.478 17628 2822 1 6 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.059 -0.031 17628 2823 1 6 . 1 1 38 38 GLU C C 38 177.354 177.354 176.757 0.597 17628 2824 1 6 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.766 1.158 17628 2825 1 6 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.412 0.858 17628 2826 1 6 . 1 1 38 38 GLU H H 38 8.628 8.628 8.581 0.047 17628 2827 1 6 . 1 1 39 39 GLY N N 39 111.764 111.764 110.137 1.627 17628 2828 1 6 . 1 1 39 39 GLY C C 39 173.954 173.954 174.541 -0.587 17628 2829 1 6 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.020 0.572 17628 2830 1 6 . 1 1 39 39 GLY H H 39 8.670 8.670 8.688 -0.018 17628 2831 1 6 . 1 1 40 40 ARG N N 40 118.313 118.313 122.652 -4.339 17628 2832 1 6 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.477 0.112 17628 2833 1 6 . 1 1 40 40 ARG C C 40 175.874 175.874 175.083 0.791 17628 2834 1 6 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.435 -1.851 17628 2835 1 6 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.680 0.821 17628 2836 1 6 . 1 1 40 40 ARG H H 40 7.905 7.905 7.865 0.040 17628 2837 1 6 . 1 1 41 41 HIS N N 41 120.013 120.013 115.811 4.202 17628 2838 1 6 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.962 -0.107 17628 2839 1 6 . 1 1 41 41 HIS C C 41 173.290 173.290 172.579 0.711 17628 2840 1 6 . 1 1 41 41 HIS CA C 41 54.206 54.206 54.838 -0.632 17628 2841 1 6 . 1 1 41 41 HIS CB C 41 28.189 28.189 32.922 -4.733 17628 2842 1 6 . 1 1 41 41 HIS H H 41 8.512 8.512 8.025 0.487 17628 2843 1 6 . 1 1 42 42 PRO HA H 42 4.640 4.640 5.054 -0.414 17628 2844 1 6 . 1 1 42 42 PRO C C 42 175.777 175.777 175.752 0.025 17628 2845 1 6 . 1 1 42 42 PRO CA C 42 63.520 63.520 61.980 1.540 17628 2846 1 6 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.577 -0.083 17628 2847 1 6 . 1 1 43 43 GLN N N 43 120.474 120.474 123.994 -3.520 17628 2848 1 6 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.483 0.114 17628 2849 1 6 . 1 1 43 43 GLN C C 43 173.963 173.963 174.656 -0.693 17628 2850 1 6 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.466 0.018 17628 2851 1 6 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.666 -0.103 17628 2852 1 6 . 1 1 43 43 GLN H H 43 8.524 8.524 8.279 0.245 17628 2853 1 6 . 1 1 44 44 GLU N N 44 122.323 122.323 125.707 -3.384 17628 2854 1 6 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.272 0.815 17628 2855 1 6 . 1 1 44 44 GLU C C 44 175.650 175.650 175.619 0.031 17628 2856 1 6 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.505 -1.070 17628 2857 1 6 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.755 1.783 17628 2858 1 6 . 1 1 44 44 GLU H H 44 8.751 8.751 8.747 0.004 17628 2859 1 6 . 1 1 45 45 HIS N N 45 122.818 122.818 125.448 -2.630 17628 2860 1 6 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.062 0.327 17628 2861 1 6 . 1 1 45 45 HIS C C 45 174.918 174.918 174.044 0.874 17628 2862 1 6 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.728 -1.570 17628 2863 1 6 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.533 1.857 17628 2864 1 6 . 1 1 45 45 HIS H H 45 9.202 9.202 8.907 0.295 17628 2865 1 6 . 1 1 46 46 ARG N N 46 122.260 122.260 121.930 0.330 17628 2866 1 6 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.344 -0.127 17628 2867 1 6 . 1 1 46 46 ARG C C 46 176.255 176.255 175.100 1.155 17628 2868 1 6 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.195 0.649 17628 2869 1 6 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.587 -2.194 17628 2870 1 6 . 1 1 46 46 ARG H H 46 8.847 8.847 8.683 0.164 17628 2871 1 6 . 1 1 47 47 GLY N N 47 114.135 114.135 107.826 6.309 17628 2872 1 6 . 1 1 47 47 GLY C C 47 171.175 171.175 172.348 -1.173 17628 2873 1 6 . 1 1 47 47 GLY CA C 47 47.672 47.672 46.405 1.267 17628 2874 1 6 . 1 1 47 47 GLY H H 47 8.210 8.210 9.029 -0.819 17628 2875 1 6 . 1 1 48 48 CYS N N 48 118.698 118.698 121.090 -2.392 17628 2876 1 6 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.494 -0.302 17628 2877 1 6 . 1 1 48 48 CYS C C 48 173.522 173.522 175.008 -1.486 17628 2878 1 6 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.671 1.929 17628 2879 1 6 . 1 1 48 48 CYS CB C 48 44.933 44.933 29.570 15.363 17628 2880 1 6 . 1 1 48 48 CYS H H 48 8.322 8.322 8.374 -0.052 17628 2881 1 6 . 1 1 49 49 GLY N N 49 112.213 112.213 111.319 0.894 17628 2882 1 6 . 1 1 49 49 GLY C C 49 170.413 170.413 173.204 -2.791 17628 2883 1 6 . 1 1 49 49 GLY CA C 49 43.104 43.104 44.667 -1.563 17628 2884 1 6 . 1 1 49 49 GLY H H 49 8.679 8.679 8.498 0.181 17628 2885 1 6 . 1 1 50 50 ASN N N 50 115.420 115.420 123.437 -8.017 17628 2886 1 6 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.507 -0.479 17628 2887 1 6 . 1 1 50 50 ASN C C 50 173.574 173.574 174.903 -1.329 17628 2888 1 6 . 1 1 50 50 ASN CA C 50 54.381 54.381 55.958 -1.577 17628 2889 1 6 . 1 1 50 50 ASN CB C 50 42.721 42.721 38.694 4.027 17628 2890 1 6 . 1 1 50 50 ASN H H 50 8.103 8.103 8.785 -0.682 17628 2891 1 6 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.357 0.298 17628 2892 1 6 . 1 1 51 51 LEU C C 51 176.323 176.323 175.216 1.107 17628 2893 1 6 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.180 0.219 17628 2894 1 6 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.964 3.642 17628 2895 1 6 . 1 1 52 52 HIS N N 52 115.835 115.835 119.749 -3.914 17628 2896 1 6 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.910 0.077 17628 2897 1 6 . 1 1 52 52 HIS C C 52 176.442 176.442 175.413 1.029 17628 2898 1 6 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.765 0.218 17628 2899 1 6 . 1 1 52 52 HIS CB C 52 26.270 26.270 31.126 -4.856 17628 2900 1 6 . 1 1 52 52 HIS H H 52 8.904 8.904 7.849 1.055 17628 2901 1 6 . 1 1 53 53 ARG N N 53 124.169 124.169 124.538 -0.369 17628 2902 1 6 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.627 -1.307 17628 2903 1 6 . 1 1 53 53 ARG C C 53 177.862 177.862 177.472 0.390 17628 2904 1 6 . 1 1 53 53 ARG CA C 53 57.358 57.358 56.717 0.641 17628 2905 1 6 . 1 1 53 53 ARG CB C 53 29.654 29.654 31.246 -1.592 17628 2906 1 6 . 1 1 53 53 ARG H H 53 8.876 8.876 8.874 0.002 17628 2907 1 6 . 1 1 54 54 GLU N N 54 118.465 118.465 120.148 -1.683 17628 2908 1 6 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.114 -0.081 17628 2909 1 6 . 1 1 54 54 GLU C C 54 177.704 177.704 177.743 -0.039 17628 2910 1 6 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.829 -0.086 17628 2911 1 6 . 1 1 54 54 GLU CB C 54 26.944 26.944 27.891 -0.947 17628 2912 1 6 . 1 1 54 54 GLU H H 54 9.759 9.759 8.757 1.002 17628 2913 1 6 . 1 1 55 55 LEU N N 55 120.238 120.238 118.033 2.205 17628 2914 1 6 . 1 1 55 55 LEU HA H 55 4.056 4.056 3.825 0.231 17628 2915 1 6 . 1 1 55 55 LEU C C 55 177.601 177.601 176.133 1.468 17628 2916 1 6 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.408 0.474 17628 2917 1 6 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.490 -0.265 17628 2918 1 6 . 1 1 55 55 LEU H H 55 7.351 7.351 8.082 -0.731 17628 2919 1 6 . 1 1 56 56 CYS N N 56 115.234 115.234 114.253 0.981 17628 2920 1 6 . 1 1 56 56 CYS HA H 56 4.261 4.261 5.120 -0.859 17628 2921 1 6 . 1 1 56 56 CYS C C 56 175.060 175.060 174.359 0.701 17628 2922 1 6 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.337 -1.454 17628 2923 1 6 . 1 1 56 56 CYS CB C 56 38.516 38.516 27.133 11.383 17628 2924 1 6 . 1 1 56 56 CYS H H 56 7.640 7.640 7.500 0.140 17628 2925 1 6 . 1 1 57 57 ARG N N 57 119.272 119.272 119.445 -0.173 17628 2926 1 6 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.615 -0.131 17628 2927 1 6 . 1 1 57 57 ARG C C 57 176.114 176.114 174.940 1.174 17628 2928 1 6 . 1 1 57 57 ARG CA C 57 55.323 55.323 55.522 -0.199 17628 2929 1 6 . 1 1 57 57 ARG CB C 57 31.650 31.650 33.548 -1.899 17628 2930 1 6 . 1 1 57 57 ARG H H 57 7.626 7.626 7.819 -0.193 17628 2931 1 6 . 1 1 58 58 GLY N N 58 108.813 108.813 108.173 0.640 17628 2932 1 6 . 1 1 58 58 GLY C C 58 173.663 173.663 173.228 0.435 17628 2933 1 6 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.167 0.190 17628 2934 1 6 . 1 1 58 58 GLY H H 58 8.139 8.139 8.562 -0.423 17628 2935 1 6 . 1 1 59 59 ARG N N 59 121.042 121.042 121.354 -0.312 17628 2936 1 6 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.732 0.024 17628 2937 1 6 . 1 1 59 59 ARG C C 59 174.784 174.784 173.373 1.411 17628 2938 1 6 . 1 1 59 59 ARG CA C 59 53.834 53.834 53.002 0.832 17628 2939 1 6 . 1 1 59 59 ARG CB C 59 30.716 30.716 32.215 -1.499 17628 2940 1 6 . 1 1 59 59 ARG H H 59 8.216 8.216 8.533 -0.317 17628 2941 1 6 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.538 -0.064 17628 2942 1 6 . 1 1 60 60 PRO C C 60 176.726 176.726 175.680 1.046 17628 2943 1 6 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.026 0.823 17628 2944 1 6 . 1 1 60 60 PRO CB C 60 31.909 31.909 31.700 0.209 17628 2945 1 6 . 1 1 61 61 THR N N 61 110.945 110.945 117.102 -6.157 17628 2946 1 6 . 1 1 61 61 THR HA H 61 4.426 4.426 4.191 0.235 17628 2947 1 6 . 1 1 61 61 THR C C 61 174.238 174.238 174.900 -0.662 17628 2948 1 6 . 1 1 61 61 THR CA C 61 61.219 61.219 62.743 -1.524 17628 2949 1 6 . 1 1 61 61 THR CB C 61 70.449 70.449 70.073 0.376 17628 2950 1 6 . 1 1 61 61 THR H H 61 7.940 7.940 7.941 -0.001 17628 2951 1 6 . 1 1 62 62 GLU N N 62 119.936 119.936 120.626 -0.690 17628 2952 1 6 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.190 -0.020 17628 2953 1 6 . 1 1 62 62 GLU C C 62 175.889 175.889 175.777 0.112 17628 2954 1 6 . 1 1 62 62 GLU CA C 62 57.090 57.090 56.041 1.049 17628 2955 1 6 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.789 0.320 17628 2956 1 6 . 1 1 62 62 GLU H H 62 8.342 8.342 8.326 0.016 17628 2957 1 6 . 1 1 63 63 PHE N N 63 117.934 117.934 116.641 1.293 17628 2958 1 6 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.152 0.447 17628 2959 1 6 . 1 1 63 63 PHE C C 63 175.367 175.367 174.978 0.389 17628 2960 1 6 . 1 1 63 63 PHE CA C 63 58.150 58.150 58.057 0.093 17628 2961 1 6 . 1 1 63 63 PHE CB C 63 39.511 39.511 36.654 2.857 17628 2962 1 6 . 1 1 63 63 PHE H H 63 8.137 8.137 7.296 0.841 17628 2963 1 6 . 1 1 64 64 VAL N N 64 120.294 120.294 118.768 1.526 17628 2964 1 6 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.123 0.260 17628 2965 1 6 . 1 1 64 64 VAL C C 64 174.649 174.649 175.802 -1.153 17628 2966 1 6 . 1 1 64 64 VAL CA C 64 62.287 62.287 62.498 -0.211 17628 2967 1 6 . 1 1 64 64 VAL CB C 64 33.405 33.405 32.419 0.986 17628 2968 1 6 . 1 1 64 64 VAL H H 64 7.792 7.792 7.690 0.102 17628 2969 1 6 . 1 1 65 65 ASN N N 65 121.166 121.166 126.887 -5.721 17628 2970 1 6 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.903 -0.006 17628 2971 1 6 . 1 1 65 65 ASN C C 65 173.716 173.716 173.398 0.318 17628 2972 1 6 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.829 1.079 17628 2973 1 6 . 1 1 65 65 ASN CB C 65 40.357 40.357 38.694 1.663 17628 2974 1 6 . 1 1 65 65 ASN H H 65 8.455 8.455 8.184 0.271 17628 2975 1 6 . 1 1 66 66 HIS N N 66 121.303 121.303 122.918 -1.615 17628 2976 1 6 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.711 -0.660 17628 2977 1 6 . 1 1 66 66 HIS C C 66 172.730 172.730 173.847 -1.117 17628 2978 1 6 . 1 1 66 66 HIS CA C 66 55.764 55.764 53.549 2.215 17628 2979 1 6 . 1 1 66 66 HIS CB C 66 31.856 31.856 29.334 2.522 17628 2980 1 6 . 1 1 66 66 HIS H H 66 8.128 8.128 7.919 0.209 17628 2981 1 6 . 1 1 67 67 TYR N N 67 125.626 125.626 126.466 -0.840 17628 2982 1 6 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.728 0.209 17628 2983 1 6 . 1 1 67 67 TYR C C 67 174.178 174.178 173.373 0.805 17628 2984 1 6 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.545 -0.364 17628 2985 1 6 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.999 0.148 17628 2986 1 6 . 1 1 67 67 TYR H H 67 9.065 9.065 9.024 0.041 17628 2987 1 6 . 1 1 68 68 CYS N N 68 123.801 123.801 120.081 3.720 17628 2988 1 6 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.320 0.479 17628 2989 1 6 . 1 1 68 68 CYS C C 68 171.347 171.347 173.651 -2.304 17628 2990 1 6 . 1 1 68 68 CYS CA C 68 51.895 51.895 55.319 -3.424 17628 2991 1 6 . 1 1 68 68 CYS CB C 68 45.198 45.198 28.300 16.898 17628 2992 1 6 . 1 1 68 68 CYS H H 68 7.902 7.902 7.192 0.710 17628 2993 1 6 . 1 1 69 69 CYS N N 69 115.715 115.715 122.565 -6.850 17628 2994 1 6 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.491 0.291 17628 2995 1 6 . 1 1 69 69 CYS C C 69 173.552 173.552 174.619 -1.067 17628 2996 1 6 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.653 -3.657 17628 2997 1 6 . 1 1 69 69 CYS CB C 69 44.900 44.900 31.031 13.869 17628 2998 1 6 . 1 1 69 69 CYS H H 69 8.843 8.843 8.791 0.052 17628 2999 1 6 . 1 1 70 70 ASP N N 70 120.487 120.487 119.094 1.393 17628 3000 1 6 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.835 0.329 17628 3001 1 6 . 1 1 70 70 ASP C C 70 174.507 174.507 174.886 -0.379 17628 3002 1 6 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.133 0.694 17628 3003 1 6 . 1 1 70 70 ASP CB C 70 42.481 42.481 42.123 0.358 17628 3004 1 6 . 1 1 70 70 ASP H H 70 8.531 8.531 8.806 -0.275 17628 3005 1 6 . 1 1 71 71 SER N N 71 113.179 113.179 114.152 -0.973 17628 3006 1 6 . 1 1 71 71 SER HA H 71 4.896 4.896 4.701 0.195 17628 3007 1 6 . 1 1 71 71 SER C C 71 173.387 173.387 173.392 -0.005 17628 3008 1 6 . 1 1 71 71 SER CA C 71 57.709 57.709 56.487 1.222 17628 3009 1 6 . 1 1 71 71 SER CB C 71 66.587 66.587 65.976 0.611 17628 3010 1 6 . 1 1 71 71 SER H H 71 7.641 7.641 7.362 0.279 17628 3011 1 6 . 1 1 72 72 HIS N N 72 119.348 119.348 120.131 -0.783 17628 3012 1 6 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.598 -0.059 17628 3013 1 6 . 1 1 72 72 HIS C C 72 176.173 176.173 175.696 0.477 17628 3014 1 6 . 1 1 72 72 HIS CA C 72 58.734 58.734 55.846 2.888 17628 3015 1 6 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.895 1.881 17628 3016 1 6 . 1 1 72 72 HIS H H 72 8.308 8.308 8.139 0.169 17628 3017 1 6 . 1 1 73 73 LEU N N 73 123.124 123.124 120.182 2.942 17628 3018 1 6 . 1 1 73 73 LEU HA H 73 3.768 3.768 4.062 -0.294 17628 3019 1 6 . 1 1 73 73 LEU C C 73 178.572 178.572 176.363 2.209 17628 3020 1 6 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.482 1.120 17628 3021 1 6 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.162 0.840 17628 3022 1 6 . 1 1 73 73 LEU H H 73 9.769 9.769 8.878 0.891 17628 3023 1 6 . 1 1 74 74 CYS N N 74 116.789 116.789 119.436 -2.647 17628 3024 1 6 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.539 -0.117 17628 3025 1 6 . 1 1 74 74 CYS C C 74 174.644 174.644 176.587 -1.943 17628 3026 1 6 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.387 -0.827 17628 3027 1 6 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.101 16.167 17628 3028 1 6 . 1 1 74 74 CYS H H 74 8.488 8.488 8.654 -0.166 17628 3029 1 6 . 1 1 75 75 ASN N N 75 118.193 118.193 120.101 -1.908 17628 3030 1 6 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.655 -0.237 17628 3031 1 6 . 1 1 75 75 ASN C C 75 175.216 175.216 176.979 -1.763 17628 3032 1 6 . 1 1 75 75 ASN CA C 75 52.578 52.578 54.845 -2.267 17628 3033 1 6 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.403 0.210 17628 3034 1 6 . 1 1 75 75 ASN H H 75 8.432 8.432 8.130 0.302 17628 3035 1 6 . 1 1 76 76 HIS N N 76 120.329 120.329 119.463 0.866 17628 3036 1 6 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.394 -0.227 17628 3037 1 6 . 1 1 76 76 HIS C C 76 174.631 174.631 174.479 0.152 17628 3038 1 6 . 1 1 76 76 HIS CA C 76 59.328 59.328 58.938 0.390 17628 3039 1 6 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.930 -0.222 17628 3040 1 6 . 1 1 76 76 HIS H H 76 7.768 7.768 8.671 -0.903 17628 3041 1 6 . 1 1 77 77 ASN N N 77 115.167 115.167 113.422 1.745 17628 3042 1 6 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.737 -0.179 17628 3043 1 6 . 1 1 77 77 ASN C C 77 174.522 174.522 174.304 0.218 17628 3044 1 6 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.185 0.679 17628 3045 1 6 . 1 1 77 77 ASN CB C 77 38.719 38.719 39.034 -0.315 17628 3046 1 6 . 1 1 77 77 ASN H H 77 8.457 8.457 7.657 0.800 17628 3047 1 6 . 1 1 78 78 VAL N N 78 119.202 119.202 120.827 -1.625 17628 3048 1 6 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.055 -0.212 17628 3049 1 6 . 1 1 78 78 VAL C C 78 174.709 174.709 174.516 0.193 17628 3050 1 6 . 1 1 78 78 VAL CA C 78 62.643 62.643 62.144 0.499 17628 3051 1 6 . 1 1 78 78 VAL CB C 78 33.309 33.309 33.380 -0.071 17628 3052 1 6 . 1 1 78 78 VAL H H 78 6.691 6.691 7.296 -0.605 17628 3053 1 6 . 1 1 79 79 SER HA H 79 4.846 4.846 4.503 0.343 17628 3054 1 6 . 1 1 79 79 SER C C 79 174.082 174.082 174.598 -0.516 17628 3055 1 6 . 1 1 79 79 SER CA C 79 56.222 56.222 58.267 -2.045 17628 3056 1 6 . 1 1 79 79 SER CB C 79 64.855 64.855 61.739 3.116 17628 3057 1 6 . 1 1 80 80 LEU N N 80 126.815 126.815 128.376 -1.561 17628 3058 1 6 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.394 -0.034 17628 3059 1 6 . 1 1 80 80 LEU C C 80 176.897 176.897 175.359 1.538 17628 3060 1 6 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.568 -0.268 17628 3061 1 6 . 1 1 80 80 LEU CB C 80 42.671 42.671 40.249 2.422 17628 3062 1 6 . 1 1 80 80 LEU H H 80 9.623 9.623 8.252 1.371 17628 3063 1 6 . 1 1 81 81 VAL N N 81 117.921 117.921 119.557 -1.636 17628 3064 1 6 . 1 1 81 81 VAL HA H 81 3.944 3.944 4.078 -0.134 17628 3065 1 6 . 1 1 81 81 VAL C C 81 175.889 175.889 176.239 -0.350 17628 3066 1 6 . 1 1 81 81 VAL CA C 81 62.536 62.536 61.404 1.132 17628 3067 1 6 . 1 1 81 81 VAL CB C 81 32.869 32.869 32.873 -0.004 17628 3068 1 6 . 1 1 81 81 VAL H H 81 7.824 7.824 7.984 -0.160 17628 3069 1 6 . 1 1 82 82 LEU N N 82 124.533 124.533 117.775 6.758 17628 3070 1 6 . 1 1 82 82 LEU HA H 82 4.291 4.291 3.975 0.316 17628 3071 1 6 . 1 1 82 82 LEU C C 82 177.197 177.197 174.859 2.338 17628 3072 1 6 . 1 1 82 82 LEU CA C 82 55.131 55.131 56.263 -1.132 17628 3073 1 6 . 1 1 82 82 LEU CB C 82 42.291 42.291 41.539 0.752 17628 3074 1 6 . 1 1 82 82 LEU H H 82 8.059 8.059 7.545 0.514 17628 3075 1 6 . 1 1 83 83 GLU N N 83 120.926 120.926 118.430 2.496 17628 3076 1 6 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.388 -0.206 17628 3077 1 6 . 1 1 83 83 GLU C C 83 175.897 175.897 175.459 0.438 17628 3078 1 6 . 1 1 83 83 GLU CA C 83 56.515 56.515 55.203 1.312 17628 3079 1 6 . 1 1 83 83 GLU CB C 83 30.167 30.167 31.075 -0.908 17628 3080 1 6 . 1 1 83 83 GLU H H 83 8.047 8.047 7.561 0.486 17628 3081 1 6 . 1 1 84 84 ALA N N 84 124.350 124.350 128.514 -4.164 17628 3082 1 6 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.078 0.226 17628 3083 1 6 . 1 1 84 84 ALA C C 84 177.704 177.704 177.147 0.557 17628 3084 1 6 . 1 1 84 84 ALA CA C 84 52.535 52.535 52.610 -0.075 17628 3085 1 6 . 1 1 84 84 ALA CB C 84 19.334 19.334 17.644 1.690 17628 3086 1 6 . 1 1 84 84 ALA H H 84 8.162 8.162 8.622 -0.460 17628 3087 1 6 . 1 1 85 85 THR N N 85 112.934 112.934 115.735 -2.801 17628 3088 1 6 . 1 1 85 85 THR HA H 85 4.264 4.264 4.051 0.213 17628 3089 1 6 . 1 1 85 85 THR C C 85 174.231 174.231 174.728 -0.497 17628 3090 1 6 . 1 1 85 85 THR CA C 85 61.831 61.831 63.335 -1.504 17628 3091 1 6 . 1 1 85 85 THR CB C 85 69.955 69.955 67.057 2.898 17628 3092 1 6 . 1 1 85 85 THR H H 85 7.981 7.981 8.362 -0.381 17628 3093 1 6 . 1 1 86 86 GLN N N 86 123.516 123.516 125.901 -2.385 17628 3094 1 6 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.696 -0.086 17628 3095 1 6 . 1 1 86 86 GLN C C 86 173.352 173.352 174.230 -0.878 17628 3096 1 6 . 1 1 86 86 GLN CA C 86 53.606 53.606 53.374 0.232 17628 3097 1 6 . 1 1 86 86 GLN CB C 86 29.094 29.094 28.637 0.457 17628 3098 1 6 . 1 1 86 86 GLN H H 86 8.217 8.217 7.873 0.344 17628 3099 1 6 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.557 -0.144 17628 3100 1 6 . 1 1 88 88 PRO C C 88 176.930 176.930 176.272 0.658 17628 3101 1 6 . 1 1 88 88 PRO CA C 88 63.105 63.105 62.542 0.563 17628 3102 1 6 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.195 -0.035 17628 3103 1 6 . 1 1 89 89 SER N N 89 116.298 116.298 120.751 -4.453 17628 3104 1 6 . 1 1 89 89 SER HA H 89 4.419 4.419 4.950 -0.531 17628 3105 1 6 . 1 1 89 89 SER C C 89 174.469 174.469 174.460 0.009 17628 3106 1 6 . 1 1 89 89 SER CA C 89 58.378 58.378 58.008 0.369 17628 3107 1 6 . 1 1 89 89 SER CB C 89 63.995 63.995 63.070 0.925 17628 3108 1 6 . 1 1 89 89 SER H H 89 8.358 8.358 8.496 -0.138 17628 3109 1 6 . 1 1 90 90 GLU N N 90 122.340 122.340 120.509 1.831 17628 3110 1 6 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.021 0.626 17628 3111 1 6 . 1 1 90 90 GLU C C 90 175.971 175.971 176.403 -0.432 17628 3112 1 6 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.192 -0.842 17628 3113 1 6 . 1 1 90 90 GLU CB C 90 30.349 30.349 29.293 1.056 17628 3114 1 6 . 1 1 90 90 GLU H H 90 8.338 8.338 7.948 0.390 17628 3115 1 6 . 1 1 91 91 GLN N N 91 122.043 122.043 119.527 2.516 17628 3116 1 6 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.144 0.459 17628 3117 1 6 . 1 1 91 91 GLN C C 91 173.879 173.879 175.029 -1.150 17628 3118 1 6 . 1 1 91 91 GLN CA C 91 53.624 53.624 56.281 -2.657 17628 3119 1 6 . 1 1 91 91 GLN CB C 91 29.090 29.090 28.525 0.565 17628 3120 1 6 . 1 1 91 91 GLN H H 91 8.317 8.317 8.440 -0.123 17628 3121 1 6 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.557 -0.140 17628 3122 1 6 . 1 1 92 92 PRO C C 92 177.488 177.488 176.565 0.923 17628 3123 1 6 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.061 1.322 17628 3124 1 6 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.303 -0.150 17628 3125 1 6 . 1 1 93 93 GLY N N 93 109.201 109.201 108.683 0.518 17628 3126 1 6 . 1 1 93 93 GLY C C 93 174.619 174.619 173.460 1.159 17628 3127 1 6 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.555 0.788 17628 3128 1 6 . 1 1 93 93 GLY H H 93 8.480 8.480 7.827 0.653 17628 3129 1 6 . 1 1 94 94 THR N N 94 112.828 112.828 115.209 -2.381 17628 3130 1 6 . 1 1 94 94 THR HA H 94 4.356 4.356 4.547 -0.191 17628 3131 1 6 . 1 1 94 94 THR C C 94 174.510 174.510 173.620 0.890 17628 3132 1 6 . 1 1 94 94 THR CA C 94 61.816 61.816 60.891 0.925 17628 3133 1 6 . 1 1 94 94 THR CB C 94 69.913 69.913 70.291 -0.378 17628 3134 1 6 . 1 1 94 94 THR H H 94 8.044 8.044 7.965 0.079 17628 3135 1 6 . 1 1 95 95 ASP N N 95 122.173 122.173 124.171 -1.998 17628 3136 1 6 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.720 -0.114 17628 3137 1 6 . 1 1 95 95 ASP C C 95 176.584 176.584 176.430 0.154 17628 3138 1 6 . 1 1 95 95 ASP CA C 95 54.631 54.631 53.690 0.941 17628 3139 1 6 . 1 1 95 95 ASP CB C 95 41.067 41.067 42.161 -1.094 17628 3140 1 6 . 1 1 95 95 ASP H H 95 8.413 8.413 8.611 -0.198 17628 3141 1 6 . 1 1 96 96 GLY N N 96 109.220 109.220 107.590 1.630 17628 3142 1 6 . 1 1 96 96 GLY C C 96 173.454 173.454 172.865 0.589 17628 3143 1 6 . 1 1 96 96 GLY CA C 96 45.665 45.665 44.561 1.104 17628 3144 1 6 . 1 1 96 96 GLY H H 96 8.290 8.290 7.698 0.592 17628 3145 1 7 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.609 -0.200 17628 3146 1 7 . 1 1 2 2 PRO C C 2 176.726 176.726 176.101 0.625 17628 3147 1 7 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.939 0.082 17628 3148 1 7 . 1 1 2 2 PRO CB C 2 32.135 32.135 32.120 0.015 17628 3149 1 7 . 1 1 3 3 VAL N N 3 120.494 120.494 118.969 1.525 17628 3150 1 7 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.388 -0.394 17628 3151 1 7 . 1 1 3 3 VAL C C 3 175.979 175.979 174.891 1.088 17628 3152 1 7 . 1 1 3 3 VAL CA C 3 62.467 62.467 60.047 2.420 17628 3153 1 7 . 1 1 3 3 VAL CB C 3 32.545 32.545 33.642 -1.097 17628 3154 1 7 . 1 1 3 3 VAL H H 3 8.140 8.140 8.454 -0.314 17628 3155 1 7 . 1 1 4 4 LYS N N 4 126.411 126.411 123.852 2.559 17628 3156 1 7 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.580 0.004 17628 3157 1 7 . 1 1 4 4 LYS C C 4 174.350 174.350 174.779 -0.429 17628 3158 1 7 . 1 1 4 4 LYS CA C 4 54.055 54.055 54.189 -0.134 17628 3159 1 7 . 1 1 4 4 LYS CB C 4 32.579 32.579 32.414 0.165 17628 3160 1 7 . 1 1 4 4 LYS H H 4 8.276 8.276 8.384 -0.108 17628 3161 1 7 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.325 0.100 17628 3162 1 7 . 1 1 5 5 PRO C C 5 176.929 176.929 176.863 0.066 17628 3163 1 7 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.420 -0.225 17628 3164 1 7 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.503 0.586 17628 3165 1 7 . 1 1 6 6 SER N N 6 115.564 115.564 117.543 -1.979 17628 3166 1 7 . 1 1 6 6 SER HA H 6 4.379 4.379 3.958 0.421 17628 3167 1 7 . 1 1 6 6 SER C C 6 174.458 174.458 174.283 0.175 17628 3168 1 7 . 1 1 6 6 SER CA C 6 58.418 58.418 60.229 -1.811 17628 3169 1 7 . 1 1 6 6 SER CB C 6 63.981 63.981 62.345 1.636 17628 3170 1 7 . 1 1 6 6 SER H H 6 8.283 8.283 8.736 -0.453 17628 3171 1 7 . 1 1 7 7 ARG N N 7 122.599 122.599 119.855 2.744 17628 3172 1 7 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.793 0.631 17628 3173 1 7 . 1 1 7 7 ARG C C 7 176.216 176.216 175.984 0.232 17628 3174 1 7 . 1 1 7 7 ARG CA C 7 56.083 56.083 56.976 -0.893 17628 3175 1 7 . 1 1 7 7 ARG CB C 7 31.142 31.142 29.363 1.779 17628 3176 1 7 . 1 1 7 7 ARG H H 7 8.321 8.321 7.715 0.606 17628 3177 1 7 . 1 1 8 8 GLY N N 8 110.092 110.092 106.769 3.323 17628 3178 1 7 . 1 1 8 8 GLY C C 8 171.536 171.536 171.989 -0.453 17628 3179 1 7 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.800 -0.326 17628 3180 1 7 . 1 1 8 8 GLY H H 8 8.248 8.248 7.741 0.507 17628 3181 1 7 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.497 -0.072 17628 3182 1 7 . 1 1 9 9 PRO C C 9 176.675 176.675 175.374 1.301 17628 3183 1 7 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.916 0.284 17628 3184 1 7 . 1 1 9 9 PRO CB C 9 32.242 32.242 31.895 0.347 17628 3185 1 7 . 1 1 10 10 LEU N N 10 120.335 120.335 126.307 -5.972 17628 3186 1 7 . 1 1 10 10 LEU HA H 10 4.515 4.515 5.019 -0.504 17628 3187 1 7 . 1 1 10 10 LEU C C 10 176.413 176.413 176.497 -0.084 17628 3188 1 7 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.313 0.087 17628 3189 1 7 . 1 1 10 10 LEU CB C 10 43.946 43.946 43.053 0.893 17628 3190 1 7 . 1 1 10 10 LEU H H 10 8.018 8.018 8.407 -0.389 17628 3191 1 7 . 1 1 11 11 VAL N N 11 120.543 120.543 128.120 -7.577 17628 3192 1 7 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.398 0.057 17628 3193 1 7 . 1 1 11 11 VAL C C 11 174.141 174.141 174.867 -0.726 17628 3194 1 7 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.211 -0.943 17628 3195 1 7 . 1 1 11 11 VAL CB C 11 35.006 35.006 35.081 -0.075 17628 3196 1 7 . 1 1 11 11 VAL H H 11 9.111 9.111 8.410 0.701 17628 3197 1 7 . 1 1 12 12 THR N N 12 120.707 120.707 123.466 -2.759 17628 3198 1 7 . 1 1 12 12 THR HA H 12 4.883 4.883 5.152 -0.269 17628 3199 1 7 . 1 1 12 12 THR C C 12 173.103 173.103 173.798 -0.695 17628 3200 1 7 . 1 1 12 12 THR CA C 12 62.760 62.760 63.653 -0.893 17628 3201 1 7 . 1 1 12 12 THR CB C 12 69.037 69.037 69.617 -0.580 17628 3202 1 7 . 1 1 12 12 THR H H 12 8.886 8.886 8.549 0.337 17628 3203 1 7 . 1 1 13 13 CYS N N 13 124.651 124.651 124.536 0.115 17628 3204 1 7 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.830 0.052 17628 3205 1 7 . 1 1 13 13 CYS C C 13 174.463 174.463 173.405 1.058 17628 3206 1 7 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.646 -6.524 17628 3207 1 7 . 1 1 13 13 CYS CB C 13 42.407 42.407 32.173 10.234 17628 3208 1 7 . 1 1 13 13 CYS H H 13 9.165 9.165 9.006 0.159 17628 3209 1 7 . 1 1 14 14 THR N N 14 121.496 121.496 119.372 2.124 17628 3210 1 7 . 1 1 14 14 THR HA H 14 4.001 4.001 4.230 -0.229 17628 3211 1 7 . 1 1 14 14 THR C C 14 172.453 172.453 174.281 -1.828 17628 3212 1 7 . 1 1 14 14 THR CA C 14 66.024 66.024 64.698 1.326 17628 3213 1 7 . 1 1 14 14 THR CB C 14 69.319 69.319 68.660 0.659 17628 3214 1 7 . 1 1 14 14 THR H H 14 8.931 8.931 8.701 0.230 17628 3215 1 7 . 1 1 15 15 CYS N N 15 129.296 129.296 128.237 1.059 17628 3216 1 7 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.487 -0.453 17628 3217 1 7 . 1 1 15 15 CYS C C 15 174.111 174.111 174.273 -0.162 17628 3218 1 7 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.125 -0.118 17628 3219 1 7 . 1 1 15 15 CYS CB C 15 37.153 37.153 30.012 7.141 17628 3220 1 7 . 1 1 15 15 CYS H H 15 8.227 8.227 8.806 -0.579 17628 3221 1 7 . 1 1 16 16 GLU N N 16 127.625 127.625 127.109 0.516 17628 3222 1 7 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.605 -0.092 17628 3223 1 7 . 1 1 16 16 GLU C C 16 173.185 173.185 175.372 -2.187 17628 3224 1 7 . 1 1 16 16 GLU CA C 16 56.082 56.082 55.542 0.540 17628 3225 1 7 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.145 0.905 17628 3226 1 7 . 1 1 16 16 GLU H H 16 9.106 9.106 8.573 0.533 17628 3227 1 7 . 1 1 17 17 SER N N 17 123.384 123.384 117.473 5.911 17628 3228 1 7 . 1 1 17 17 SER HA H 17 4.503 4.503 4.085 0.418 17628 3229 1 7 . 1 1 17 17 SER C C 17 172.946 172.946 172.040 0.906 17628 3230 1 7 . 1 1 17 17 SER CA C 17 57.341 57.341 59.900 -2.559 17628 3231 1 7 . 1 1 17 17 SER CB C 17 63.379 63.379 61.917 1.462 17628 3232 1 7 . 1 1 17 17 SER H H 17 7.770 7.770 8.905 -1.135 17628 3233 1 7 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.491 -0.139 17628 3234 1 7 . 1 1 18 18 PRO C C 18 176.600 176.600 177.152 -0.552 17628 3235 1 7 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.743 0.684 17628 3236 1 7 . 1 1 18 18 PRO CB C 18 32.007 32.007 31.939 0.068 17628 3237 1 7 . 1 1 19 19 HIS N N 19 113.110 113.110 115.723 -2.613 17628 3238 1 7 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.643 0.035 17628 3239 1 7 . 1 1 19 19 HIS C C 19 175.396 175.396 174.582 0.814 17628 3240 1 7 . 1 1 19 19 HIS CA C 19 55.029 55.029 56.843 -1.815 17628 3241 1 7 . 1 1 19 19 HIS CB C 19 29.408 29.408 29.825 -0.417 17628 3242 1 7 . 1 1 19 19 HIS H H 19 7.898 7.898 7.986 -0.088 17628 3243 1 7 . 1 1 20 20 CYS N N 20 119.283 119.283 115.596 3.687 17628 3244 1 7 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.667 -0.303 17628 3245 1 7 . 1 1 20 20 CYS C C 20 174.956 174.956 173.814 1.142 17628 3246 1 7 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.681 0.083 17628 3247 1 7 . 1 1 20 20 CYS CB C 20 42.002 42.002 31.911 10.091 17628 3248 1 7 . 1 1 20 20 CYS H H 20 7.305 7.305 7.706 -0.401 17628 3249 1 7 . 1 1 21 21 LYS N N 21 124.199 124.199 121.569 2.630 17628 3250 1 7 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.372 0.031 17628 3251 1 7 . 1 1 21 21 LYS C C 21 175.650 175.650 177.048 -1.398 17628 3252 1 7 . 1 1 21 21 LYS CA C 21 56.112 56.112 57.056 -0.944 17628 3253 1 7 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.046 0.120 17628 3254 1 7 . 1 1 21 21 LYS H H 21 8.851 8.851 8.866 -0.015 17628 3255 1 7 . 1 1 22 22 GLY N N 22 108.943 108.943 106.397 2.546 17628 3256 1 7 . 1 1 22 22 GLY C C 22 171.467 171.467 173.243 -1.776 17628 3257 1 7 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.184 -0.747 17628 3258 1 7 . 1 1 22 22 GLY H H 22 7.768 7.768 8.090 -0.322 17628 3259 1 7 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.673 0.141 17628 3260 1 7 . 1 1 23 23 PRO C C 23 177.578 177.578 175.440 2.138 17628 3261 1 7 . 1 1 23 23 PRO CA C 23 64.210 64.210 63.911 0.299 17628 3262 1 7 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.454 -0.069 17628 3263 1 7 . 1 1 24 24 THR N N 24 108.931 108.931 109.317 -0.386 17628 3264 1 7 . 1 1 24 24 THR HA H 24 5.358 5.358 5.083 0.275 17628 3265 1 7 . 1 1 24 24 THR C C 24 173.043 173.043 173.845 -0.802 17628 3266 1 7 . 1 1 24 24 THR CA C 24 59.041 59.041 60.408 -1.367 17628 3267 1 7 . 1 1 24 24 THR CB C 24 73.255 73.255 71.696 1.559 17628 3268 1 7 . 1 1 24 24 THR H H 24 7.599 7.599 7.928 -0.329 17628 3269 1 7 . 1 1 25 25 CYS N N 25 115.152 115.152 118.437 -3.285 17628 3270 1 7 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.872 -0.006 17628 3271 1 7 . 1 1 25 25 CYS C C 25 171.952 171.952 172.844 -0.892 17628 3272 1 7 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.343 -3.856 17628 3273 1 7 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.914 15.471 17628 3274 1 7 . 1 1 25 25 CYS H H 25 8.872 8.872 8.458 0.414 17628 3275 1 7 . 1 1 26 26 ARG N N 26 119.551 119.551 121.125 -1.574 17628 3276 1 7 . 1 1 26 26 ARG HA H 26 5.577 5.577 5.306 0.271 17628 3277 1 7 . 1 1 26 26 ARG C C 26 176.621 176.621 175.127 1.494 17628 3278 1 7 . 1 1 26 26 ARG CA C 26 54.125 54.125 54.664 -0.539 17628 3279 1 7 . 1 1 26 26 ARG CB C 26 32.588 32.588 32.441 0.147 17628 3280 1 7 . 1 1 26 26 ARG H H 26 8.481 8.481 8.468 0.013 17628 3281 1 7 . 1 1 27 27 GLY N N 27 111.192 111.192 110.564 0.628 17628 3282 1 7 . 1 1 27 27 GLY C C 27 170.250 170.250 172.501 -2.251 17628 3283 1 7 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.095 0.038 17628 3284 1 7 . 1 1 27 27 GLY H H 27 8.866 8.866 8.434 0.432 17628 3285 1 7 . 1 1 28 28 ALA N N 28 123.763 123.763 122.556 1.207 17628 3286 1 7 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.809 -0.396 17628 3287 1 7 . 1 1 28 28 ALA C C 28 177.525 177.525 176.472 1.053 17628 3288 1 7 . 1 1 28 28 ALA CA C 28 54.717 54.717 52.686 2.031 17628 3289 1 7 . 1 1 28 28 ALA CB C 28 19.214 19.214 19.978 -0.764 17628 3290 1 7 . 1 1 28 28 ALA H H 28 7.732 7.732 8.606 -0.874 17628 3291 1 7 . 1 1 29 29 TRP N N 29 112.576 112.576 112.813 -0.237 17628 3292 1 7 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.790 -0.150 17628 3293 1 7 . 1 1 29 29 TRP C C 29 172.901 172.901 174.062 -1.161 17628 3294 1 7 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.273 4.489 17628 3295 1 7 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.436 0.171 17628 3296 1 7 . 1 1 29 29 TRP H H 29 7.830 7.830 7.135 0.695 17628 3297 1 7 . 1 1 30 30 CYS N N 30 116.421 116.421 121.122 -4.701 17628 3298 1 7 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.721 0.173 17628 3299 1 7 . 1 1 30 30 CYS C C 30 176.719 176.719 175.114 1.605 17628 3300 1 7 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.527 -6.830 17628 3301 1 7 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.111 11.143 17628 3302 1 7 . 1 1 30 30 CYS H H 30 9.319 9.319 8.628 0.691 17628 3303 1 7 . 1 1 31 31 THR N N 31 110.073 110.073 118.508 -8.435 17628 3304 1 7 . 1 1 31 31 THR HA H 31 5.917 5.917 5.587 0.330 17628 3305 1 7 . 1 1 31 31 THR C C 31 177.249 177.249 174.286 2.963 17628 3306 1 7 . 1 1 31 31 THR CA C 31 59.845 59.845 60.229 -0.384 17628 3307 1 7 . 1 1 31 31 THR CB C 31 72.586 72.586 70.647 1.938 17628 3308 1 7 . 1 1 31 31 THR H H 31 8.936 8.936 9.411 -0.475 17628 3309 1 7 . 1 1 32 32 VAL N N 32 122.685 122.685 121.685 1.000 17628 3310 1 7 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.345 -0.583 17628 3311 1 7 . 1 1 32 32 VAL C C 32 173.813 173.813 174.386 -0.573 17628 3312 1 7 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.007 4.712 17628 3313 1 7 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.385 0.487 17628 3314 1 7 . 1 1 32 32 VAL H H 32 8.841 8.841 9.236 -0.395 17628 3315 1 7 . 1 1 33 33 VAL N N 33 124.915 124.915 120.192 4.723 17628 3316 1 7 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.690 0.097 17628 3317 1 7 . 1 1 33 33 VAL C C 33 174.014 174.014 174.078 -0.064 17628 3318 1 7 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.516 -0.054 17628 3319 1 7 . 1 1 33 33 VAL CB C 33 35.688 35.688 33.755 1.933 17628 3320 1 7 . 1 1 33 33 VAL H H 33 9.047 9.047 8.883 0.164 17628 3321 1 7 . 1 1 34 34 LEU N N 34 127.771 127.771 128.617 -0.846 17628 3322 1 7 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.931 -0.042 17628 3323 1 7 . 1 1 34 34 LEU C C 34 175.433 175.433 175.890 -0.457 17628 3324 1 7 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.490 0.525 17628 3325 1 7 . 1 1 34 34 LEU CB C 34 44.427 44.427 43.979 0.448 17628 3326 1 7 . 1 1 34 34 LEU H H 34 8.450 8.450 8.002 0.448 17628 3327 1 7 . 1 1 35 35 VAL N N 35 125.904 125.904 128.757 -2.853 17628 3328 1 7 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.119 0.257 17628 3329 1 7 . 1 1 35 35 VAL C C 35 175.098 175.098 175.493 -0.395 17628 3330 1 7 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.666 -0.365 17628 3331 1 7 . 1 1 35 35 VAL CB C 35 34.190 34.190 29.936 4.255 17628 3332 1 7 . 1 1 35 35 VAL H H 35 8.868 8.868 8.669 0.199 17628 3333 1 7 . 1 1 36 36 ARG N N 36 127.282 127.282 127.612 -0.330 17628 3334 1 7 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.202 0.314 17628 3335 1 7 . 1 1 36 36 ARG C C 36 175.068 175.068 175.881 -0.813 17628 3336 1 7 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.149 0.375 17628 3337 1 7 . 1 1 36 36 ARG CB C 36 31.603 31.603 30.686 0.917 17628 3338 1 7 . 1 1 36 36 ARG H H 36 8.665 8.665 8.429 0.236 17628 3339 1 7 . 1 1 37 37 GLU N N 37 124.628 124.628 126.518 -1.890 17628 3340 1 7 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.356 0.041 17628 3341 1 7 . 1 1 37 37 GLU C C 37 175.762 175.762 175.856 -0.094 17628 3342 1 7 . 1 1 37 37 GLU CA C 37 55.477 55.477 56.987 -1.510 17628 3343 1 7 . 1 1 37 37 GLU CB C 37 31.724 31.724 29.162 2.562 17628 3344 1 7 . 1 1 37 37 GLU H H 37 8.458 8.458 8.807 -0.349 17628 3345 1 7 . 1 1 38 38 GLU N N 38 123.236 123.236 126.094 -2.858 17628 3346 1 7 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.431 -0.403 17628 3347 1 7 . 1 1 38 38 GLU C C 38 177.354 177.354 176.131 1.223 17628 3348 1 7 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.006 1.918 17628 3349 1 7 . 1 1 38 38 GLU CB C 38 29.270 29.270 29.956 -0.686 17628 3350 1 7 . 1 1 38 38 GLU H H 38 8.628 8.628 8.222 0.406 17628 3351 1 7 . 1 1 39 39 GLY N N 39 111.764 111.764 112.952 -1.188 17628 3352 1 7 . 1 1 39 39 GLY C C 39 173.954 173.954 173.493 0.461 17628 3353 1 7 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.801 -0.209 17628 3354 1 7 . 1 1 39 39 GLY H H 39 8.670 8.670 8.683 -0.013 17628 3355 1 7 . 1 1 40 40 ARG N N 40 118.313 118.313 118.287 0.026 17628 3356 1 7 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.419 0.170 17628 3357 1 7 . 1 1 40 40 ARG C C 40 175.874 175.874 173.903 1.971 17628 3358 1 7 . 1 1 40 40 ARG CA C 40 54.585 54.585 54.489 0.096 17628 3359 1 7 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.942 0.560 17628 3360 1 7 . 1 1 40 40 ARG H H 40 7.905 7.905 7.948 -0.043 17628 3361 1 7 . 1 1 41 41 HIS N N 41 120.013 120.013 119.902 0.111 17628 3362 1 7 . 1 1 41 41 HIS HA H 41 4.855 4.855 5.084 -0.229 17628 3363 1 7 . 1 1 41 41 HIS C C 41 173.290 173.290 173.112 0.178 17628 3364 1 7 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.024 1.182 17628 3365 1 7 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.191 -2.002 17628 3366 1 7 . 1 1 41 41 HIS H H 41 8.512 8.512 8.350 0.162 17628 3367 1 7 . 1 1 42 42 PRO HA H 42 4.640 4.640 5.025 -0.385 17628 3368 1 7 . 1 1 42 42 PRO C C 42 175.777 175.777 176.122 -0.345 17628 3369 1 7 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.360 1.160 17628 3370 1 7 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.867 -0.374 17628 3371 1 7 . 1 1 43 43 GLN N N 43 120.474 120.474 123.411 -2.937 17628 3372 1 7 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.610 -0.013 17628 3373 1 7 . 1 1 43 43 GLN C C 43 173.963 173.963 174.922 -0.959 17628 3374 1 7 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.581 -0.097 17628 3375 1 7 . 1 1 43 43 GLN CB C 43 32.563 32.563 31.940 0.623 17628 3376 1 7 . 1 1 43 43 GLN H H 43 8.524 8.524 8.012 0.512 17628 3377 1 7 . 1 1 44 44 GLU N N 44 122.323 122.323 126.322 -3.999 17628 3378 1 7 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.408 0.679 17628 3379 1 7 . 1 1 44 44 GLU C C 44 175.650 175.650 175.622 0.028 17628 3380 1 7 . 1 1 44 44 GLU CA C 44 55.435 55.435 55.974 -0.539 17628 3381 1 7 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.474 2.064 17628 3382 1 7 . 1 1 44 44 GLU H H 44 8.751 8.751 8.883 -0.132 17628 3383 1 7 . 1 1 45 45 HIS N N 45 122.818 122.818 124.912 -2.094 17628 3384 1 7 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.019 0.370 17628 3385 1 7 . 1 1 45 45 HIS C C 45 174.918 174.918 174.523 0.395 17628 3386 1 7 . 1 1 45 45 HIS CA C 45 53.158 53.158 55.007 -1.849 17628 3387 1 7 . 1 1 45 45 HIS CB C 45 33.390 33.390 30.740 2.650 17628 3388 1 7 . 1 1 45 45 HIS H H 45 9.202 9.202 8.206 0.996 17628 3389 1 7 . 1 1 46 46 ARG N N 46 122.260 122.260 122.796 -0.536 17628 3390 1 7 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.427 -0.210 17628 3391 1 7 . 1 1 46 46 ARG C C 46 176.255 176.255 175.956 0.299 17628 3392 1 7 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.519 0.325 17628 3393 1 7 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.743 -2.350 17628 3394 1 7 . 1 1 46 46 ARG H H 46 8.847 8.847 8.755 0.092 17628 3395 1 7 . 1 1 47 47 GLY N N 47 114.135 114.135 107.578 6.557 17628 3396 1 7 . 1 1 47 47 GLY C C 47 171.175 171.175 172.097 -0.922 17628 3397 1 7 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.668 2.004 17628 3398 1 7 . 1 1 47 47 GLY H H 47 8.210 8.210 8.731 -0.521 17628 3399 1 7 . 1 1 48 48 CYS N N 48 118.698 118.698 120.524 -1.826 17628 3400 1 7 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.772 -0.580 17628 3401 1 7 . 1 1 48 48 CYS C C 48 173.522 173.522 176.012 -2.490 17628 3402 1 7 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.027 2.573 17628 3403 1 7 . 1 1 48 48 CYS CB C 48 44.933 44.933 29.404 15.529 17628 3404 1 7 . 1 1 48 48 CYS H H 48 8.322 8.322 8.113 0.209 17628 3405 1 7 . 1 1 49 49 GLY N N 49 112.213 112.213 110.766 1.447 17628 3406 1 7 . 1 1 49 49 GLY C C 49 170.413 170.413 174.545 -4.132 17628 3407 1 7 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.769 -2.665 17628 3408 1 7 . 1 1 49 49 GLY H H 49 8.679 8.679 9.149 -0.470 17628 3409 1 7 . 1 1 50 50 ASN N N 50 115.420 115.420 117.309 -1.889 17628 3410 1 7 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.179 -0.151 17628 3411 1 7 . 1 1 50 50 ASN C C 50 173.574 173.574 174.458 -0.884 17628 3412 1 7 . 1 1 50 50 ASN CA C 50 54.381 54.381 56.087 -1.706 17628 3413 1 7 . 1 1 50 50 ASN CB C 50 42.721 42.721 37.557 5.164 17628 3414 1 7 . 1 1 50 50 ASN H H 50 8.103 8.103 8.209 -0.106 17628 3415 1 7 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.544 0.111 17628 3416 1 7 . 1 1 51 51 LEU C C 51 176.323 176.323 175.555 0.768 17628 3417 1 7 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.250 0.149 17628 3418 1 7 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.624 3.982 17628 3419 1 7 . 1 1 52 52 HIS N N 52 115.835 115.835 120.962 -5.127 17628 3420 1 7 . 1 1 52 52 HIS HA H 52 4.987 4.987 5.001 -0.014 17628 3421 1 7 . 1 1 52 52 HIS C C 52 176.442 176.442 174.736 1.706 17628 3422 1 7 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.383 0.600 17628 3423 1 7 . 1 1 52 52 HIS CB C 52 26.270 26.270 32.437 -6.167 17628 3424 1 7 . 1 1 52 52 HIS H H 52 8.904 8.904 7.730 1.174 17628 3425 1 7 . 1 1 53 53 ARG N N 53 124.169 124.169 123.352 0.817 17628 3426 1 7 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.472 -1.152 17628 3427 1 7 . 1 1 53 53 ARG C C 53 177.862 177.862 177.743 0.119 17628 3428 1 7 . 1 1 53 53 ARG CA C 53 57.358 57.358 58.474 -1.117 17628 3429 1 7 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.413 -0.759 17628 3430 1 7 . 1 1 53 53 ARG H H 53 8.876 8.876 8.948 -0.072 17628 3431 1 7 . 1 1 54 54 GLU N N 54 118.465 118.465 119.390 -0.925 17628 3432 1 7 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.177 -0.144 17628 3433 1 7 . 1 1 54 54 GLU C C 54 177.704 177.704 177.593 0.111 17628 3434 1 7 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.453 0.291 17628 3435 1 7 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.255 -1.311 17628 3436 1 7 . 1 1 54 54 GLU H H 54 9.759 9.759 8.720 1.039 17628 3437 1 7 . 1 1 55 55 LEU N N 55 120.238 120.238 118.557 1.681 17628 3438 1 7 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.376 -0.320 17628 3439 1 7 . 1 1 55 55 LEU C C 55 177.601 177.601 176.242 1.359 17628 3440 1 7 . 1 1 55 55 LEU CA C 55 55.882 55.882 54.868 1.014 17628 3441 1 7 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.861 -0.636 17628 3442 1 7 . 1 1 55 55 LEU H H 55 7.351 7.351 7.814 -0.463 17628 3443 1 7 . 1 1 56 56 CYS N N 56 115.234 115.234 117.625 -2.391 17628 3444 1 7 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.947 -0.686 17628 3445 1 7 . 1 1 56 56 CYS C C 56 175.060 175.060 173.904 1.156 17628 3446 1 7 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.815 -1.932 17628 3447 1 7 . 1 1 56 56 CYS CB C 56 38.516 38.516 26.834 11.682 17628 3448 1 7 . 1 1 56 56 CYS H H 56 7.640 7.640 7.661 -0.021 17628 3449 1 7 . 1 1 57 57 ARG N N 57 119.272 119.272 125.526 -6.254 17628 3450 1 7 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.449 0.035 17628 3451 1 7 . 1 1 57 57 ARG C C 57 176.114 176.114 177.098 -0.984 17628 3452 1 7 . 1 1 57 57 ARG CA C 57 55.323 55.323 56.515 -1.192 17628 3453 1 7 . 1 1 57 57 ARG CB C 57 31.650 31.650 30.866 0.784 17628 3454 1 7 . 1 1 57 57 ARG H H 57 7.626 7.626 8.398 -0.772 17628 3455 1 7 . 1 1 58 58 GLY N N 58 108.813 108.813 107.630 1.183 17628 3456 1 7 . 1 1 58 58 GLY C C 58 173.663 173.663 174.268 -0.605 17628 3457 1 7 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.268 0.089 17628 3458 1 7 . 1 1 58 58 GLY H H 58 8.139 8.139 8.133 0.006 17628 3459 1 7 . 1 1 59 59 ARG N N 59 121.042 121.042 120.727 0.315 17628 3460 1 7 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.608 0.148 17628 3461 1 7 . 1 1 59 59 ARG C C 59 174.784 174.784 173.474 1.310 17628 3462 1 7 . 1 1 59 59 ARG CA C 59 53.834 53.834 52.544 1.290 17628 3463 1 7 . 1 1 59 59 ARG CB C 59 30.716 30.716 32.014 -1.298 17628 3464 1 7 . 1 1 59 59 ARG H H 59 8.216 8.216 7.493 0.723 17628 3465 1 7 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.594 -0.120 17628 3466 1 7 . 1 1 60 60 PRO C C 60 176.726 176.726 176.698 0.028 17628 3467 1 7 . 1 1 60 60 PRO CA C 60 63.849 63.849 62.458 1.391 17628 3468 1 7 . 1 1 60 60 PRO CB C 60 31.909 31.909 30.950 0.959 17628 3469 1 7 . 1 1 61 61 THR N N 61 110.945 110.945 115.608 -4.663 17628 3470 1 7 . 1 1 61 61 THR HA H 61 4.426 4.426 4.247 0.179 17628 3471 1 7 . 1 1 61 61 THR C C 61 174.238 174.238 175.144 -0.906 17628 3472 1 7 . 1 1 61 61 THR CA C 61 61.219 61.219 63.126 -1.907 17628 3473 1 7 . 1 1 61 61 THR CB C 61 70.449 70.449 69.770 0.679 17628 3474 1 7 . 1 1 61 61 THR H H 61 7.940 7.940 7.941 -0.001 17628 3475 1 7 . 1 1 62 62 GLU N N 62 119.936 119.936 117.912 2.024 17628 3476 1 7 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.386 -0.216 17628 3477 1 7 . 1 1 62 62 GLU C C 62 175.889 175.889 175.842 0.047 17628 3478 1 7 . 1 1 62 62 GLU CA C 62 57.090 57.090 57.182 -0.092 17628 3479 1 7 . 1 1 62 62 GLU CB C 62 30.109 30.109 31.386 -1.277 17628 3480 1 7 . 1 1 62 62 GLU H H 62 8.342 8.342 8.248 0.094 17628 3481 1 7 . 1 1 63 63 PHE N N 63 117.934 117.934 113.907 4.027 17628 3482 1 7 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.911 -0.312 17628 3483 1 7 . 1 1 63 63 PHE C C 63 175.367 175.367 174.099 1.268 17628 3484 1 7 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.100 1.050 17628 3485 1 7 . 1 1 63 63 PHE CB C 63 39.511 39.511 41.220 -1.709 17628 3486 1 7 . 1 1 63 63 PHE H H 63 8.137 8.137 7.328 0.809 17628 3487 1 7 . 1 1 64 64 VAL N N 64 120.294 120.294 120.943 -0.649 17628 3488 1 7 . 1 1 64 64 VAL HA H 64 4.383 4.383 5.168 -0.785 17628 3489 1 7 . 1 1 64 64 VAL C C 64 174.649 174.649 173.459 1.190 17628 3490 1 7 . 1 1 64 64 VAL CA C 64 62.287 62.287 59.508 2.779 17628 3491 1 7 . 1 1 64 64 VAL CB C 64 33.405 33.405 35.427 -2.022 17628 3492 1 7 . 1 1 64 64 VAL H H 64 7.792 7.792 6.840 0.952 17628 3493 1 7 . 1 1 65 65 ASN N N 65 121.166 121.166 123.631 -2.465 17628 3494 1 7 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.861 0.036 17628 3495 1 7 . 1 1 65 65 ASN C C 65 173.716 173.716 173.939 -0.223 17628 3496 1 7 . 1 1 65 65 ASN CA C 65 52.908 52.908 52.238 0.670 17628 3497 1 7 . 1 1 65 65 ASN CB C 65 40.357 40.357 39.491 0.866 17628 3498 1 7 . 1 1 65 65 ASN H H 65 8.455 8.455 8.345 0.110 17628 3499 1 7 . 1 1 66 66 HIS N N 66 121.303 121.303 122.471 -1.168 17628 3500 1 7 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.332 -0.281 17628 3501 1 7 . 1 1 66 66 HIS C C 66 172.730 172.730 173.596 -0.866 17628 3502 1 7 . 1 1 66 66 HIS CA C 66 55.764 55.764 54.084 1.680 17628 3503 1 7 . 1 1 66 66 HIS CB C 66 31.856 31.856 28.036 3.820 17628 3504 1 7 . 1 1 66 66 HIS H H 66 8.128 8.128 7.783 0.345 17628 3505 1 7 . 1 1 67 67 TYR N N 67 125.626 125.626 126.561 -0.935 17628 3506 1 7 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.665 0.272 17628 3507 1 7 . 1 1 67 67 TYR C C 67 174.178 174.178 173.442 0.736 17628 3508 1 7 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.011 0.170 17628 3509 1 7 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.709 0.438 17628 3510 1 7 . 1 1 67 67 TYR H H 67 9.065 9.065 8.916 0.149 17628 3511 1 7 . 1 1 68 68 CYS N N 68 123.801 123.801 121.279 2.522 17628 3512 1 7 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.359 0.440 17628 3513 1 7 . 1 1 68 68 CYS C C 68 171.347 171.347 173.633 -2.286 17628 3514 1 7 . 1 1 68 68 CYS CA C 68 51.895 51.895 54.604 -2.709 17628 3515 1 7 . 1 1 68 68 CYS CB C 68 45.198 45.198 27.274 17.924 17628 3516 1 7 . 1 1 68 68 CYS H H 68 7.902 7.902 7.669 0.233 17628 3517 1 7 . 1 1 69 69 CYS N N 69 115.715 115.715 122.808 -7.093 17628 3518 1 7 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.607 0.175 17628 3519 1 7 . 1 1 69 69 CYS C C 69 173.552 173.552 173.584 -0.032 17628 3520 1 7 . 1 1 69 69 CYS CA C 69 54.996 54.996 57.401 -2.405 17628 3521 1 7 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.835 14.065 17628 3522 1 7 . 1 1 69 69 CYS H H 69 8.843 8.843 8.903 -0.060 17628 3523 1 7 . 1 1 70 70 ASP N N 70 120.487 120.487 119.708 0.779 17628 3524 1 7 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.868 0.296 17628 3525 1 7 . 1 1 70 70 ASP C C 70 174.507 174.507 174.726 -0.219 17628 3526 1 7 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.063 0.764 17628 3527 1 7 . 1 1 70 70 ASP CB C 70 42.481 42.481 40.560 1.921 17628 3528 1 7 . 1 1 70 70 ASP H H 70 8.531 8.531 8.806 -0.275 17628 3529 1 7 . 1 1 71 71 SER N N 71 113.179 113.179 115.905 -2.726 17628 3530 1 7 . 1 1 71 71 SER HA H 71 4.896 4.896 4.746 0.150 17628 3531 1 7 . 1 1 71 71 SER C C 71 173.387 173.387 173.152 0.235 17628 3532 1 7 . 1 1 71 71 SER CA C 71 57.709 57.709 57.582 0.127 17628 3533 1 7 . 1 1 71 71 SER CB C 71 66.587 66.587 64.939 1.648 17628 3534 1 7 . 1 1 71 71 SER H H 71 7.641 7.641 7.572 0.069 17628 3535 1 7 . 1 1 72 72 HIS N N 72 119.348 119.348 122.969 -3.621 17628 3536 1 7 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.528 0.010 17628 3537 1 7 . 1 1 72 72 HIS C C 72 176.173 176.173 175.847 0.326 17628 3538 1 7 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.151 2.583 17628 3539 1 7 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.783 1.993 17628 3540 1 7 . 1 1 72 72 HIS H H 72 8.308 8.308 8.632 -0.324 17628 3541 1 7 . 1 1 73 73 LEU N N 73 123.124 123.124 119.188 3.936 17628 3542 1 7 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.957 -0.189 17628 3543 1 7 . 1 1 73 73 LEU C C 73 178.572 178.572 176.703 1.869 17628 3544 1 7 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.492 1.109 17628 3545 1 7 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.212 0.790 17628 3546 1 7 . 1 1 73 73 LEU H H 73 9.769 9.769 8.870 0.899 17628 3547 1 7 . 1 1 74 74 CYS N N 74 116.789 116.789 119.153 -2.364 17628 3548 1 7 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.402 0.020 17628 3549 1 7 . 1 1 74 74 CYS C C 74 174.644 174.644 176.546 -1.902 17628 3550 1 7 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.571 -1.011 17628 3551 1 7 . 1 1 74 74 CYS CB C 74 44.268 44.268 27.629 16.639 17628 3552 1 7 . 1 1 74 74 CYS H H 74 8.488 8.488 8.292 0.196 17628 3553 1 7 . 1 1 75 75 ASN N N 75 118.193 118.193 119.226 -1.033 17628 3554 1 7 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.666 -0.248 17628 3555 1 7 . 1 1 75 75 ASN C C 75 175.216 175.216 175.301 -0.085 17628 3556 1 7 . 1 1 75 75 ASN CA C 75 52.578 52.578 54.523 -1.944 17628 3557 1 7 . 1 1 75 75 ASN CB C 75 37.613 37.613 38.179 -0.567 17628 3558 1 7 . 1 1 75 75 ASN H H 75 8.432 8.432 8.224 0.208 17628 3559 1 7 . 1 1 76 76 HIS N N 76 120.329 120.329 116.953 3.376 17628 3560 1 7 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.489 -0.322 17628 3561 1 7 . 1 1 76 76 HIS C C 76 174.631 174.631 174.492 0.139 17628 3562 1 7 . 1 1 76 76 HIS CA C 76 59.328 59.328 57.561 1.767 17628 3563 1 7 . 1 1 76 76 HIS CB C 76 29.708 29.708 30.233 -0.525 17628 3564 1 7 . 1 1 76 76 HIS H H 76 7.768 7.768 7.430 0.338 17628 3565 1 7 . 1 1 77 77 ASN N N 77 115.167 115.167 116.787 -1.620 17628 3566 1 7 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.671 -0.113 17628 3567 1 7 . 1 1 77 77 ASN C C 77 174.522 174.522 173.547 0.975 17628 3568 1 7 . 1 1 77 77 ASN CA C 77 52.864 52.864 53.078 -0.214 17628 3569 1 7 . 1 1 77 77 ASN CB C 77 38.719 38.719 39.237 -0.518 17628 3570 1 7 . 1 1 77 77 ASN H H 77 8.457 8.457 7.539 0.918 17628 3571 1 7 . 1 1 78 78 VAL N N 78 119.202 119.202 119.485 -0.283 17628 3572 1 7 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.268 -0.425 17628 3573 1 7 . 1 1 78 78 VAL C C 78 174.709 174.709 174.774 -0.065 17628 3574 1 7 . 1 1 78 78 VAL CA C 78 62.643 62.643 59.901 2.742 17628 3575 1 7 . 1 1 78 78 VAL CB C 78 33.309 33.309 34.779 -1.470 17628 3576 1 7 . 1 1 78 78 VAL H H 78 6.691 6.691 7.983 -1.292 17628 3577 1 7 . 1 1 79 79 SER HA H 79 4.846 4.846 4.455 0.391 17628 3578 1 7 . 1 1 79 79 SER C C 79 174.082 174.082 173.696 0.386 17628 3579 1 7 . 1 1 79 79 SER CA C 79 56.222 56.222 58.272 -2.050 17628 3580 1 7 . 1 1 79 79 SER CB C 79 64.855 64.855 61.816 3.039 17628 3581 1 7 . 1 1 80 80 LEU N N 80 126.815 126.815 128.298 -1.483 17628 3582 1 7 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.324 0.036 17628 3583 1 7 . 1 1 80 80 LEU C C 80 176.897 176.897 176.005 0.892 17628 3584 1 7 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.445 -0.145 17628 3585 1 7 . 1 1 80 80 LEU CB C 80 42.671 42.671 40.926 1.745 17628 3586 1 7 . 1 1 80 80 LEU H H 80 9.623 9.623 8.136 1.487 17628 3587 1 7 . 1 1 81 81 VAL N N 81 117.921 117.921 115.179 2.742 17628 3588 1 7 . 1 1 81 81 VAL HA H 81 3.944 3.944 4.370 -0.426 17628 3589 1 7 . 1 1 81 81 VAL C C 81 175.889 175.889 176.095 -0.206 17628 3590 1 7 . 1 1 81 81 VAL CA C 81 62.536 62.536 59.937 2.599 17628 3591 1 7 . 1 1 81 81 VAL CB C 81 32.869 32.869 33.581 -0.712 17628 3592 1 7 . 1 1 81 81 VAL H H 81 7.824 7.824 7.769 0.055 17628 3593 1 7 . 1 1 82 82 LEU N N 82 124.533 124.533 120.836 3.697 17628 3594 1 7 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.145 0.146 17628 3595 1 7 . 1 1 82 82 LEU C C 82 177.197 177.197 176.007 1.190 17628 3596 1 7 . 1 1 82 82 LEU CA C 82 55.131 55.131 55.323 -0.192 17628 3597 1 7 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.848 1.443 17628 3598 1 7 . 1 1 82 82 LEU H H 82 8.059 8.059 8.053 0.006 17628 3599 1 7 . 1 1 83 83 GLU N N 83 120.926 120.926 116.680 4.246 17628 3600 1 7 . 1 1 83 83 GLU HA H 83 4.182 4.182 3.727 0.455 17628 3601 1 7 . 1 1 83 83 GLU C C 83 175.897 175.897 174.860 1.037 17628 3602 1 7 . 1 1 83 83 GLU CA C 83 56.515 56.515 57.110 -0.595 17628 3603 1 7 . 1 1 83 83 GLU CB C 83 30.167 30.167 29.091 1.076 17628 3604 1 7 . 1 1 83 83 GLU H H 83 8.047 8.047 8.429 -0.382 17628 3605 1 7 . 1 1 84 84 ALA N N 84 124.350 124.350 123.338 1.012 17628 3606 1 7 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.524 -0.220 17628 3607 1 7 . 1 1 84 84 ALA C C 84 177.704 177.704 175.939 1.765 17628 3608 1 7 . 1 1 84 84 ALA CA C 84 52.535 52.535 51.484 1.051 17628 3609 1 7 . 1 1 84 84 ALA CB C 84 19.334 19.334 21.159 -1.825 17628 3610 1 7 . 1 1 84 84 ALA H H 84 8.162 8.162 7.778 0.384 17628 3611 1 7 . 1 1 85 85 THR N N 85 112.934 112.934 116.908 -3.974 17628 3612 1 7 . 1 1 85 85 THR HA H 85 4.264 4.264 4.099 0.165 17628 3613 1 7 . 1 1 85 85 THR C C 85 174.231 174.231 173.930 0.301 17628 3614 1 7 . 1 1 85 85 THR CA C 85 61.831 61.831 63.699 -1.868 17628 3615 1 7 . 1 1 85 85 THR CB C 85 69.955 69.955 68.074 1.881 17628 3616 1 7 . 1 1 85 85 THR H H 85 7.981 7.981 8.477 -0.496 17628 3617 1 7 . 1 1 86 86 GLN N N 86 123.516 123.516 125.757 -2.241 17628 3618 1 7 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.530 0.080 17628 3619 1 7 . 1 1 86 86 GLN C C 86 173.352 173.352 173.127 0.225 17628 3620 1 7 . 1 1 86 86 GLN CA C 86 53.606 53.606 53.085 0.521 17628 3621 1 7 . 1 1 86 86 GLN CB C 86 29.094 29.094 31.738 -2.644 17628 3622 1 7 . 1 1 86 86 GLN H H 86 8.217 8.217 7.714 0.503 17628 3623 1 7 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.652 -0.239 17628 3624 1 7 . 1 1 88 88 PRO C C 88 176.930 176.930 176.538 0.392 17628 3625 1 7 . 1 1 88 88 PRO CA C 88 63.105 63.105 61.386 1.718 17628 3626 1 7 . 1 1 88 88 PRO CB C 88 32.160 32.160 33.182 -1.022 17628 3627 1 7 . 1 1 89 89 SER N N 89 116.298 116.298 116.060 0.238 17628 3628 1 7 . 1 1 89 89 SER HA H 89 4.419 4.419 4.233 0.186 17628 3629 1 7 . 1 1 89 89 SER C C 89 174.469 174.469 174.170 0.299 17628 3630 1 7 . 1 1 89 89 SER CA C 89 58.378 58.378 60.806 -2.428 17628 3631 1 7 . 1 1 89 89 SER CB C 89 63.995 63.995 63.357 0.638 17628 3632 1 7 . 1 1 89 89 SER H H 89 8.358 8.358 8.547 -0.189 17628 3633 1 7 . 1 1 90 90 GLU N N 90 122.340 122.340 120.177 2.163 17628 3634 1 7 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.371 0.276 17628 3635 1 7 . 1 1 90 90 GLU C C 90 175.971 175.971 175.001 0.970 17628 3636 1 7 . 1 1 90 90 GLU CA C 90 56.350 56.350 55.588 0.762 17628 3637 1 7 . 1 1 90 90 GLU CB C 90 30.349 30.349 30.763 -0.414 17628 3638 1 7 . 1 1 90 90 GLU H H 90 8.338 8.338 7.811 0.527 17628 3639 1 7 . 1 1 91 91 GLN N N 91 122.043 122.043 122.128 -0.085 17628 3640 1 7 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.753 -0.150 17628 3641 1 7 . 1 1 91 91 GLN C C 91 173.879 173.879 174.181 -0.302 17628 3642 1 7 . 1 1 91 91 GLN CA C 91 53.624 53.624 52.810 0.814 17628 3643 1 7 . 1 1 91 91 GLN CB C 91 29.090 29.090 28.680 0.410 17628 3644 1 7 . 1 1 91 91 GLN H H 91 8.317 8.317 8.615 -0.298 17628 3645 1 7 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.468 -0.051 17628 3646 1 7 . 1 1 92 92 PRO C C 92 177.488 177.488 177.352 0.136 17628 3647 1 7 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.666 0.717 17628 3648 1 7 . 1 1 92 92 PRO CB C 92 32.153 32.153 29.983 2.170 17628 3649 1 7 . 1 1 93 93 GLY N N 93 109.201 109.201 109.397 -0.196 17628 3650 1 7 . 1 1 93 93 GLY C C 93 174.619 174.619 174.888 -0.269 17628 3651 1 7 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.992 -0.649 17628 3652 1 7 . 1 1 93 93 GLY H H 93 8.480 8.480 8.608 -0.128 17628 3653 1 7 . 1 1 94 94 THR N N 94 112.828 112.828 114.024 -1.196 17628 3654 1 7 . 1 1 94 94 THR HA H 94 4.356 4.356 4.341 0.015 17628 3655 1 7 . 1 1 94 94 THR C C 94 174.510 174.510 174.212 0.298 17628 3656 1 7 . 1 1 94 94 THR CA C 94 61.816 61.816 62.275 -0.459 17628 3657 1 7 . 1 1 94 94 THR CB C 94 69.913 69.913 70.372 -0.459 17628 3658 1 7 . 1 1 94 94 THR H H 94 8.044 8.044 7.480 0.564 17628 3659 1 7 . 1 1 95 95 ASP N N 95 122.173 122.173 119.933 2.240 17628 3660 1 7 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.589 0.017 17628 3661 1 7 . 1 1 95 95 ASP C C 95 176.584 176.584 174.744 1.840 17628 3662 1 7 . 1 1 95 95 ASP CA C 95 54.631 54.631 54.814 -0.183 17628 3663 1 7 . 1 1 95 95 ASP CB C 95 41.067 41.067 42.184 -1.117 17628 3664 1 7 . 1 1 95 95 ASP H H 95 8.413 8.413 8.414 -0.001 17628 3665 1 7 . 1 1 96 96 GLY N N 96 109.220 109.220 108.425 0.795 17628 3666 1 7 . 1 1 96 96 GLY C C 96 173.454 173.454 172.652 0.802 17628 3667 1 7 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.419 0.246 17628 3668 1 7 . 1 1 96 96 GLY H H 96 8.290 8.290 7.854 0.436 17628 3669 1 8 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.465 -0.056 17628 3670 1 8 . 1 1 2 2 PRO C C 2 176.726 176.726 177.418 -0.692 17628 3671 1 8 . 1 1 2 2 PRO CA C 2 63.021 63.021 63.242 -0.221 17628 3672 1 8 . 1 1 2 2 PRO CB C 2 32.135 32.135 31.925 0.210 17628 3673 1 8 . 1 1 3 3 VAL N N 3 120.494 120.494 117.589 2.905 17628 3674 1 8 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.174 -0.180 17628 3675 1 8 . 1 1 3 3 VAL C C 3 175.979 175.979 175.322 0.657 17628 3676 1 8 . 1 1 3 3 VAL CA C 3 62.467 62.467 60.898 1.569 17628 3677 1 8 . 1 1 3 3 VAL CB C 3 32.545 32.545 32.669 -0.124 17628 3678 1 8 . 1 1 3 3 VAL H H 3 8.140 8.140 8.025 0.115 17628 3679 1 8 . 1 1 4 4 LYS N N 4 126.411 126.411 118.305 8.106 17628 3680 1 8 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.501 0.083 17628 3681 1 8 . 1 1 4 4 LYS C C 4 174.350 174.350 176.086 -1.736 17628 3682 1 8 . 1 1 4 4 LYS CA C 4 54.055 54.055 53.691 0.364 17628 3683 1 8 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.339 1.240 17628 3684 1 8 . 1 1 4 4 LYS H H 4 8.276 8.276 8.417 -0.141 17628 3685 1 8 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.480 -0.055 17628 3686 1 8 . 1 1 5 5 PRO C C 5 176.929 176.929 175.759 1.170 17628 3687 1 8 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.849 -0.654 17628 3688 1 8 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.753 0.335 17628 3689 1 8 . 1 1 6 6 SER N N 6 115.564 115.564 114.038 1.526 17628 3690 1 8 . 1 1 6 6 SER HA H 6 4.379 4.379 4.164 0.215 17628 3691 1 8 . 1 1 6 6 SER C C 6 174.458 174.458 173.817 0.641 17628 3692 1 8 . 1 1 6 6 SER CA C 6 58.418 58.418 58.155 0.263 17628 3693 1 8 . 1 1 6 6 SER CB C 6 63.981 63.981 63.730 0.251 17628 3694 1 8 . 1 1 6 6 SER H H 6 8.283 8.283 7.527 0.756 17628 3695 1 8 . 1 1 7 7 ARG N N 7 122.599 122.599 119.918 2.681 17628 3696 1 8 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.959 0.465 17628 3697 1 8 . 1 1 7 7 ARG C C 7 176.216 176.216 174.213 2.003 17628 3698 1 8 . 1 1 7 7 ARG CA C 7 56.083 56.083 56.774 -0.691 17628 3699 1 8 . 1 1 7 7 ARG CB C 7 31.142 31.142 28.686 2.456 17628 3700 1 8 . 1 1 7 7 ARG H H 7 8.321 8.321 7.674 0.647 17628 3701 1 8 . 1 1 8 8 GLY N N 8 110.092 110.092 111.000 -0.908 17628 3702 1 8 . 1 1 8 8 GLY C C 8 171.536 171.536 171.408 0.128 17628 3703 1 8 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.111 0.363 17628 3704 1 8 . 1 1 8 8 GLY H H 8 8.248 8.248 8.222 0.026 17628 3705 1 8 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.590 -0.165 17628 3706 1 8 . 1 1 9 9 PRO C C 9 176.675 176.675 176.238 0.437 17628 3707 1 8 . 1 1 9 9 PRO CA C 9 63.200 63.200 61.585 1.615 17628 3708 1 8 . 1 1 9 9 PRO CB C 9 32.242 32.242 32.966 -0.724 17628 3709 1 8 . 1 1 10 10 LEU N N 10 120.335 120.335 121.532 -1.197 17628 3710 1 8 . 1 1 10 10 LEU HA H 10 4.515 4.515 5.202 -0.687 17628 3711 1 8 . 1 1 10 10 LEU C C 10 176.413 176.413 176.085 0.328 17628 3712 1 8 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.255 0.145 17628 3713 1 8 . 1 1 10 10 LEU CB C 10 43.946 43.946 43.034 0.912 17628 3714 1 8 . 1 1 10 10 LEU H H 10 8.018 8.018 8.425 -0.407 17628 3715 1 8 . 1 1 11 11 VAL N N 11 120.543 120.543 124.071 -3.528 17628 3716 1 8 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.775 -0.320 17628 3717 1 8 . 1 1 11 11 VAL C C 11 174.141 174.141 175.992 -1.851 17628 3718 1 8 . 1 1 11 11 VAL CA C 11 60.268 60.268 60.873 -0.605 17628 3719 1 8 . 1 1 11 11 VAL CB C 11 35.006 35.006 34.783 0.223 17628 3720 1 8 . 1 1 11 11 VAL H H 11 9.111 9.111 8.612 0.499 17628 3721 1 8 . 1 1 12 12 THR N N 12 120.707 120.707 123.862 -3.155 17628 3722 1 8 . 1 1 12 12 THR HA H 12 4.883 4.883 5.471 -0.588 17628 3723 1 8 . 1 1 12 12 THR C C 12 173.103 173.103 174.019 -0.916 17628 3724 1 8 . 1 1 12 12 THR CA C 12 62.760 62.760 63.336 -0.576 17628 3725 1 8 . 1 1 12 12 THR CB C 12 69.037 69.037 70.118 -1.081 17628 3726 1 8 . 1 1 12 12 THR H H 12 8.886 8.886 9.045 -0.159 17628 3727 1 8 . 1 1 13 13 CYS N N 13 124.651 124.651 123.558 1.093 17628 3728 1 8 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.946 -0.064 17628 3729 1 8 . 1 1 13 13 CYS C C 13 174.463 174.463 174.075 0.388 17628 3730 1 8 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.139 -6.017 17628 3731 1 8 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.668 10.739 17628 3732 1 8 . 1 1 13 13 CYS H H 13 9.165 9.165 8.253 0.912 17628 3733 1 8 . 1 1 14 14 THR N N 14 121.496 121.496 117.683 3.813 17628 3734 1 8 . 1 1 14 14 THR HA H 14 4.001 4.001 4.176 -0.174 17628 3735 1 8 . 1 1 14 14 THR C C 14 172.453 172.453 174.329 -1.876 17628 3736 1 8 . 1 1 14 14 THR CA C 14 66.024 66.024 64.252 1.772 17628 3737 1 8 . 1 1 14 14 THR CB C 14 69.319 69.319 69.101 0.218 17628 3738 1 8 . 1 1 14 14 THR H H 14 8.931 8.931 8.523 0.408 17628 3739 1 8 . 1 1 15 15 CYS N N 15 129.296 129.296 126.216 3.080 17628 3740 1 8 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.606 -0.572 17628 3741 1 8 . 1 1 15 15 CYS C C 15 174.111 174.111 174.089 0.022 17628 3742 1 8 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.167 -0.160 17628 3743 1 8 . 1 1 15 15 CYS CB C 15 37.153 37.153 31.116 6.037 17628 3744 1 8 . 1 1 15 15 CYS H H 15 8.227 8.227 8.940 -0.713 17628 3745 1 8 . 1 1 16 16 GLU N N 16 127.625 127.625 119.361 8.264 17628 3746 1 8 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.406 0.107 17628 3747 1 8 . 1 1 16 16 GLU C C 16 173.185 173.185 174.580 -1.395 17628 3748 1 8 . 1 1 16 16 GLU CA C 16 56.082 56.082 56.851 -0.769 17628 3749 1 8 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.013 1.037 17628 3750 1 8 . 1 1 16 16 GLU H H 16 9.106 9.106 8.524 0.582 17628 3751 1 8 . 1 1 17 17 SER N N 17 123.384 123.384 115.713 7.671 17628 3752 1 8 . 1 1 17 17 SER HA H 17 4.503 4.503 4.045 0.458 17628 3753 1 8 . 1 1 17 17 SER C C 17 172.946 172.946 171.834 1.112 17628 3754 1 8 . 1 1 17 17 SER CA C 17 57.341 57.341 60.001 -2.660 17628 3755 1 8 . 1 1 17 17 SER CB C 17 63.379 63.379 61.882 1.497 17628 3756 1 8 . 1 1 17 17 SER H H 17 7.770 7.770 8.803 -1.033 17628 3757 1 8 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.410 -0.058 17628 3758 1 8 . 1 1 18 18 PRO C C 18 176.600 176.600 176.628 -0.028 17628 3759 1 8 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.452 0.975 17628 3760 1 8 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.075 -0.068 17628 3761 1 8 . 1 1 19 19 HIS N N 19 113.110 113.110 114.965 -1.855 17628 3762 1 8 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.784 -0.106 17628 3763 1 8 . 1 1 19 19 HIS C C 19 175.396 175.396 174.778 0.618 17628 3764 1 8 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.793 -0.764 17628 3765 1 8 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.108 -0.700 17628 3766 1 8 . 1 1 19 19 HIS H H 19 7.898 7.898 8.108 -0.210 17628 3767 1 8 . 1 1 20 20 CYS N N 20 119.283 119.283 115.829 3.454 17628 3768 1 8 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.733 -0.369 17628 3769 1 8 . 1 1 20 20 CYS C C 20 174.956 174.956 174.058 0.898 17628 3770 1 8 . 1 1 20 20 CYS CA C 20 57.764 57.764 56.664 1.100 17628 3771 1 8 . 1 1 20 20 CYS CB C 20 42.002 42.002 31.649 10.353 17628 3772 1 8 . 1 1 20 20 CYS H H 20 7.305 7.305 7.475 -0.170 17628 3773 1 8 . 1 1 21 21 LYS N N 21 124.199 124.199 121.826 2.373 17628 3774 1 8 . 1 1 21 21 LYS HA H 21 4.403 4.403 3.971 0.432 17628 3775 1 8 . 1 1 21 21 LYS C C 21 175.650 175.650 177.046 -1.396 17628 3776 1 8 . 1 1 21 21 LYS CA C 21 56.112 56.112 58.915 -2.803 17628 3777 1 8 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.243 -0.077 17628 3778 1 8 . 1 1 21 21 LYS H H 21 8.851 8.851 8.793 0.058 17628 3779 1 8 . 1 1 22 22 GLY N N 22 108.943 108.943 105.126 3.817 17628 3780 1 8 . 1 1 22 22 GLY C C 22 171.467 171.467 172.903 -1.436 17628 3781 1 8 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.303 -0.866 17628 3782 1 8 . 1 1 22 22 GLY H H 22 7.768 7.768 7.839 -0.071 17628 3783 1 8 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.435 0.379 17628 3784 1 8 . 1 1 23 23 PRO C C 23 177.578 177.578 175.724 1.854 17628 3785 1 8 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.710 -0.500 17628 3786 1 8 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.341 0.044 17628 3787 1 8 . 1 1 24 24 THR N N 24 108.931 108.931 106.697 2.234 17628 3788 1 8 . 1 1 24 24 THR HA H 24 5.358 5.358 4.967 0.391 17628 3789 1 8 . 1 1 24 24 THR C C 24 173.043 173.043 173.673 -0.630 17628 3790 1 8 . 1 1 24 24 THR CA C 24 59.041 59.041 59.913 -0.872 17628 3791 1 8 . 1 1 24 24 THR CB C 24 73.255 73.255 71.764 1.491 17628 3792 1 8 . 1 1 24 24 THR H H 24 7.599 7.599 7.893 -0.294 17628 3793 1 8 . 1 1 25 25 CYS N N 25 115.152 115.152 118.883 -3.731 17628 3794 1 8 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.811 0.055 17628 3795 1 8 . 1 1 25 25 CYS C C 25 171.952 171.952 172.953 -1.001 17628 3796 1 8 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.724 -4.237 17628 3797 1 8 . 1 1 25 25 CYS CB C 25 46.385 46.385 31.421 14.964 17628 3798 1 8 . 1 1 25 25 CYS H H 25 8.872 8.872 8.560 0.312 17628 3799 1 8 . 1 1 26 26 ARG N N 26 119.551 119.551 122.705 -3.154 17628 3800 1 8 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.520 1.057 17628 3801 1 8 . 1 1 26 26 ARG C C 26 176.621 176.621 175.996 0.625 17628 3802 1 8 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.419 -2.294 17628 3803 1 8 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.787 1.801 17628 3804 1 8 . 1 1 26 26 ARG H H 26 8.481 8.481 8.624 -0.143 17628 3805 1 8 . 1 1 27 27 GLY N N 27 111.192 111.192 111.967 -0.775 17628 3806 1 8 . 1 1 27 27 GLY C C 27 170.250 170.250 172.895 -2.645 17628 3807 1 8 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.812 -0.679 17628 3808 1 8 . 1 1 27 27 GLY H H 27 8.866 8.866 8.629 0.237 17628 3809 1 8 . 1 1 28 28 ALA N N 28 123.763 123.763 121.478 2.285 17628 3810 1 8 . 1 1 28 28 ALA HA H 28 4.413 4.413 5.127 -0.714 17628 3811 1 8 . 1 1 28 28 ALA C C 28 177.525 177.525 175.757 1.768 17628 3812 1 8 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.395 3.322 17628 3813 1 8 . 1 1 28 28 ALA CB C 28 19.214 19.214 20.579 -1.365 17628 3814 1 8 . 1 1 28 28 ALA H H 28 7.732 7.732 8.314 -0.582 17628 3815 1 8 . 1 1 29 29 TRP N N 29 112.576 112.576 114.415 -1.839 17628 3816 1 8 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.698 -0.058 17628 3817 1 8 . 1 1 29 29 TRP C C 29 172.901 172.901 173.528 -0.627 17628 3818 1 8 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.857 3.905 17628 3819 1 8 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.345 0.261 17628 3820 1 8 . 1 1 29 29 TRP H H 29 7.830 7.830 7.036 0.794 17628 3821 1 8 . 1 1 30 30 CYS N N 30 116.421 116.421 121.000 -4.579 17628 3822 1 8 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.654 0.240 17628 3823 1 8 . 1 1 30 30 CYS C C 30 176.719 176.719 174.988 1.731 17628 3824 1 8 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.438 -6.740 17628 3825 1 8 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.141 11.114 17628 3826 1 8 . 1 1 30 30 CYS H H 30 9.319 9.319 8.937 0.382 17628 3827 1 8 . 1 1 31 31 THR N N 31 110.073 110.073 117.867 -7.794 17628 3828 1 8 . 1 1 31 31 THR HA H 31 5.917 5.917 5.741 0.176 17628 3829 1 8 . 1 1 31 31 THR C C 31 177.249 177.249 174.439 2.810 17628 3830 1 8 . 1 1 31 31 THR CA C 31 59.845 59.845 60.163 -0.318 17628 3831 1 8 . 1 1 31 31 THR CB C 31 72.586 72.586 70.976 1.610 17628 3832 1 8 . 1 1 31 31 THR H H 31 8.936 8.936 9.521 -0.585 17628 3833 1 8 . 1 1 32 32 VAL N N 32 122.685 122.685 120.873 1.812 17628 3834 1 8 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.331 -0.569 17628 3835 1 8 . 1 1 32 32 VAL C C 32 173.813 173.813 174.425 -0.612 17628 3836 1 8 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.107 4.612 17628 3837 1 8 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.845 0.027 17628 3838 1 8 . 1 1 32 32 VAL H H 32 8.841 8.841 9.244 -0.403 17628 3839 1 8 . 1 1 33 33 VAL N N 33 124.915 124.915 117.151 7.764 17628 3840 1 8 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.925 -0.138 17628 3841 1 8 . 1 1 33 33 VAL C C 33 174.014 174.014 174.158 -0.144 17628 3842 1 8 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.411 0.051 17628 3843 1 8 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.286 1.402 17628 3844 1 8 . 1 1 33 33 VAL H H 33 9.047 9.047 8.984 0.063 17628 3845 1 8 . 1 1 34 34 LEU N N 34 127.771 127.771 128.656 -0.885 17628 3846 1 8 . 1 1 34 34 LEU HA H 34 4.889 4.889 5.271 -0.382 17628 3847 1 8 . 1 1 34 34 LEU C C 34 175.433 175.433 176.502 -1.069 17628 3848 1 8 . 1 1 34 34 LEU CA C 34 54.015 54.015 52.962 1.053 17628 3849 1 8 . 1 1 34 34 LEU CB C 34 44.427 44.427 43.728 0.699 17628 3850 1 8 . 1 1 34 34 LEU H H 34 8.450 8.450 8.209 0.241 17628 3851 1 8 . 1 1 35 35 VAL N N 35 125.904 125.904 128.451 -2.547 17628 3852 1 8 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.017 0.359 17628 3853 1 8 . 1 1 35 35 VAL C C 35 175.098 175.098 175.349 -0.251 17628 3854 1 8 . 1 1 35 35 VAL CA C 35 61.301 61.301 62.146 -0.845 17628 3855 1 8 . 1 1 35 35 VAL CB C 35 34.190 34.190 31.275 2.915 17628 3856 1 8 . 1 1 35 35 VAL H H 35 8.868 8.868 8.434 0.434 17628 3857 1 8 . 1 1 36 36 ARG N N 36 127.282 127.282 129.568 -2.286 17628 3858 1 8 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.271 0.245 17628 3859 1 8 . 1 1 36 36 ARG C C 36 175.068 175.068 175.050 0.018 17628 3860 1 8 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.139 0.385 17628 3861 1 8 . 1 1 36 36 ARG CB C 36 31.603 31.603 28.929 2.674 17628 3862 1 8 . 1 1 36 36 ARG H H 36 8.665 8.665 8.178 0.487 17628 3863 1 8 . 1 1 37 37 GLU N N 37 124.628 124.628 122.794 1.834 17628 3864 1 8 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.456 -0.058 17628 3865 1 8 . 1 1 37 37 GLU C C 37 175.762 175.762 175.463 0.299 17628 3866 1 8 . 1 1 37 37 GLU CA C 37 55.477 55.477 54.382 1.095 17628 3867 1 8 . 1 1 37 37 GLU CB C 37 31.724 31.724 31.296 0.428 17628 3868 1 8 . 1 1 37 37 GLU H H 37 8.458 8.458 8.159 0.299 17628 3869 1 8 . 1 1 38 38 GLU N N 38 123.236 123.236 126.127 -2.891 17628 3870 1 8 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.106 -0.078 17628 3871 1 8 . 1 1 38 38 GLU C C 38 177.354 177.354 176.931 0.423 17628 3872 1 8 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.807 1.117 17628 3873 1 8 . 1 1 38 38 GLU CB C 38 29.270 29.270 29.114 0.156 17628 3874 1 8 . 1 1 38 38 GLU H H 38 8.628 8.628 8.922 -0.294 17628 3875 1 8 . 1 1 39 39 GLY N N 39 111.764 111.764 113.980 -2.216 17628 3876 1 8 . 1 1 39 39 GLY C C 39 173.954 173.954 174.455 -0.501 17628 3877 1 8 . 1 1 39 39 GLY CA C 39 45.592 45.592 44.953 0.639 17628 3878 1 8 . 1 1 39 39 GLY H H 39 8.670 8.670 8.352 0.318 17628 3879 1 8 . 1 1 40 40 ARG N N 40 118.313 118.313 121.302 -2.989 17628 3880 1 8 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.359 0.230 17628 3881 1 8 . 1 1 40 40 ARG C C 40 175.874 175.874 175.549 0.325 17628 3882 1 8 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.855 -2.270 17628 3883 1 8 . 1 1 40 40 ARG CB C 40 32.502 32.502 32.196 0.306 17628 3884 1 8 . 1 1 40 40 ARG H H 40 7.905 7.905 7.891 0.014 17628 3885 1 8 . 1 1 41 41 HIS N N 41 120.013 120.013 116.398 3.615 17628 3886 1 8 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.878 -0.023 17628 3887 1 8 . 1 1 41 41 HIS C C 41 173.290 173.290 172.695 0.595 17628 3888 1 8 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.529 0.677 17628 3889 1 8 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.723 -2.534 17628 3890 1 8 . 1 1 41 41 HIS H H 41 8.512 8.512 8.080 0.432 17628 3891 1 8 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.715 -0.075 17628 3892 1 8 . 1 1 42 42 PRO C C 42 175.777 175.777 176.312 -0.535 17628 3893 1 8 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.971 0.548 17628 3894 1 8 . 1 1 42 42 PRO CB C 42 32.493 32.493 31.271 1.222 17628 3895 1 8 . 1 1 43 43 GLN N N 43 120.474 120.474 122.965 -2.491 17628 3896 1 8 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.475 0.122 17628 3897 1 8 . 1 1 43 43 GLN C C 43 173.963 173.963 174.689 -0.726 17628 3898 1 8 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.244 0.240 17628 3899 1 8 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.885 -0.322 17628 3900 1 8 . 1 1 43 43 GLN H H 43 8.524 8.524 7.848 0.676 17628 3901 1 8 . 1 1 44 44 GLU N N 44 122.323 122.323 125.185 -2.862 17628 3902 1 8 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.454 0.633 17628 3903 1 8 . 1 1 44 44 GLU C C 44 175.650 175.650 175.877 -0.227 17628 3904 1 8 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.078 -0.643 17628 3905 1 8 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.449 2.089 17628 3906 1 8 . 1 1 44 44 GLU H H 44 8.751 8.751 8.861 -0.110 17628 3907 1 8 . 1 1 45 45 HIS N N 45 122.818 122.818 124.674 -1.856 17628 3908 1 8 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.250 0.139 17628 3909 1 8 . 1 1 45 45 HIS C C 45 174.918 174.918 174.246 0.672 17628 3910 1 8 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.584 -1.425 17628 3911 1 8 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.530 1.859 17628 3912 1 8 . 1 1 45 45 HIS H H 45 9.202 9.202 8.812 0.390 17628 3913 1 8 . 1 1 46 46 ARG N N 46 122.260 122.260 121.339 0.921 17628 3914 1 8 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.327 -0.110 17628 3915 1 8 . 1 1 46 46 ARG C C 46 176.255 176.255 175.089 1.166 17628 3916 1 8 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.285 0.559 17628 3917 1 8 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.567 -2.174 17628 3918 1 8 . 1 1 46 46 ARG H H 46 8.847 8.847 7.997 0.850 17628 3919 1 8 . 1 1 47 47 GLY N N 47 114.135 114.135 107.954 6.181 17628 3920 1 8 . 1 1 47 47 GLY C C 47 171.175 171.175 171.939 -0.764 17628 3921 1 8 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.704 1.968 17628 3922 1 8 . 1 1 47 47 GLY H H 47 8.210 8.210 8.901 -0.691 17628 3923 1 8 . 1 1 48 48 CYS N N 48 118.698 118.698 120.560 -1.862 17628 3924 1 8 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.605 -0.413 17628 3925 1 8 . 1 1 48 48 CYS C C 48 173.522 173.522 176.284 -2.762 17628 3926 1 8 . 1 1 48 48 CYS CA C 48 58.600 58.600 55.694 2.906 17628 3927 1 8 . 1 1 48 48 CYS CB C 48 44.933 44.933 27.167 17.766 17628 3928 1 8 . 1 1 48 48 CYS H H 48 8.322 8.322 8.401 -0.079 17628 3929 1 8 . 1 1 49 49 GLY N N 49 112.213 112.213 110.651 1.562 17628 3930 1 8 . 1 1 49 49 GLY C C 49 170.413 170.413 173.859 -3.446 17628 3931 1 8 . 1 1 49 49 GLY CA C 49 43.104 43.104 44.297 -1.193 17628 3932 1 8 . 1 1 49 49 GLY H H 49 8.679 8.679 8.432 0.247 17628 3933 1 8 . 1 1 50 50 ASN N N 50 115.420 115.420 116.715 -1.295 17628 3934 1 8 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.265 -0.237 17628 3935 1 8 . 1 1 50 50 ASN C C 50 173.574 173.574 175.686 -2.112 17628 3936 1 8 . 1 1 50 50 ASN CA C 50 54.381 54.381 53.592 0.789 17628 3937 1 8 . 1 1 50 50 ASN CB C 50 42.721 42.721 38.515 4.206 17628 3938 1 8 . 1 1 50 50 ASN H H 50 8.103 8.103 8.002 0.101 17628 3939 1 8 . 1 1 51 51 LEU HA H 51 4.655 4.655 3.935 0.720 17628 3940 1 8 . 1 1 51 51 LEU C C 51 176.323 176.323 175.691 0.632 17628 3941 1 8 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.165 0.234 17628 3942 1 8 . 1 1 51 51 LEU CB C 51 45.606 45.606 40.161 5.444 17628 3943 1 8 . 1 1 52 52 HIS N N 52 115.835 115.835 118.341 -2.506 17628 3944 1 8 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.737 0.250 17628 3945 1 8 . 1 1 52 52 HIS C C 52 176.442 176.442 175.117 1.325 17628 3946 1 8 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.866 0.117 17628 3947 1 8 . 1 1 52 52 HIS CB C 52 26.270 26.270 32.529 -6.258 17628 3948 1 8 . 1 1 52 52 HIS H H 52 8.904 8.904 7.699 1.205 17628 3949 1 8 . 1 1 53 53 ARG N N 53 124.169 124.169 124.038 0.131 17628 3950 1 8 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.494 -1.174 17628 3951 1 8 . 1 1 53 53 ARG C C 53 177.862 177.862 177.877 -0.015 17628 3952 1 8 . 1 1 53 53 ARG CA C 53 57.358 57.358 58.858 -1.500 17628 3953 1 8 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.644 -0.990 17628 3954 1 8 . 1 1 53 53 ARG H H 53 8.876 8.876 8.856 0.020 17628 3955 1 8 . 1 1 54 54 GLU N N 54 118.465 118.465 119.393 -0.928 17628 3956 1 8 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.346 -0.313 17628 3957 1 8 . 1 1 54 54 GLU C C 54 177.704 177.704 178.164 -0.460 17628 3958 1 8 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.704 0.039 17628 3959 1 8 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.008 -1.064 17628 3960 1 8 . 1 1 54 54 GLU H H 54 9.759 9.759 8.748 1.011 17628 3961 1 8 . 1 1 55 55 LEU N N 55 120.238 120.238 119.144 1.094 17628 3962 1 8 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.466 -0.410 17628 3963 1 8 . 1 1 55 55 LEU C C 55 177.601 177.601 176.092 1.509 17628 3964 1 8 . 1 1 55 55 LEU CA C 55 55.882 55.882 54.887 0.995 17628 3965 1 8 . 1 1 55 55 LEU CB C 55 41.225 41.225 40.235 0.990 17628 3966 1 8 . 1 1 55 55 LEU H H 55 7.351 7.351 8.233 -0.882 17628 3967 1 8 . 1 1 56 56 CYS N N 56 115.234 115.234 115.104 0.130 17628 3968 1 8 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.131 0.130 17628 3969 1 8 . 1 1 56 56 CYS C C 56 175.060 175.060 172.254 2.806 17628 3970 1 8 . 1 1 56 56 CYS CA C 56 55.883 55.883 56.523 -0.639 17628 3971 1 8 . 1 1 56 56 CYS CB C 56 38.516 38.516 28.093 10.423 17628 3972 1 8 . 1 1 56 56 CYS H H 56 7.640 7.640 7.437 0.203 17628 3973 1 8 . 1 1 57 57 ARG N N 57 119.272 119.272 117.123 2.149 17628 3974 1 8 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.297 0.187 17628 3975 1 8 . 1 1 57 57 ARG C C 57 176.114 176.114 174.073 2.041 17628 3976 1 8 . 1 1 57 57 ARG CA C 57 55.323 55.323 56.331 -1.008 17628 3977 1 8 . 1 1 57 57 ARG CB C 57 31.650 31.650 30.392 1.258 17628 3978 1 8 . 1 1 57 57 ARG H H 57 7.626 7.626 7.270 0.356 17628 3979 1 8 . 1 1 58 58 GLY N N 58 108.813 108.813 109.326 -0.513 17628 3980 1 8 . 1 1 58 58 GLY C C 58 173.663 173.663 174.089 -0.426 17628 3981 1 8 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.693 -0.336 17628 3982 1 8 . 1 1 58 58 GLY H H 58 8.139 8.139 8.635 -0.496 17628 3983 1 8 . 1 1 59 59 ARG N N 59 121.042 121.042 121.060 -0.018 17628 3984 1 8 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.854 -0.098 17628 3985 1 8 . 1 1 59 59 ARG C C 59 174.784 174.784 174.938 -0.154 17628 3986 1 8 . 1 1 59 59 ARG CA C 59 53.834 53.834 51.944 1.890 17628 3987 1 8 . 1 1 59 59 ARG CB C 59 30.716 30.716 29.585 1.131 17628 3988 1 8 . 1 1 59 59 ARG H H 59 8.216 8.216 8.092 0.124 17628 3989 1 8 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.469 0.005 17628 3990 1 8 . 1 1 60 60 PRO C C 60 176.726 176.726 176.422 0.304 17628 3991 1 8 . 1 1 60 60 PRO CA C 60 63.849 63.849 62.696 1.153 17628 3992 1 8 . 1 1 60 60 PRO CB C 60 31.909 31.909 30.125 1.784 17628 3993 1 8 . 1 1 61 61 THR N N 61 110.945 110.945 114.058 -3.113 17628 3994 1 8 . 1 1 61 61 THR HA H 61 4.426 4.426 3.879 0.547 17628 3995 1 8 . 1 1 61 61 THR C C 61 174.238 174.238 175.522 -1.284 17628 3996 1 8 . 1 1 61 61 THR CA C 61 61.219 61.219 62.950 -1.731 17628 3997 1 8 . 1 1 61 61 THR CB C 61 70.449 70.449 67.887 2.562 17628 3998 1 8 . 1 1 61 61 THR H H 61 7.940 7.940 8.076 -0.136 17628 3999 1 8 . 1 1 62 62 GLU N N 62 119.936 119.936 119.738 0.198 17628 4000 1 8 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.062 0.108 17628 4001 1 8 . 1 1 62 62 GLU C C 62 175.889 175.889 176.499 -0.610 17628 4002 1 8 . 1 1 62 62 GLU CA C 62 57.090 57.090 58.869 -1.779 17628 4003 1 8 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.186 0.923 17628 4004 1 8 . 1 1 62 62 GLU H H 62 8.342 8.342 8.883 -0.541 17628 4005 1 8 . 1 1 63 63 PHE N N 63 117.934 117.934 111.268 6.666 17628 4006 1 8 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.740 -0.141 17628 4007 1 8 . 1 1 63 63 PHE C C 63 175.367 175.367 173.342 2.025 17628 4008 1 8 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.261 0.889 17628 4009 1 8 . 1 1 63 63 PHE CB C 63 39.511 39.511 41.250 -1.739 17628 4010 1 8 . 1 1 63 63 PHE H H 63 8.137 8.137 7.710 0.427 17628 4011 1 8 . 1 1 64 64 VAL N N 64 120.294 120.294 120.714 -0.420 17628 4012 1 8 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.445 -0.062 17628 4013 1 8 . 1 1 64 64 VAL C C 64 174.649 174.649 173.549 1.100 17628 4014 1 8 . 1 1 64 64 VAL CA C 64 62.287 62.287 60.169 2.118 17628 4015 1 8 . 1 1 64 64 VAL CB C 64 33.405 33.405 35.730 -2.325 17628 4016 1 8 . 1 1 64 64 VAL H H 64 7.792 7.792 7.016 0.776 17628 4017 1 8 . 1 1 65 65 ASN N N 65 121.166 121.166 123.110 -1.944 17628 4018 1 8 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.909 -0.012 17628 4019 1 8 . 1 1 65 65 ASN C C 65 173.716 173.716 173.208 0.508 17628 4020 1 8 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.512 1.396 17628 4021 1 8 . 1 1 65 65 ASN CB C 65 40.357 40.357 39.001 1.356 17628 4022 1 8 . 1 1 65 65 ASN H H 65 8.455 8.455 8.411 0.044 17628 4023 1 8 . 1 1 66 66 HIS N N 66 121.303 121.303 124.374 -3.071 17628 4024 1 8 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.572 -0.521 17628 4025 1 8 . 1 1 66 66 HIS C C 66 172.730 172.730 174.376 -1.646 17628 4026 1 8 . 1 1 66 66 HIS CA C 66 55.764 55.764 55.056 0.709 17628 4027 1 8 . 1 1 66 66 HIS CB C 66 31.856 31.856 29.185 2.671 17628 4028 1 8 . 1 1 66 66 HIS H H 66 8.128 8.128 8.201 -0.073 17628 4029 1 8 . 1 1 67 67 TYR N N 67 125.626 125.626 129.132 -3.506 17628 4030 1 8 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.699 0.238 17628 4031 1 8 . 1 1 67 67 TYR C C 67 174.178 174.178 173.837 0.341 17628 4032 1 8 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.513 -0.332 17628 4033 1 8 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.196 0.951 17628 4034 1 8 . 1 1 67 67 TYR H H 67 9.065 9.065 8.820 0.245 17628 4035 1 8 . 1 1 68 68 CYS N N 68 123.801 123.801 121.332 2.469 17628 4036 1 8 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.593 0.206 17628 4037 1 8 . 1 1 68 68 CYS C C 68 171.347 171.347 173.255 -1.908 17628 4038 1 8 . 1 1 68 68 CYS CA C 68 51.895 51.895 54.549 -2.654 17628 4039 1 8 . 1 1 68 68 CYS CB C 68 45.198 45.198 29.482 15.716 17628 4040 1 8 . 1 1 68 68 CYS H H 68 7.902 7.902 7.578 0.324 17628 4041 1 8 . 1 1 69 69 CYS N N 69 115.715 115.715 118.133 -2.418 17628 4042 1 8 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.583 0.199 17628 4043 1 8 . 1 1 69 69 CYS C C 69 173.552 173.552 173.271 0.281 17628 4044 1 8 . 1 1 69 69 CYS CA C 69 54.996 54.996 57.944 -2.948 17628 4045 1 8 . 1 1 69 69 CYS CB C 69 44.900 44.900 31.214 13.686 17628 4046 1 8 . 1 1 69 69 CYS H H 69 8.843 8.843 8.684 0.159 17628 4047 1 8 . 1 1 70 70 ASP N N 70 120.487 120.487 123.518 -3.031 17628 4048 1 8 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.882 0.282 17628 4049 1 8 . 1 1 70 70 ASP C C 70 174.507 174.507 175.159 -0.652 17628 4050 1 8 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.538 0.289 17628 4051 1 8 . 1 1 70 70 ASP CB C 70 42.481 42.481 40.482 1.999 17628 4052 1 8 . 1 1 70 70 ASP H H 70 8.531 8.531 8.595 -0.064 17628 4053 1 8 . 1 1 71 71 SER N N 71 113.179 113.179 115.617 -2.438 17628 4054 1 8 . 1 1 71 71 SER HA H 71 4.896 4.896 4.622 0.274 17628 4055 1 8 . 1 1 71 71 SER C C 71 173.387 173.387 172.776 0.611 17628 4056 1 8 . 1 1 71 71 SER CA C 71 57.709 57.709 57.058 0.651 17628 4057 1 8 . 1 1 71 71 SER CB C 71 66.587 66.587 66.477 0.110 17628 4058 1 8 . 1 1 71 71 SER H H 71 7.641 7.641 7.517 0.124 17628 4059 1 8 . 1 1 72 72 HIS N N 72 119.348 119.348 121.392 -2.044 17628 4060 1 8 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.485 0.053 17628 4061 1 8 . 1 1 72 72 HIS C C 72 176.173 176.173 176.140 0.033 17628 4062 1 8 . 1 1 72 72 HIS CA C 72 58.734 58.734 57.197 1.537 17628 4063 1 8 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.983 1.793 17628 4064 1 8 . 1 1 72 72 HIS H H 72 8.308 8.308 8.302 0.006 17628 4065 1 8 . 1 1 73 73 LEU N N 73 123.124 123.124 121.550 1.574 17628 4066 1 8 . 1 1 73 73 LEU HA H 73 3.768 3.768 4.035 -0.267 17628 4067 1 8 . 1 1 73 73 LEU C C 73 178.572 178.572 175.805 2.767 17628 4068 1 8 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.596 1.006 17628 4069 1 8 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.230 0.772 17628 4070 1 8 . 1 1 73 73 LEU H H 73 9.769 9.769 8.728 1.041 17628 4071 1 8 . 1 1 74 74 CYS N N 74 116.789 116.789 118.961 -2.172 17628 4072 1 8 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.757 -0.335 17628 4073 1 8 . 1 1 74 74 CYS C C 74 174.644 174.644 176.060 -1.416 17628 4074 1 8 . 1 1 74 74 CYS CA C 74 58.560 58.560 58.444 0.116 17628 4075 1 8 . 1 1 74 74 CYS CB C 74 44.268 44.268 29.456 14.812 17628 4076 1 8 . 1 1 74 74 CYS H H 74 8.488 8.488 8.202 0.286 17628 4077 1 8 . 1 1 75 75 ASN N N 75 118.193 118.193 119.777 -1.584 17628 4078 1 8 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.631 -0.213 17628 4079 1 8 . 1 1 75 75 ASN C C 75 175.216 175.216 175.752 -0.536 17628 4080 1 8 . 1 1 75 75 ASN CA C 75 52.578 52.578 54.994 -2.416 17628 4081 1 8 . 1 1 75 75 ASN CB C 75 37.613 37.613 38.602 -0.989 17628 4082 1 8 . 1 1 75 75 ASN H H 75 8.432 8.432 8.305 0.127 17628 4083 1 8 . 1 1 76 76 HIS N N 76 120.329 120.329 118.013 2.316 17628 4084 1 8 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.440 -0.273 17628 4085 1 8 . 1 1 76 76 HIS C C 76 174.631 174.631 174.698 -0.067 17628 4086 1 8 . 1 1 76 76 HIS CA C 76 59.328 59.328 58.048 1.280 17628 4087 1 8 . 1 1 76 76 HIS CB C 76 29.708 29.708 30.041 -0.333 17628 4088 1 8 . 1 1 76 76 HIS H H 76 7.768 7.768 8.494 -0.726 17628 4089 1 8 . 1 1 77 77 ASN N N 77 115.167 115.167 114.692 0.475 17628 4090 1 8 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.786 -0.228 17628 4091 1 8 . 1 1 77 77 ASN C C 77 174.522 174.522 173.932 0.590 17628 4092 1 8 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.048 0.816 17628 4093 1 8 . 1 1 77 77 ASN CB C 77 38.719 38.719 39.297 -0.578 17628 4094 1 8 . 1 1 77 77 ASN H H 77 8.457 8.457 7.716 0.741 17628 4095 1 8 . 1 1 78 78 VAL N N 78 119.202 119.202 121.311 -2.109 17628 4096 1 8 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.413 -0.570 17628 4097 1 8 . 1 1 78 78 VAL C C 78 174.709 174.709 174.298 0.411 17628 4098 1 8 . 1 1 78 78 VAL CA C 78 62.643 62.643 60.117 2.526 17628 4099 1 8 . 1 1 78 78 VAL CB C 78 33.309 33.309 34.530 -1.221 17628 4100 1 8 . 1 1 78 78 VAL H H 78 6.691 6.691 7.332 -0.641 17628 4101 1 8 . 1 1 79 79 SER HA H 79 4.846 4.846 4.533 0.313 17628 4102 1 8 . 1 1 79 79 SER C C 79 174.082 174.082 173.792 0.290 17628 4103 1 8 . 1 1 79 79 SER CA C 79 56.222 56.222 58.384 -2.162 17628 4104 1 8 . 1 1 79 79 SER CB C 79 64.855 64.855 62.586 2.269 17628 4105 1 8 . 1 1 80 80 LEU N N 80 126.815 126.815 125.436 1.379 17628 4106 1 8 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.468 -0.108 17628 4107 1 8 . 1 1 80 80 LEU C C 80 176.897 176.897 178.630 -1.733 17628 4108 1 8 . 1 1 80 80 LEU CA C 80 54.300 54.300 55.434 -1.134 17628 4109 1 8 . 1 1 80 80 LEU CB C 80 42.671 42.671 43.559 -0.888 17628 4110 1 8 . 1 1 80 80 LEU H H 80 9.623 9.623 8.661 0.962 17628 4111 1 8 . 1 1 81 81 VAL N N 81 117.921 117.921 116.350 1.571 17628 4112 1 8 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.595 0.349 17628 4113 1 8 . 1 1 81 81 VAL C C 81 175.889 175.889 176.220 -0.331 17628 4114 1 8 . 1 1 81 81 VAL CA C 81 62.536 62.536 63.885 -1.349 17628 4115 1 8 . 1 1 81 81 VAL CB C 81 32.869 32.869 30.681 2.188 17628 4116 1 8 . 1 1 81 81 VAL H H 81 7.824 7.824 7.667 0.157 17628 4117 1 8 . 1 1 82 82 LEU N N 82 124.533 124.533 112.465 12.068 17628 4118 1 8 . 1 1 82 82 LEU HA H 82 4.291 4.291 3.891 0.400 17628 4119 1 8 . 1 1 82 82 LEU C C 82 177.197 177.197 175.129 2.068 17628 4120 1 8 . 1 1 82 82 LEU CA C 82 55.131 55.131 55.485 -0.354 17628 4121 1 8 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.523 1.768 17628 4122 1 8 . 1 1 82 82 LEU H H 82 8.059 8.059 8.073 -0.014 17628 4123 1 8 . 1 1 83 83 GLU N N 83 120.926 120.926 118.552 2.374 17628 4124 1 8 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.539 -0.357 17628 4125 1 8 . 1 1 83 83 GLU C C 83 175.897 175.897 174.915 0.982 17628 4126 1 8 . 1 1 83 83 GLU CA C 83 56.515 56.515 55.021 1.494 17628 4127 1 8 . 1 1 83 83 GLU CB C 83 30.167 30.167 32.956 -2.789 17628 4128 1 8 . 1 1 83 83 GLU H H 83 8.047 8.047 7.827 0.220 17628 4129 1 8 . 1 1 84 84 ALA N N 84 124.350 124.350 122.956 1.394 17628 4130 1 8 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.846 -0.542 17628 4131 1 8 . 1 1 84 84 ALA C C 84 177.704 177.704 176.263 1.441 17628 4132 1 8 . 1 1 84 84 ALA CA C 84 52.535 52.535 51.053 1.482 17628 4133 1 8 . 1 1 84 84 ALA CB C 84 19.334 19.334 19.221 0.113 17628 4134 1 8 . 1 1 84 84 ALA H H 84 8.162 8.162 8.281 -0.119 17628 4135 1 8 . 1 1 85 85 THR N N 85 112.934 112.934 119.238 -6.304 17628 4136 1 8 . 1 1 85 85 THR HA H 85 4.264 4.264 4.439 -0.175 17628 4137 1 8 . 1 1 85 85 THR C C 85 174.231 174.231 172.910 1.321 17628 4138 1 8 . 1 1 85 85 THR CA C 85 61.831 61.831 61.465 0.366 17628 4139 1 8 . 1 1 85 85 THR CB C 85 69.955 69.955 71.885 -1.930 17628 4140 1 8 . 1 1 85 85 THR H H 85 7.981 7.981 8.611 -0.630 17628 4141 1 8 . 1 1 86 86 GLN N N 86 123.516 123.516 124.019 -0.503 17628 4142 1 8 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.313 0.297 17628 4143 1 8 . 1 1 86 86 GLN C C 86 173.352 173.352 174.489 -1.137 17628 4144 1 8 . 1 1 86 86 GLN CA C 86 53.606 53.606 54.541 -0.935 17628 4145 1 8 . 1 1 86 86 GLN CB C 86 29.094 29.094 28.484 0.610 17628 4146 1 8 . 1 1 86 86 GLN H H 86 8.217 8.217 8.324 -0.107 17628 4147 1 8 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.509 -0.096 17628 4148 1 8 . 1 1 88 88 PRO C C 88 176.930 176.930 176.323 0.607 17628 4149 1 8 . 1 1 88 88 PRO CA C 88 63.105 63.105 62.273 0.832 17628 4150 1 8 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.320 -0.160 17628 4151 1 8 . 1 1 89 89 SER N N 89 116.298 116.298 113.685 2.613 17628 4152 1 8 . 1 1 89 89 SER HA H 89 4.419 4.419 4.200 0.219 17628 4153 1 8 . 1 1 89 89 SER C C 89 174.469 174.469 174.197 0.272 17628 4154 1 8 . 1 1 89 89 SER CA C 89 58.378 58.378 59.479 -1.101 17628 4155 1 8 . 1 1 89 89 SER CB C 89 63.995 63.995 62.257 1.738 17628 4156 1 8 . 1 1 89 89 SER H H 89 8.358 8.358 8.516 -0.158 17628 4157 1 8 . 1 1 90 90 GLU N N 90 122.340 122.340 113.894 8.446 17628 4158 1 8 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.287 0.360 17628 4159 1 8 . 1 1 90 90 GLU C C 90 175.971 175.971 174.501 1.470 17628 4160 1 8 . 1 1 90 90 GLU CA C 90 56.350 56.350 56.875 -0.525 17628 4161 1 8 . 1 1 90 90 GLU CB C 90 30.349 30.349 30.033 0.316 17628 4162 1 8 . 1 1 90 90 GLU H H 90 8.338 8.338 8.610 -0.272 17628 4163 1 8 . 1 1 91 91 GLN N N 91 122.043 122.043 119.383 2.660 17628 4164 1 8 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.715 -0.112 17628 4165 1 8 . 1 1 91 91 GLN C C 91 173.879 173.879 172.943 0.936 17628 4166 1 8 . 1 1 91 91 GLN CA C 91 53.624 53.624 52.636 0.988 17628 4167 1 8 . 1 1 91 91 GLN CB C 91 29.090 29.090 31.146 -2.057 17628 4168 1 8 . 1 1 91 91 GLN H H 91 8.317 8.317 8.021 0.296 17628 4169 1 8 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.462 -0.045 17628 4170 1 8 . 1 1 92 92 PRO C C 92 177.488 177.488 176.438 1.050 17628 4171 1 8 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.131 1.252 17628 4172 1 8 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.641 -0.487 17628 4173 1 8 . 1 1 93 93 GLY N N 93 109.201 109.201 107.113 2.088 17628 4174 1 8 . 1 1 93 93 GLY C C 93 174.619 174.619 173.745 0.874 17628 4175 1 8 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.567 0.776 17628 4176 1 8 . 1 1 93 93 GLY H H 93 8.480 8.480 8.498 -0.018 17628 4177 1 8 . 1 1 94 94 THR N N 94 112.828 112.828 114.564 -1.736 17628 4178 1 8 . 1 1 94 94 THR HA H 94 4.356 4.356 4.577 -0.221 17628 4179 1 8 . 1 1 94 94 THR C C 94 174.510 174.510 174.473 0.037 17628 4180 1 8 . 1 1 94 94 THR CA C 94 61.816 61.816 61.215 0.601 17628 4181 1 8 . 1 1 94 94 THR CB C 94 69.913 69.913 69.865 0.048 17628 4182 1 8 . 1 1 94 94 THR H H 94 8.044 8.044 7.657 0.387 17628 4183 1 8 . 1 1 95 95 ASP N N 95 122.173 122.173 126.791 -4.618 17628 4184 1 8 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.207 0.399 17628 4185 1 8 . 1 1 95 95 ASP C C 95 176.584 176.584 176.465 0.119 17628 4186 1 8 . 1 1 95 95 ASP CA C 95 54.631 54.631 56.276 -1.645 17628 4187 1 8 . 1 1 95 95 ASP CB C 95 41.067 41.067 40.173 0.894 17628 4188 1 8 . 1 1 95 95 ASP H H 95 8.413 8.413 8.889 -0.476 17628 4189 1 8 . 1 1 96 96 GLY N N 96 109.220 109.220 109.080 0.140 17628 4190 1 8 . 1 1 96 96 GLY C C 96 173.454 173.454 172.870 0.584 17628 4191 1 8 . 1 1 96 96 GLY CA C 96 45.665 45.665 44.565 1.100 17628 4192 1 8 . 1 1 96 96 GLY H H 96 8.290 8.290 8.247 0.043 17628 4193 1 9 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.644 -0.235 17628 4194 1 9 . 1 1 2 2 PRO C C 2 176.726 176.726 177.114 -0.388 17628 4195 1 9 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.400 0.621 17628 4196 1 9 . 1 1 2 2 PRO CB C 2 32.135 32.135 32.359 -0.224 17628 4197 1 9 . 1 1 3 3 VAL N N 3 120.494 120.494 117.982 2.512 17628 4198 1 9 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.076 -0.082 17628 4199 1 9 . 1 1 3 3 VAL C C 3 175.979 175.979 175.171 0.808 17628 4200 1 9 . 1 1 3 3 VAL CA C 3 62.467 62.467 61.877 0.590 17628 4201 1 9 . 1 1 3 3 VAL CB C 3 32.545 32.545 30.524 2.021 17628 4202 1 9 . 1 1 3 3 VAL H H 3 8.140 8.140 8.224 -0.084 17628 4203 1 9 . 1 1 4 4 LYS N N 4 126.411 126.411 122.701 3.710 17628 4204 1 9 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.047 0.537 17628 4205 1 9 . 1 1 4 4 LYS C C 4 174.350 174.350 174.769 -0.419 17628 4206 1 9 . 1 1 4 4 LYS CA C 4 54.055 54.055 56.825 -2.770 17628 4207 1 9 . 1 1 4 4 LYS CB C 4 32.579 32.579 32.344 0.235 17628 4208 1 9 . 1 1 4 4 LYS H H 4 8.276 8.276 8.223 0.053 17628 4209 1 9 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.535 -0.110 17628 4210 1 9 . 1 1 5 5 PRO C C 5 176.929 176.929 175.208 1.721 17628 4211 1 9 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.612 -0.417 17628 4212 1 9 . 1 1 5 5 PRO CB C 5 32.088 32.088 30.935 1.153 17628 4213 1 9 . 1 1 6 6 SER N N 6 115.564 115.564 113.470 2.094 17628 4214 1 9 . 1 1 6 6 SER HA H 6 4.379 4.379 4.209 0.170 17628 4215 1 9 . 1 1 6 6 SER C C 6 174.458 174.458 173.950 0.508 17628 4216 1 9 . 1 1 6 6 SER CA C 6 58.418 58.418 58.709 -0.291 17628 4217 1 9 . 1 1 6 6 SER CB C 6 63.981 63.981 64.885 -0.904 17628 4218 1 9 . 1 1 6 6 SER H H 6 8.283 8.283 7.942 0.341 17628 4219 1 9 . 1 1 7 7 ARG N N 7 122.599 122.599 125.570 -2.971 17628 4220 1 9 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.916 0.508 17628 4221 1 9 . 1 1 7 7 ARG C C 7 176.216 176.216 176.394 -0.178 17628 4222 1 9 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.207 -1.124 17628 4223 1 9 . 1 1 7 7 ARG CB C 7 31.142 31.142 28.886 2.256 17628 4224 1 9 . 1 1 7 7 ARG H H 7 8.321 8.321 8.206 0.115 17628 4225 1 9 . 1 1 8 8 GLY N N 8 110.092 110.092 114.023 -3.931 17628 4226 1 9 . 1 1 8 8 GLY C C 8 171.536 171.536 172.213 -0.677 17628 4227 1 9 . 1 1 8 8 GLY CA C 8 44.474 44.474 45.535 -1.061 17628 4228 1 9 . 1 1 8 8 GLY H H 8 8.248 8.248 8.434 -0.186 17628 4229 1 9 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.535 -0.110 17628 4230 1 9 . 1 1 9 9 PRO C C 9 176.675 176.675 175.773 0.902 17628 4231 1 9 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.613 0.587 17628 4232 1 9 . 1 1 9 9 PRO CB C 9 32.242 32.242 30.814 1.429 17628 4233 1 9 . 1 1 10 10 LEU N N 10 120.335 120.335 127.015 -6.680 17628 4234 1 9 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.413 0.102 17628 4235 1 9 . 1 1 10 10 LEU C C 10 176.413 176.413 176.633 -0.220 17628 4236 1 9 . 1 1 10 10 LEU CA C 10 54.400 54.400 55.010 -0.610 17628 4237 1 9 . 1 1 10 10 LEU CB C 10 43.946 43.946 41.370 2.576 17628 4238 1 9 . 1 1 10 10 LEU H H 10 8.018 8.018 7.910 0.108 17628 4239 1 9 . 1 1 11 11 VAL N N 11 120.543 120.543 125.483 -4.940 17628 4240 1 9 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.513 -0.058 17628 4241 1 9 . 1 1 11 11 VAL C C 11 174.141 174.141 176.168 -2.027 17628 4242 1 9 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.098 -0.830 17628 4243 1 9 . 1 1 11 11 VAL CB C 11 35.006 35.006 33.211 1.795 17628 4244 1 9 . 1 1 11 11 VAL H H 11 9.111 9.111 7.719 1.392 17628 4245 1 9 . 1 1 12 12 THR N N 12 120.707 120.707 124.342 -3.635 17628 4246 1 9 . 1 1 12 12 THR HA H 12 4.883 4.883 4.943 -0.060 17628 4247 1 9 . 1 1 12 12 THR C C 12 173.103 173.103 174.009 -0.906 17628 4248 1 9 . 1 1 12 12 THR CA C 12 62.760 62.760 63.884 -1.124 17628 4249 1 9 . 1 1 12 12 THR CB C 12 69.037 69.037 69.531 -0.494 17628 4250 1 9 . 1 1 12 12 THR H H 12 8.886 8.886 8.825 0.061 17628 4251 1 9 . 1 1 13 13 CYS N N 13 124.651 124.651 124.521 0.130 17628 4252 1 9 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.953 -0.071 17628 4253 1 9 . 1 1 13 13 CYS C C 13 174.463 174.463 174.631 -0.168 17628 4254 1 9 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.100 -5.978 17628 4255 1 9 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.287 11.120 17628 4256 1 9 . 1 1 13 13 CYS H H 13 9.165 9.165 9.309 -0.144 17628 4257 1 9 . 1 1 14 14 THR N N 14 121.496 121.496 118.176 3.320 17628 4258 1 9 . 1 1 14 14 THR HA H 14 4.001 4.001 4.161 -0.160 17628 4259 1 9 . 1 1 14 14 THR C C 14 172.453 172.453 173.961 -1.508 17628 4260 1 9 . 1 1 14 14 THR CA C 14 66.024 66.024 65.243 0.781 17628 4261 1 9 . 1 1 14 14 THR CB C 14 69.319 69.319 69.206 0.113 17628 4262 1 9 . 1 1 14 14 THR H H 14 8.931 8.931 8.484 0.447 17628 4263 1 9 . 1 1 15 15 CYS N N 15 129.296 129.296 126.791 2.505 17628 4264 1 9 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.716 -0.682 17628 4265 1 9 . 1 1 15 15 CYS C C 15 174.111 174.111 173.090 1.021 17628 4266 1 9 . 1 1 15 15 CYS CA C 15 57.007 57.007 55.807 1.200 17628 4267 1 9 . 1 1 15 15 CYS CB C 15 37.153 37.153 30.693 6.460 17628 4268 1 9 . 1 1 15 15 CYS H H 15 8.227 8.227 8.763 -0.536 17628 4269 1 9 . 1 1 16 16 GLU N N 16 127.625 127.625 126.773 0.852 17628 4270 1 9 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.697 -0.184 17628 4271 1 9 . 1 1 16 16 GLU C C 16 173.185 173.185 175.670 -2.485 17628 4272 1 9 . 1 1 16 16 GLU CA C 16 56.082 56.082 55.794 0.288 17628 4273 1 9 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.374 0.676 17628 4274 1 9 . 1 1 16 16 GLU H H 16 9.106 9.106 8.589 0.517 17628 4275 1 9 . 1 1 17 17 SER N N 17 123.384 123.384 118.440 4.944 17628 4276 1 9 . 1 1 17 17 SER HA H 17 4.503 4.503 4.120 0.383 17628 4277 1 9 . 1 1 17 17 SER C C 17 172.946 172.946 172.277 0.669 17628 4278 1 9 . 1 1 17 17 SER CA C 17 57.341 57.341 59.583 -2.242 17628 4279 1 9 . 1 1 17 17 SER CB C 17 63.379 63.379 62.173 1.206 17628 4280 1 9 . 1 1 17 17 SER H H 17 7.770 7.770 8.893 -1.123 17628 4281 1 9 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.270 0.082 17628 4282 1 9 . 1 1 18 18 PRO C C 18 176.600 176.600 176.102 0.498 17628 4283 1 9 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.491 0.936 17628 4284 1 9 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.417 -0.410 17628 4285 1 9 . 1 1 19 19 HIS N N 19 113.110 113.110 114.282 -1.172 17628 4286 1 9 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.730 -0.052 17628 4287 1 9 . 1 1 19 19 HIS C C 19 175.396 175.396 174.657 0.739 17628 4288 1 9 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.228 -0.200 17628 4289 1 9 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.799 -1.391 17628 4290 1 9 . 1 1 19 19 HIS H H 19 7.898 7.898 8.059 -0.161 17628 4291 1 9 . 1 1 20 20 CYS N N 20 119.283 119.283 117.708 1.575 17628 4292 1 9 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.701 -0.337 17628 4293 1 9 . 1 1 20 20 CYS C C 20 174.956 174.956 173.555 1.401 17628 4294 1 9 . 1 1 20 20 CYS CA C 20 57.764 57.764 56.855 0.909 17628 4295 1 9 . 1 1 20 20 CYS CB C 20 42.002 42.002 30.805 11.197 17628 4296 1 9 . 1 1 20 20 CYS H H 20 7.305 7.305 7.632 -0.327 17628 4297 1 9 . 1 1 21 21 LYS N N 21 124.199 124.199 120.807 3.392 17628 4298 1 9 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.180 0.223 17628 4299 1 9 . 1 1 21 21 LYS C C 21 175.650 175.650 176.854 -1.204 17628 4300 1 9 . 1 1 21 21 LYS CA C 21 56.112 56.112 57.317 -1.205 17628 4301 1 9 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.020 0.146 17628 4302 1 9 . 1 1 21 21 LYS H H 21 8.851 8.851 8.772 0.079 17628 4303 1 9 . 1 1 22 22 GLY N N 22 108.943 108.943 105.805 3.138 17628 4304 1 9 . 1 1 22 22 GLY C C 22 171.467 171.467 172.574 -1.107 17628 4305 1 9 . 1 1 22 22 GLY CA C 22 44.437 44.437 46.120 -1.683 17628 4306 1 9 . 1 1 22 22 GLY H H 22 7.768 7.768 8.156 -0.388 17628 4307 1 9 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.528 0.286 17628 4308 1 9 . 1 1 23 23 PRO C C 23 177.578 177.578 175.484 2.094 17628 4309 1 9 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.760 -0.550 17628 4310 1 9 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.153 0.232 17628 4311 1 9 . 1 1 24 24 THR N N 24 108.931 108.931 108.310 0.621 17628 4312 1 9 . 1 1 24 24 THR HA H 24 5.358 5.358 4.971 0.387 17628 4313 1 9 . 1 1 24 24 THR C C 24 173.043 173.043 173.857 -0.814 17628 4314 1 9 . 1 1 24 24 THR CA C 24 59.041 59.041 60.383 -1.343 17628 4315 1 9 . 1 1 24 24 THR CB C 24 73.255 73.255 71.908 1.347 17628 4316 1 9 . 1 1 24 24 THR H H 24 7.599 7.599 7.922 -0.323 17628 4317 1 9 . 1 1 25 25 CYS N N 25 115.152 115.152 119.040 -3.888 17628 4318 1 9 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.939 -0.073 17628 4319 1 9 . 1 1 25 25 CYS C C 25 171.952 171.952 173.034 -1.082 17628 4320 1 9 . 1 1 25 25 CYS CA C 25 53.487 53.487 56.991 -3.504 17628 4321 1 9 . 1 1 25 25 CYS CB C 25 46.385 46.385 31.057 15.328 17628 4322 1 9 . 1 1 25 25 CYS H H 25 8.872 8.872 8.665 0.207 17628 4323 1 9 . 1 1 26 26 ARG N N 26 119.551 119.551 122.764 -3.213 17628 4324 1 9 . 1 1 26 26 ARG HA H 26 5.577 5.577 5.251 0.326 17628 4325 1 9 . 1 1 26 26 ARG C C 26 176.621 176.621 175.070 1.551 17628 4326 1 9 . 1 1 26 26 ARG CA C 26 54.125 54.125 55.045 -0.921 17628 4327 1 9 . 1 1 26 26 ARG CB C 26 32.588 32.588 31.121 1.467 17628 4328 1 9 . 1 1 26 26 ARG H H 26 8.481 8.481 8.388 0.093 17628 4329 1 9 . 1 1 27 27 GLY N N 27 111.192 111.192 112.299 -1.107 17628 4330 1 9 . 1 1 27 27 GLY C C 27 170.250 170.250 172.854 -2.604 17628 4331 1 9 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.625 -0.492 17628 4332 1 9 . 1 1 27 27 GLY H H 27 8.866 8.866 8.956 -0.090 17628 4333 1 9 . 1 1 28 28 ALA N N 28 123.763 123.763 122.013 1.750 17628 4334 1 9 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.887 -0.474 17628 4335 1 9 . 1 1 28 28 ALA C C 28 177.525 177.525 175.804 1.721 17628 4336 1 9 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.643 3.074 17628 4337 1 9 . 1 1 28 28 ALA CB C 28 19.214 19.214 20.839 -1.625 17628 4338 1 9 . 1 1 28 28 ALA H H 28 7.732 7.732 8.407 -0.675 17628 4339 1 9 . 1 1 29 29 TRP N N 29 112.576 112.576 114.205 -1.629 17628 4340 1 9 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.695 -0.055 17628 4341 1 9 . 1 1 29 29 TRP C C 29 172.901 172.901 173.330 -0.429 17628 4342 1 9 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.648 4.114 17628 4343 1 9 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.328 0.278 17628 4344 1 9 . 1 1 29 29 TRP H H 29 7.830 7.830 7.141 0.689 17628 4345 1 9 . 1 1 30 30 CYS N N 30 116.421 116.421 120.794 -4.373 17628 4346 1 9 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.634 0.260 17628 4347 1 9 . 1 1 30 30 CYS C C 30 176.719 176.719 174.979 1.740 17628 4348 1 9 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.470 -6.773 17628 4349 1 9 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.488 10.767 17628 4350 1 9 . 1 1 30 30 CYS H H 30 9.319 9.319 8.635 0.684 17628 4351 1 9 . 1 1 31 31 THR N N 31 110.073 110.073 117.485 -7.412 17628 4352 1 9 . 1 1 31 31 THR HA H 31 5.917 5.917 5.608 0.309 17628 4353 1 9 . 1 1 31 31 THR C C 31 177.249 177.249 174.157 3.092 17628 4354 1 9 . 1 1 31 31 THR CA C 31 59.845 59.845 60.227 -0.382 17628 4355 1 9 . 1 1 31 31 THR CB C 31 72.586 72.586 70.531 2.055 17628 4356 1 9 . 1 1 31 31 THR H H 31 8.936 8.936 9.462 -0.526 17628 4357 1 9 . 1 1 32 32 VAL N N 32 122.685 122.685 121.283 1.402 17628 4358 1 9 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.104 -0.342 17628 4359 1 9 . 1 1 32 32 VAL C C 32 173.813 173.813 174.191 -0.378 17628 4360 1 9 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.594 4.125 17628 4361 1 9 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.922 -0.050 17628 4362 1 9 . 1 1 32 32 VAL H H 32 8.841 8.841 9.246 -0.405 17628 4363 1 9 . 1 1 33 33 VAL N N 33 124.915 124.915 119.233 5.682 17628 4364 1 9 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.382 0.405 17628 4365 1 9 . 1 1 33 33 VAL C C 33 174.014 174.014 174.175 -0.161 17628 4366 1 9 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.616 -0.154 17628 4367 1 9 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.033 1.655 17628 4368 1 9 . 1 1 33 33 VAL H H 33 9.047 9.047 7.928 1.119 17628 4369 1 9 . 1 1 34 34 LEU N N 34 127.771 127.771 129.407 -1.636 17628 4370 1 9 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.927 -0.038 17628 4371 1 9 . 1 1 34 34 LEU C C 34 175.433 175.433 175.643 -0.210 17628 4372 1 9 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.739 0.276 17628 4373 1 9 . 1 1 34 34 LEU CB C 34 44.427 44.427 42.950 1.477 17628 4374 1 9 . 1 1 34 34 LEU H H 34 8.450 8.450 8.397 0.053 17628 4375 1 9 . 1 1 35 35 VAL N N 35 125.904 125.904 127.990 -2.086 17628 4376 1 9 . 1 1 35 35 VAL HA H 35 4.376 4.376 3.931 0.445 17628 4377 1 9 . 1 1 35 35 VAL C C 35 175.098 175.098 175.843 -0.745 17628 4378 1 9 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.490 -0.189 17628 4379 1 9 . 1 1 35 35 VAL CB C 35 34.190 34.190 30.457 3.733 17628 4380 1 9 . 1 1 35 35 VAL H H 35 8.868 8.868 8.623 0.245 17628 4381 1 9 . 1 1 36 36 ARG N N 36 127.282 127.282 129.087 -1.805 17628 4382 1 9 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.201 0.315 17628 4383 1 9 . 1 1 36 36 ARG C C 36 175.068 175.068 175.999 -0.931 17628 4384 1 9 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.417 0.107 17628 4385 1 9 . 1 1 36 36 ARG CB C 36 31.603 31.603 31.710 -0.107 17628 4386 1 9 . 1 1 36 36 ARG H H 36 8.665 8.665 7.701 0.964 17628 4387 1 9 . 1 1 37 37 GLU N N 37 124.628 124.628 121.860 2.768 17628 4388 1 9 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.758 -0.360 17628 4389 1 9 . 1 1 37 37 GLU C C 37 175.762 175.762 176.058 -0.296 17628 4390 1 9 . 1 1 37 37 GLU CA C 37 55.477 55.477 55.772 -0.295 17628 4391 1 9 . 1 1 37 37 GLU CB C 37 31.724 31.724 27.232 4.492 17628 4392 1 9 . 1 1 37 37 GLU H H 37 8.458 8.458 8.806 -0.348 17628 4393 1 9 . 1 1 38 38 GLU N N 38 123.236 123.236 125.403 -2.167 17628 4394 1 9 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.423 -0.395 17628 4395 1 9 . 1 1 38 38 GLU C C 38 177.354 177.354 176.446 0.908 17628 4396 1 9 . 1 1 38 38 GLU CA C 38 57.924 57.924 55.535 2.389 17628 4397 1 9 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.195 1.075 17628 4398 1 9 . 1 1 38 38 GLU H H 38 8.628 8.628 8.480 0.148 17628 4399 1 9 . 1 1 39 39 GLY N N 39 111.764 111.764 111.488 0.276 17628 4400 1 9 . 1 1 39 39 GLY C C 39 173.954 173.954 173.962 -0.008 17628 4401 1 9 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.069 0.523 17628 4402 1 9 . 1 1 39 39 GLY H H 39 8.670 8.670 8.551 0.119 17628 4403 1 9 . 1 1 40 40 ARG N N 40 118.313 118.313 119.559 -1.246 17628 4404 1 9 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.573 0.016 17628 4405 1 9 . 1 1 40 40 ARG C C 40 175.874 175.874 174.595 1.279 17628 4406 1 9 . 1 1 40 40 ARG CA C 40 54.585 54.585 54.062 0.523 17628 4407 1 9 . 1 1 40 40 ARG CB C 40 32.502 32.502 32.006 0.496 17628 4408 1 9 . 1 1 40 40 ARG H H 40 7.905 7.905 8.089 -0.184 17628 4409 1 9 . 1 1 41 41 HIS N N 41 120.013 120.013 123.425 -3.412 17628 4410 1 9 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.543 0.312 17628 4411 1 9 . 1 1 41 41 HIS C C 41 173.290 173.290 174.149 -0.859 17628 4412 1 9 . 1 1 41 41 HIS CA C 41 54.206 54.206 54.589 -0.383 17628 4413 1 9 . 1 1 41 41 HIS CB C 41 28.189 28.189 29.304 -1.115 17628 4414 1 9 . 1 1 41 41 HIS H H 41 8.512 8.512 8.812 -0.300 17628 4415 1 9 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.402 0.238 17628 4416 1 9 . 1 1 42 42 PRO C C 42 175.777 175.777 175.858 -0.081 17628 4417 1 9 . 1 1 42 42 PRO CA C 42 63.520 63.520 63.342 0.178 17628 4418 1 9 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.173 0.320 17628 4419 1 9 . 1 1 43 43 GLN N N 43 120.474 120.474 123.716 -3.242 17628 4420 1 9 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.439 0.158 17628 4421 1 9 . 1 1 43 43 GLN C C 43 173.963 173.963 174.605 -0.642 17628 4422 1 9 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.351 0.133 17628 4423 1 9 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.467 0.096 17628 4424 1 9 . 1 1 43 43 GLN H H 43 8.524 8.524 8.007 0.517 17628 4425 1 9 . 1 1 44 44 GLU N N 44 122.323 122.323 125.573 -3.250 17628 4426 1 9 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.326 0.761 17628 4427 1 9 . 1 1 44 44 GLU C C 44 175.650 175.650 175.645 0.005 17628 4428 1 9 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.054 -0.619 17628 4429 1 9 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.572 1.966 17628 4430 1 9 . 1 1 44 44 GLU H H 44 8.751 8.751 8.784 -0.033 17628 4431 1 9 . 1 1 45 45 HIS N N 45 122.818 122.818 125.029 -2.211 17628 4432 1 9 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.373 0.016 17628 4433 1 9 . 1 1 45 45 HIS C C 45 174.918 174.918 174.561 0.357 17628 4434 1 9 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.192 -1.034 17628 4435 1 9 . 1 1 45 45 HIS CB C 45 33.390 33.390 30.076 3.314 17628 4436 1 9 . 1 1 45 45 HIS H H 45 9.202 9.202 8.838 0.364 17628 4437 1 9 . 1 1 46 46 ARG N N 46 122.260 122.260 122.903 -0.643 17628 4438 1 9 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.185 0.032 17628 4439 1 9 . 1 1 46 46 ARG C C 46 176.255 176.255 174.911 1.344 17628 4440 1 9 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.303 0.541 17628 4441 1 9 . 1 1 46 46 ARG CB C 46 32.393 32.393 33.456 -1.063 17628 4442 1 9 . 1 1 46 46 ARG H H 46 8.847 8.847 8.122 0.725 17628 4443 1 9 . 1 1 47 47 GLY N N 47 114.135 114.135 109.070 5.065 17628 4444 1 9 . 1 1 47 47 GLY C C 47 171.175 171.175 172.206 -1.031 17628 4445 1 9 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.879 1.793 17628 4446 1 9 . 1 1 47 47 GLY H H 47 8.210 8.210 8.781 -0.571 17628 4447 1 9 . 1 1 48 48 CYS N N 48 118.698 118.698 120.902 -2.204 17628 4448 1 9 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.639 -0.447 17628 4449 1 9 . 1 1 48 48 CYS C C 48 173.522 173.522 175.610 -2.088 17628 4450 1 9 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.469 2.131 17628 4451 1 9 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.248 16.685 17628 4452 1 9 . 1 1 48 48 CYS H H 48 8.322 8.322 8.083 0.239 17628 4453 1 9 . 1 1 49 49 GLY N N 49 112.213 112.213 112.035 0.178 17628 4454 1 9 . 1 1 49 49 GLY C C 49 170.413 170.413 173.915 -3.502 17628 4455 1 9 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.922 -2.817 17628 4456 1 9 . 1 1 49 49 GLY H H 49 8.679 8.679 9.284 -0.605 17628 4457 1 9 . 1 1 50 50 ASN N N 50 115.420 115.420 117.867 -2.447 17628 4458 1 9 . 1 1 50 50 ASN HA H 50 4.028 4.028 3.855 0.173 17628 4459 1 9 . 1 1 50 50 ASN C C 50 173.574 173.574 176.228 -2.654 17628 4460 1 9 . 1 1 50 50 ASN CA C 50 54.381 54.381 55.132 -0.751 17628 4461 1 9 . 1 1 50 50 ASN CB C 50 42.721 42.721 36.151 6.570 17628 4462 1 9 . 1 1 50 50 ASN H H 50 8.103 8.103 7.986 0.117 17628 4463 1 9 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.117 0.538 17628 4464 1 9 . 1 1 51 51 LEU C C 51 176.323 176.323 177.965 -1.642 17628 4465 1 9 . 1 1 51 51 LEU CA C 51 54.399 54.399 56.231 -1.832 17628 4466 1 9 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.832 3.774 17628 4467 1 9 . 1 1 52 52 HIS N N 52 115.835 115.835 118.434 -2.599 17628 4468 1 9 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.757 0.230 17628 4469 1 9 . 1 1 52 52 HIS C C 52 176.442 176.442 175.600 0.842 17628 4470 1 9 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.707 0.276 17628 4471 1 9 . 1 1 52 52 HIS CB C 52 26.270 26.270 28.350 -2.080 17628 4472 1 9 . 1 1 52 52 HIS H H 52 8.904 8.904 8.216 0.688 17628 4473 1 9 . 1 1 53 53 ARG N N 53 124.169 124.169 124.608 -0.439 17628 4474 1 9 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.372 -1.052 17628 4475 1 9 . 1 1 53 53 ARG C C 53 177.862 177.862 177.919 -0.057 17628 4476 1 9 . 1 1 53 53 ARG CA C 53 57.358 57.358 58.372 -1.014 17628 4477 1 9 . 1 1 53 53 ARG CB C 53 29.654 29.654 29.809 -0.155 17628 4478 1 9 . 1 1 53 53 ARG H H 53 8.876 8.876 7.907 0.969 17628 4479 1 9 . 1 1 54 54 GLU N N 54 118.465 118.465 120.708 -2.243 17628 4480 1 9 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.080 -0.047 17628 4481 1 9 . 1 1 54 54 GLU C C 54 177.704 177.704 178.069 -0.365 17628 4482 1 9 . 1 1 54 54 GLU CA C 54 58.743 58.743 59.388 -0.645 17628 4483 1 9 . 1 1 54 54 GLU CB C 54 26.944 26.944 29.069 -2.125 17628 4484 1 9 . 1 1 54 54 GLU H H 54 9.759 9.759 8.562 1.197 17628 4485 1 9 . 1 1 55 55 LEU N N 55 120.238 120.238 118.457 1.781 17628 4486 1 9 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.548 -0.492 17628 4487 1 9 . 1 1 55 55 LEU C C 55 177.601 177.601 176.640 0.961 17628 4488 1 9 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.467 0.415 17628 4489 1 9 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.674 -0.449 17628 4490 1 9 . 1 1 55 55 LEU H H 55 7.351 7.351 7.752 -0.401 17628 4491 1 9 . 1 1 56 56 CYS N N 56 115.234 115.234 115.744 -0.510 17628 4492 1 9 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.502 -0.241 17628 4493 1 9 . 1 1 56 56 CYS C C 56 175.060 175.060 173.668 1.392 17628 4494 1 9 . 1 1 56 56 CYS CA C 56 55.883 55.883 58.053 -2.171 17628 4495 1 9 . 1 1 56 56 CYS CB C 56 38.516 38.516 26.867 11.649 17628 4496 1 9 . 1 1 56 56 CYS H H 56 7.640 7.640 7.663 -0.023 17628 4497 1 9 . 1 1 57 57 ARG N N 57 119.272 119.272 118.034 1.238 17628 4498 1 9 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.291 0.193 17628 4499 1 9 . 1 1 57 57 ARG C C 57 176.114 176.114 174.072 2.042 17628 4500 1 9 . 1 1 57 57 ARG CA C 57 55.323 55.323 55.418 -0.095 17628 4501 1 9 . 1 1 57 57 ARG CB C 57 31.650 31.650 30.908 0.742 17628 4502 1 9 . 1 1 57 57 ARG H H 57 7.626 7.626 7.191 0.435 17628 4503 1 9 . 1 1 58 58 GLY N N 58 108.813 108.813 109.939 -1.126 17628 4504 1 9 . 1 1 58 58 GLY C C 58 173.663 173.663 174.387 -0.724 17628 4505 1 9 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.103 0.254 17628 4506 1 9 . 1 1 58 58 GLY H H 58 8.139 8.139 8.381 -0.242 17628 4507 1 9 . 1 1 59 59 ARG N N 59 121.042 121.042 120.213 0.829 17628 4508 1 9 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.846 -0.090 17628 4509 1 9 . 1 1 59 59 ARG C C 59 174.784 174.784 174.230 0.554 17628 4510 1 9 . 1 1 59 59 ARG CA C 59 53.834 53.834 53.093 0.741 17628 4511 1 9 . 1 1 59 59 ARG CB C 59 30.716 30.716 31.108 -0.392 17628 4512 1 9 . 1 1 59 59 ARG H H 59 8.216 8.216 7.937 0.279 17628 4513 1 9 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.427 0.047 17628 4514 1 9 . 1 1 60 60 PRO C C 60 176.726 176.726 175.849 0.877 17628 4515 1 9 . 1 1 60 60 PRO CA C 60 63.849 63.849 62.722 1.127 17628 4516 1 9 . 1 1 60 60 PRO CB C 60 31.909 31.909 30.342 1.567 17628 4517 1 9 . 1 1 61 61 THR N N 61 110.945 110.945 112.357 -1.412 17628 4518 1 9 . 1 1 61 61 THR HA H 61 4.426 4.426 3.908 0.518 17628 4519 1 9 . 1 1 61 61 THR C C 61 174.238 174.238 173.536 0.702 17628 4520 1 9 . 1 1 61 61 THR CA C 61 61.219 61.219 63.011 -1.792 17628 4521 1 9 . 1 1 61 61 THR CB C 61 70.449 70.449 68.771 1.678 17628 4522 1 9 . 1 1 61 61 THR H H 61 7.940 7.940 8.049 -0.109 17628 4523 1 9 . 1 1 62 62 GLU N N 62 119.936 119.936 121.621 -1.685 17628 4524 1 9 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.426 -0.256 17628 4525 1 9 . 1 1 62 62 GLU C C 62 175.889 175.889 175.017 0.872 17628 4526 1 9 . 1 1 62 62 GLU CA C 62 57.090 57.090 58.170 -1.080 17628 4527 1 9 . 1 1 62 62 GLU CB C 62 30.109 30.109 31.388 -1.279 17628 4528 1 9 . 1 1 62 62 GLU H H 62 8.342 8.342 8.812 -0.470 17628 4529 1 9 . 1 1 63 63 PHE N N 63 117.934 117.934 115.484 2.450 17628 4530 1 9 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.729 -0.130 17628 4531 1 9 . 1 1 63 63 PHE C C 63 175.367 175.367 172.613 2.754 17628 4532 1 9 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.556 0.594 17628 4533 1 9 . 1 1 63 63 PHE CB C 63 39.511 39.511 40.314 -0.803 17628 4534 1 9 . 1 1 63 63 PHE H H 63 8.137 8.137 7.737 0.400 17628 4535 1 9 . 1 1 64 64 VAL N N 64 120.294 120.294 114.816 5.478 17628 4536 1 9 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.522 -0.139 17628 4537 1 9 . 1 1 64 64 VAL C C 64 174.649 174.649 174.909 -0.260 17628 4538 1 9 . 1 1 64 64 VAL CA C 64 62.287 62.287 59.790 2.497 17628 4539 1 9 . 1 1 64 64 VAL CB C 64 33.405 33.405 34.463 -1.058 17628 4540 1 9 . 1 1 64 64 VAL H H 64 7.792 7.792 7.407 0.385 17628 4541 1 9 . 1 1 65 65 ASN N N 65 121.166 121.166 122.217 -1.051 17628 4542 1 9 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.961 -0.064 17628 4543 1 9 . 1 1 65 65 ASN C C 65 173.716 173.716 174.086 -0.370 17628 4544 1 9 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.837 1.071 17628 4545 1 9 . 1 1 65 65 ASN CB C 65 40.357 40.357 38.620 1.737 17628 4546 1 9 . 1 1 65 65 ASN H H 65 8.455 8.455 8.524 -0.069 17628 4547 1 9 . 1 1 66 66 HIS N N 66 121.303 121.303 120.403 0.900 17628 4548 1 9 . 1 1 66 66 HIS HA H 66 5.051 5.051 4.615 0.436 17628 4549 1 9 . 1 1 66 66 HIS C C 66 172.730 172.730 174.517 -1.787 17628 4550 1 9 . 1 1 66 66 HIS CA C 66 55.764 55.764 57.507 -1.743 17628 4551 1 9 . 1 1 66 66 HIS CB C 66 31.856 31.856 28.244 3.611 17628 4552 1 9 . 1 1 66 66 HIS H H 66 8.128 8.128 7.882 0.246 17628 4553 1 9 . 1 1 67 67 TYR N N 67 125.626 125.626 126.716 -1.090 17628 4554 1 9 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.782 0.155 17628 4555 1 9 . 1 1 67 67 TYR C C 67 174.178 174.178 173.601 0.577 17628 4556 1 9 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.417 -0.236 17628 4557 1 9 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.451 0.696 17628 4558 1 9 . 1 1 67 67 TYR H H 67 9.065 9.065 8.989 0.076 17628 4559 1 9 . 1 1 68 68 CYS N N 68 123.801 123.801 124.169 -0.368 17628 4560 1 9 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.381 0.418 17628 4561 1 9 . 1 1 68 68 CYS C C 68 171.347 171.347 173.656 -2.309 17628 4562 1 9 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.089 -4.194 17628 4563 1 9 . 1 1 68 68 CYS CB C 68 45.198 45.198 27.992 17.206 17628 4564 1 9 . 1 1 68 68 CYS H H 68 7.902 7.902 7.807 0.095 17628 4565 1 9 . 1 1 69 69 CYS N N 69 115.715 115.715 120.988 -5.273 17628 4566 1 9 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.576 0.206 17628 4567 1 9 . 1 1 69 69 CYS C C 69 173.552 173.552 172.904 0.648 17628 4568 1 9 . 1 1 69 69 CYS CA C 69 54.996 54.996 57.693 -2.697 17628 4569 1 9 . 1 1 69 69 CYS CB C 69 44.900 44.900 31.172 13.728 17628 4570 1 9 . 1 1 69 69 CYS H H 69 8.843 8.843 8.952 -0.109 17628 4571 1 9 . 1 1 70 70 ASP N N 70 120.487 120.487 121.816 -1.329 17628 4572 1 9 . 1 1 70 70 ASP HA H 70 5.164 5.164 5.007 0.157 17628 4573 1 9 . 1 1 70 70 ASP C C 70 174.507 174.507 174.022 0.485 17628 4574 1 9 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.425 0.402 17628 4575 1 9 . 1 1 70 70 ASP CB C 70 42.481 42.481 40.896 1.585 17628 4576 1 9 . 1 1 70 70 ASP H H 70 8.531 8.531 8.786 -0.255 17628 4577 1 9 . 1 1 71 71 SER N N 71 113.179 113.179 115.620 -2.441 17628 4578 1 9 . 1 1 71 71 SER HA H 71 4.896 4.896 4.449 0.447 17628 4579 1 9 . 1 1 71 71 SER C C 71 173.387 173.387 172.946 0.441 17628 4580 1 9 . 1 1 71 71 SER CA C 71 57.709 57.709 57.352 0.357 17628 4581 1 9 . 1 1 71 71 SER CB C 71 66.587 66.587 65.456 1.131 17628 4582 1 9 . 1 1 71 71 SER H H 71 7.641 7.641 7.754 -0.113 17628 4583 1 9 . 1 1 72 72 HIS N N 72 119.348 119.348 120.952 -1.604 17628 4584 1 9 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.584 -0.046 17628 4585 1 9 . 1 1 72 72 HIS C C 72 176.173 176.173 176.251 -0.078 17628 4586 1 9 . 1 1 72 72 HIS CA C 72 58.734 58.734 57.205 1.529 17628 4587 1 9 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.984 1.792 17628 4588 1 9 . 1 1 72 72 HIS H H 72 8.308 8.308 8.519 -0.211 17628 4589 1 9 . 1 1 73 73 LEU N N 73 123.124 123.124 119.511 3.613 17628 4590 1 9 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.971 -0.203 17628 4591 1 9 . 1 1 73 73 LEU C C 73 178.572 178.572 176.395 2.177 17628 4592 1 9 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.489 1.113 17628 4593 1 9 . 1 1 73 73 LEU CB C 73 40.002 40.002 38.848 1.154 17628 4594 1 9 . 1 1 73 73 LEU H H 73 9.769 9.769 8.981 0.788 17628 4595 1 9 . 1 1 74 74 CYS N N 74 116.789 116.789 117.929 -1.140 17628 4596 1 9 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.529 -0.107 17628 4597 1 9 . 1 1 74 74 CYS C C 74 174.644 174.644 176.376 -1.732 17628 4598 1 9 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.467 -0.907 17628 4599 1 9 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.473 15.796 17628 4600 1 9 . 1 1 74 74 CYS H H 74 8.488 8.488 8.113 0.375 17628 4601 1 9 . 1 1 75 75 ASN N N 75 118.193 118.193 120.240 -2.047 17628 4602 1 9 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.663 -0.245 17628 4603 1 9 . 1 1 75 75 ASN C C 75 175.216 175.216 176.756 -1.540 17628 4604 1 9 . 1 1 75 75 ASN CA C 75 52.578 52.578 55.329 -2.751 17628 4605 1 9 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.327 0.286 17628 4606 1 9 . 1 1 75 75 ASN H H 75 8.432 8.432 8.096 0.336 17628 4607 1 9 . 1 1 76 76 HIS N N 76 120.329 120.329 120.820 -0.491 17628 4608 1 9 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.427 -0.260 17628 4609 1 9 . 1 1 76 76 HIS C C 76 174.631 174.631 174.802 -0.171 17628 4610 1 9 . 1 1 76 76 HIS CA C 76 59.328 59.328 58.858 0.469 17628 4611 1 9 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.915 -0.207 17628 4612 1 9 . 1 1 76 76 HIS H H 76 7.768 7.768 8.447 -0.679 17628 4613 1 9 . 1 1 77 77 ASN N N 77 115.167 115.167 114.475 0.692 17628 4614 1 9 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.645 -0.087 17628 4615 1 9 . 1 1 77 77 ASN C C 77 174.522 174.522 173.961 0.561 17628 4616 1 9 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.254 0.610 17628 4617 1 9 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.828 -0.109 17628 4618 1 9 . 1 1 77 77 ASN H H 77 8.457 8.457 7.683 0.774 17628 4619 1 9 . 1 1 78 78 VAL N N 78 119.202 119.202 120.526 -1.324 17628 4620 1 9 . 1 1 78 78 VAL HA H 78 3.843 3.843 3.928 -0.085 17628 4621 1 9 . 1 1 78 78 VAL C C 78 174.709 174.709 174.043 0.666 17628 4622 1 9 . 1 1 78 78 VAL CA C 78 62.643 62.643 63.336 -0.693 17628 4623 1 9 . 1 1 78 78 VAL CB C 78 33.309 33.309 32.937 0.372 17628 4624 1 9 . 1 1 78 78 VAL H H 78 6.691 6.691 7.082 -0.391 17628 4625 1 9 . 1 1 79 79 SER HA H 79 4.846 4.846 4.587 0.259 17628 4626 1 9 . 1 1 79 79 SER C C 79 174.082 174.082 173.857 0.225 17628 4627 1 9 . 1 1 79 79 SER CA C 79 56.222 56.222 57.615 -1.393 17628 4628 1 9 . 1 1 79 79 SER CB C 79 64.855 64.855 62.790 2.065 17628 4629 1 9 . 1 1 80 80 LEU N N 80 126.815 126.815 118.040 8.775 17628 4630 1 9 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.482 -0.122 17628 4631 1 9 . 1 1 80 80 LEU C C 80 176.897 176.897 176.785 0.112 17628 4632 1 9 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.558 -0.258 17628 4633 1 9 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.711 -0.040 17628 4634 1 9 . 1 1 80 80 LEU H H 80 9.623 9.623 7.776 1.847 17628 4635 1 9 . 1 1 81 81 VAL N N 81 117.921 117.921 120.397 -2.476 17628 4636 1 9 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.846 0.098 17628 4637 1 9 . 1 1 81 81 VAL C C 81 175.889 175.889 175.359 0.530 17628 4638 1 9 . 1 1 81 81 VAL CA C 81 62.536 62.536 62.220 0.316 17628 4639 1 9 . 1 1 81 81 VAL CB C 81 32.869 32.869 30.485 2.384 17628 4640 1 9 . 1 1 81 81 VAL H H 81 7.824 7.824 7.447 0.377 17628 4641 1 9 . 1 1 82 82 LEU N N 82 124.533 124.533 129.616 -5.083 17628 4642 1 9 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.184 0.107 17628 4643 1 9 . 1 1 82 82 LEU C C 82 177.197 177.197 175.423 1.774 17628 4644 1 9 . 1 1 82 82 LEU CA C 82 55.131 55.131 55.035 0.096 17628 4645 1 9 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.325 1.966 17628 4646 1 9 . 1 1 82 82 LEU H H 82 8.059 8.059 8.224 -0.165 17628 4647 1 9 . 1 1 83 83 GLU N N 83 120.926 120.926 124.261 -3.335 17628 4648 1 9 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.416 -0.234 17628 4649 1 9 . 1 1 83 83 GLU C C 83 175.897 175.897 174.540 1.357 17628 4650 1 9 . 1 1 83 83 GLU CA C 83 56.515 56.515 55.156 1.359 17628 4651 1 9 . 1 1 83 83 GLU CB C 83 30.167 30.167 33.899 -3.732 17628 4652 1 9 . 1 1 83 83 GLU H H 83 8.047 8.047 7.751 0.296 17628 4653 1 9 . 1 1 84 84 ALA N N 84 124.350 124.350 124.508 -0.158 17628 4654 1 9 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.558 -0.254 17628 4655 1 9 . 1 1 84 84 ALA C C 84 177.704 177.704 176.917 0.787 17628 4656 1 9 . 1 1 84 84 ALA CA C 84 52.535 52.535 51.758 0.777 17628 4657 1 9 . 1 1 84 84 ALA CB C 84 19.334 19.334 19.437 -0.103 17628 4658 1 9 . 1 1 84 84 ALA H H 84 8.162 8.162 8.462 -0.300 17628 4659 1 9 . 1 1 85 85 THR N N 85 112.934 112.934 116.493 -3.559 17628 4660 1 9 . 1 1 85 85 THR HA H 85 4.264 4.264 3.964 0.300 17628 4661 1 9 . 1 1 85 85 THR C C 85 174.231 174.231 173.003 1.228 17628 4662 1 9 . 1 1 85 85 THR CA C 85 61.831 61.831 63.283 -1.452 17628 4663 1 9 . 1 1 85 85 THR CB C 85 69.955 69.955 67.806 2.149 17628 4664 1 9 . 1 1 85 85 THR H H 85 7.981 7.981 8.558 -0.577 17628 4665 1 9 . 1 1 86 86 GLN N N 86 123.516 123.516 123.221 0.295 17628 4666 1 9 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.642 -0.032 17628 4667 1 9 . 1 1 86 86 GLN C C 86 173.352 173.352 173.124 0.228 17628 4668 1 9 . 1 1 86 86 GLN CA C 86 53.606 53.606 52.998 0.608 17628 4669 1 9 . 1 1 86 86 GLN CB C 86 29.094 29.094 29.391 -0.297 17628 4670 1 9 . 1 1 86 86 GLN H H 86 8.217 8.217 8.037 0.180 17628 4671 1 9 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.735 -0.322 17628 4672 1 9 . 1 1 88 88 PRO C C 88 176.930 176.930 175.980 0.950 17628 4673 1 9 . 1 1 88 88 PRO CA C 88 63.105 63.105 61.981 1.124 17628 4674 1 9 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.790 -0.630 17628 4675 1 9 . 1 1 89 89 SER N N 89 116.298 116.298 119.958 -3.660 17628 4676 1 9 . 1 1 89 89 SER HA H 89 4.419 4.419 4.398 0.021 17628 4677 1 9 . 1 1 89 89 SER C C 89 174.469 174.469 175.571 -1.102 17628 4678 1 9 . 1 1 89 89 SER CA C 89 58.378 58.378 59.560 -1.182 17628 4679 1 9 . 1 1 89 89 SER CB C 89 63.995 63.995 64.069 -0.074 17628 4680 1 9 . 1 1 89 89 SER H H 89 8.358 8.358 8.657 -0.299 17628 4681 1 9 . 1 1 90 90 GLU N N 90 122.340 122.340 121.675 0.665 17628 4682 1 9 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.284 0.363 17628 4683 1 9 . 1 1 90 90 GLU C C 90 175.971 175.971 175.832 0.139 17628 4684 1 9 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.367 -1.017 17628 4685 1 9 . 1 1 90 90 GLU CB C 90 30.349 30.349 30.311 0.038 17628 4686 1 9 . 1 1 90 90 GLU H H 90 8.338 8.338 7.504 0.834 17628 4687 1 9 . 1 1 91 91 GLN N N 91 122.043 122.043 117.966 4.077 17628 4688 1 9 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.571 0.033 17628 4689 1 9 . 1 1 91 91 GLN C C 91 173.879 173.879 174.275 -0.396 17628 4690 1 9 . 1 1 91 91 GLN CA C 91 53.624 53.624 52.624 1.000 17628 4691 1 9 . 1 1 91 91 GLN CB C 91 29.090 29.090 30.249 -1.159 17628 4692 1 9 . 1 1 91 91 GLN H H 91 8.317 8.317 8.120 0.197 17628 4693 1 9 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.456 -0.039 17628 4694 1 9 . 1 1 92 92 PRO C C 92 177.488 177.488 176.241 1.247 17628 4695 1 9 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.738 0.645 17628 4696 1 9 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.068 0.085 17628 4697 1 9 . 1 1 93 93 GLY N N 93 109.201 109.201 109.482 -0.281 17628 4698 1 9 . 1 1 93 93 GLY C C 93 174.619 174.619 173.694 0.925 17628 4699 1 9 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.589 0.754 17628 4700 1 9 . 1 1 93 93 GLY H H 93 8.480 8.480 7.754 0.726 17628 4701 1 9 . 1 1 94 94 THR N N 94 112.828 112.828 121.389 -8.561 17628 4702 1 9 . 1 1 94 94 THR HA H 94 4.356 4.356 4.246 0.110 17628 4703 1 9 . 1 1 94 94 THR C C 94 174.510 174.510 174.332 0.178 17628 4704 1 9 . 1 1 94 94 THR CA C 94 61.816 61.816 62.737 -0.921 17628 4705 1 9 . 1 1 94 94 THR CB C 94 69.913 69.913 69.088 0.825 17628 4706 1 9 . 1 1 94 94 THR H H 94 8.044 8.044 8.341 -0.297 17628 4707 1 9 . 1 1 95 95 ASP N N 95 122.173 122.173 127.380 -5.207 17628 4708 1 9 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.537 0.069 17628 4709 1 9 . 1 1 95 95 ASP C C 95 176.584 176.584 177.104 -0.520 17628 4710 1 9 . 1 1 95 95 ASP CA C 95 54.631 54.631 54.528 0.103 17628 4711 1 9 . 1 1 95 95 ASP CB C 95 41.067 41.067 41.590 -0.523 17628 4712 1 9 . 1 1 95 95 ASP H H 95 8.413 8.413 8.514 -0.101 17628 4713 1 9 . 1 1 96 96 GLY N N 96 109.220 109.220 109.582 -0.362 17628 4714 1 9 . 1 1 96 96 GLY C C 96 173.454 173.454 174.407 -0.953 17628 4715 1 9 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.167 0.498 17628 4716 1 9 . 1 1 96 96 GLY H H 96 8.290 8.290 8.042 0.248 17628 4717 1 10 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.556 -0.147 17628 4718 1 10 . 1 1 2 2 PRO C C 2 176.726 176.726 176.755 -0.029 17628 4719 1 10 . 1 1 2 2 PRO CA C 2 63.021 63.021 63.219 -0.198 17628 4720 1 10 . 1 1 2 2 PRO CB C 2 32.135 32.135 31.298 0.837 17628 4721 1 10 . 1 1 3 3 VAL N N 3 120.494 120.494 119.260 1.234 17628 4722 1 10 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.428 -0.434 17628 4723 1 10 . 1 1 3 3 VAL C C 3 175.979 175.979 175.514 0.465 17628 4724 1 10 . 1 1 3 3 VAL CA C 3 62.467 62.467 60.841 1.626 17628 4725 1 10 . 1 1 3 3 VAL CB C 3 32.545 32.545 33.419 -0.875 17628 4726 1 10 . 1 1 3 3 VAL H H 3 8.140 8.140 8.140 -0.000 17628 4727 1 10 . 1 1 4 4 LYS N N 4 126.411 126.411 122.695 3.716 17628 4728 1 10 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.721 -0.137 17628 4729 1 10 . 1 1 4 4 LYS C C 4 174.350 174.350 174.129 0.221 17628 4730 1 10 . 1 1 4 4 LYS CA C 4 54.055 54.055 52.831 1.224 17628 4731 1 10 . 1 1 4 4 LYS CB C 4 32.579 32.579 32.868 -0.290 17628 4732 1 10 . 1 1 4 4 LYS H H 4 8.276 8.276 8.243 0.033 17628 4733 1 10 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.306 0.119 17628 4734 1 10 . 1 1 5 5 PRO C C 5 176.929 176.929 177.477 -0.548 17628 4735 1 10 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.969 -0.774 17628 4736 1 10 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.283 0.805 17628 4737 1 10 . 1 1 6 6 SER N N 6 115.564 115.564 117.625 -2.061 17628 4738 1 10 . 1 1 6 6 SER HA H 6 4.379 4.379 3.901 0.478 17628 4739 1 10 . 1 1 6 6 SER C C 6 174.458 174.458 173.562 0.896 17628 4740 1 10 . 1 1 6 6 SER CA C 6 58.418 58.418 59.790 -1.372 17628 4741 1 10 . 1 1 6 6 SER CB C 6 63.981 63.981 62.725 1.256 17628 4742 1 10 . 1 1 6 6 SER H H 6 8.283 8.283 8.612 -0.329 17628 4743 1 10 . 1 1 7 7 ARG N N 7 122.599 122.599 121.095 1.504 17628 4744 1 10 . 1 1 7 7 ARG HA H 7 4.424 4.424 4.066 0.358 17628 4745 1 10 . 1 1 7 7 ARG C C 7 176.216 176.216 175.057 1.159 17628 4746 1 10 . 1 1 7 7 ARG CA C 7 56.083 56.083 56.475 -0.392 17628 4747 1 10 . 1 1 7 7 ARG CB C 7 31.142 31.142 29.083 2.059 17628 4748 1 10 . 1 1 7 7 ARG H H 7 8.321 8.321 7.952 0.369 17628 4749 1 10 . 1 1 8 8 GLY N N 8 110.092 110.092 109.219 0.873 17628 4750 1 10 . 1 1 8 8 GLY C C 8 171.536 171.536 171.624 -0.088 17628 4751 1 10 . 1 1 8 8 GLY CA C 8 44.474 44.474 45.874 -1.401 17628 4752 1 10 . 1 1 8 8 GLY H H 8 8.248 8.248 7.939 0.309 17628 4753 1 10 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.608 -0.183 17628 4754 1 10 . 1 1 9 9 PRO C C 9 176.675 176.675 175.633 1.042 17628 4755 1 10 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.534 0.666 17628 4756 1 10 . 1 1 9 9 PRO CB C 9 32.242 32.242 30.932 1.310 17628 4757 1 10 . 1 1 10 10 LEU N N 10 120.335 120.335 125.877 -5.542 17628 4758 1 10 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.596 -0.081 17628 4759 1 10 . 1 1 10 10 LEU C C 10 176.413 176.413 176.954 -0.541 17628 4760 1 10 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.629 -0.229 17628 4761 1 10 . 1 1 10 10 LEU CB C 10 43.946 43.946 41.275 2.671 17628 4762 1 10 . 1 1 10 10 LEU H H 10 8.018 8.018 7.909 0.109 17628 4763 1 10 . 1 1 11 11 VAL N N 11 120.543 120.543 126.363 -5.820 17628 4764 1 10 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.300 0.155 17628 4765 1 10 . 1 1 11 11 VAL C C 11 174.141 174.141 175.805 -1.664 17628 4766 1 10 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.390 -1.122 17628 4767 1 10 . 1 1 11 11 VAL CB C 11 35.006 35.006 33.251 1.755 17628 4768 1 10 . 1 1 11 11 VAL H H 11 9.111 9.111 8.334 0.777 17628 4769 1 10 . 1 1 12 12 THR N N 12 120.707 120.707 124.083 -3.376 17628 4770 1 10 . 1 1 12 12 THR HA H 12 4.883 4.883 5.189 -0.306 17628 4771 1 10 . 1 1 12 12 THR C C 12 173.103 173.103 173.747 -0.644 17628 4772 1 10 . 1 1 12 12 THR CA C 12 62.760 62.760 63.530 -0.770 17628 4773 1 10 . 1 1 12 12 THR CB C 12 69.037 69.037 69.885 -0.848 17628 4774 1 10 . 1 1 12 12 THR H H 12 8.886 8.886 8.613 0.273 17628 4775 1 10 . 1 1 13 13 CYS N N 13 124.651 124.651 123.766 0.885 17628 4776 1 10 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.790 0.092 17628 4777 1 10 . 1 1 13 13 CYS C C 13 174.463 174.463 173.369 1.094 17628 4778 1 10 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.798 -6.676 17628 4779 1 10 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.767 10.640 17628 4780 1 10 . 1 1 13 13 CYS H H 13 9.165 9.165 8.168 0.997 17628 4781 1 10 . 1 1 14 14 THR N N 14 121.496 121.496 120.020 1.476 17628 4782 1 10 . 1 1 14 14 THR HA H 14 4.001 4.001 4.452 -0.451 17628 4783 1 10 . 1 1 14 14 THR C C 14 172.453 172.453 174.093 -1.640 17628 4784 1 10 . 1 1 14 14 THR CA C 14 66.024 66.024 63.828 2.196 17628 4785 1 10 . 1 1 14 14 THR CB C 14 69.319 69.319 67.689 1.630 17628 4786 1 10 . 1 1 14 14 THR H H 14 8.931 8.931 8.543 0.388 17628 4787 1 10 . 1 1 15 15 CYS N N 15 129.296 129.296 128.169 1.127 17628 4788 1 10 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.272 -0.238 17628 4789 1 10 . 1 1 15 15 CYS C C 15 174.111 174.111 173.741 0.370 17628 4790 1 10 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.344 -0.337 17628 4791 1 10 . 1 1 15 15 CYS CB C 15 37.153 37.153 28.860 8.293 17628 4792 1 10 . 1 1 15 15 CYS H H 15 8.227 8.227 8.899 -0.672 17628 4793 1 10 . 1 1 16 16 GLU N N 16 127.625 127.625 128.567 -0.942 17628 4794 1 10 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.421 0.092 17628 4795 1 10 . 1 1 16 16 GLU C C 16 173.185 173.185 175.226 -2.041 17628 4796 1 10 . 1 1 16 16 GLU CA C 16 56.082 56.082 54.916 1.166 17628 4797 1 10 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.454 0.596 17628 4798 1 10 . 1 1 16 16 GLU H H 16 9.106 9.106 9.019 0.087 17628 4799 1 10 . 1 1 17 17 SER N N 17 123.384 123.384 117.719 5.665 17628 4800 1 10 . 1 1 17 17 SER HA H 17 4.503 4.503 3.958 0.545 17628 4801 1 10 . 1 1 17 17 SER C C 17 172.946 172.946 172.085 0.861 17628 4802 1 10 . 1 1 17 17 SER CA C 17 57.341 57.341 59.828 -2.487 17628 4803 1 10 . 1 1 17 17 SER CB C 17 63.379 63.379 62.153 1.226 17628 4804 1 10 . 1 1 17 17 SER H H 17 7.770 7.770 8.671 -0.901 17628 4805 1 10 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.571 -0.219 17628 4806 1 10 . 1 1 18 18 PRO C C 18 176.600 176.600 177.159 -0.559 17628 4807 1 10 . 1 1 18 18 PRO CA C 18 64.427 64.427 64.003 0.424 17628 4808 1 10 . 1 1 18 18 PRO CB C 18 32.007 32.007 31.961 0.046 17628 4809 1 10 . 1 1 19 19 HIS N N 19 113.110 113.110 115.952 -2.842 17628 4810 1 10 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.758 -0.080 17628 4811 1 10 . 1 1 19 19 HIS C C 19 175.396 175.396 174.481 0.915 17628 4812 1 10 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.732 -0.703 17628 4813 1 10 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.465 -1.056 17628 4814 1 10 . 1 1 19 19 HIS H H 19 7.898 7.898 7.345 0.553 17628 4815 1 10 . 1 1 20 20 CYS N N 20 119.283 119.283 118.563 0.720 17628 4816 1 10 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.638 -0.274 17628 4817 1 10 . 1 1 20 20 CYS C C 20 174.956 174.956 175.229 -0.273 17628 4818 1 10 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.712 0.052 17628 4819 1 10 . 1 1 20 20 CYS CB C 20 42.002 42.002 30.881 11.121 17628 4820 1 10 . 1 1 20 20 CYS H H 20 7.305 7.305 7.624 -0.319 17628 4821 1 10 . 1 1 21 21 LYS N N 21 124.199 124.199 122.443 1.756 17628 4822 1 10 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.361 0.042 17628 4823 1 10 . 1 1 21 21 LYS C C 21 175.650 175.650 175.862 -0.212 17628 4824 1 10 . 1 1 21 21 LYS CA C 21 56.112 56.112 55.985 0.127 17628 4825 1 10 . 1 1 21 21 LYS CB C 21 32.166 32.166 31.039 1.127 17628 4826 1 10 . 1 1 21 21 LYS H H 21 8.851 8.851 8.750 0.101 17628 4827 1 10 . 1 1 22 22 GLY N N 22 108.943 108.943 107.472 1.471 17628 4828 1 10 . 1 1 22 22 GLY C C 22 171.467 171.467 172.703 -1.236 17628 4829 1 10 . 1 1 22 22 GLY CA C 22 44.437 44.437 44.026 0.411 17628 4830 1 10 . 1 1 22 22 GLY H H 22 7.768 7.768 7.241 0.527 17628 4831 1 10 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.362 0.452 17628 4832 1 10 . 1 1 23 23 PRO C C 23 177.578 177.578 176.167 1.411 17628 4833 1 10 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.366 -0.156 17628 4834 1 10 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.044 0.341 17628 4835 1 10 . 1 1 24 24 THR N N 24 108.931 108.931 106.208 2.723 17628 4836 1 10 . 1 1 24 24 THR HA H 24 5.358 5.358 4.942 0.416 17628 4837 1 10 . 1 1 24 24 THR C C 24 173.043 173.043 173.385 -0.342 17628 4838 1 10 . 1 1 24 24 THR CA C 24 59.041 59.041 59.954 -0.913 17628 4839 1 10 . 1 1 24 24 THR CB C 24 73.255 73.255 71.310 1.945 17628 4840 1 10 . 1 1 24 24 THR H H 24 7.599 7.599 7.591 0.008 17628 4841 1 10 . 1 1 25 25 CYS N N 25 115.152 115.152 120.260 -5.108 17628 4842 1 10 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.815 0.051 17628 4843 1 10 . 1 1 25 25 CYS C C 25 171.952 171.952 172.984 -1.032 17628 4844 1 10 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.929 -4.442 17628 4845 1 10 . 1 1 25 25 CYS CB C 25 46.385 46.385 31.235 15.150 17628 4846 1 10 . 1 1 25 25 CYS H H 25 8.872 8.872 8.455 0.417 17628 4847 1 10 . 1 1 26 26 ARG N N 26 119.551 119.551 123.353 -3.802 17628 4848 1 10 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.380 1.197 17628 4849 1 10 . 1 1 26 26 ARG C C 26 176.621 176.621 176.226 0.395 17628 4850 1 10 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.925 -2.800 17628 4851 1 10 . 1 1 26 26 ARG CB C 26 32.588 32.588 31.124 1.464 17628 4852 1 10 . 1 1 26 26 ARG H H 26 8.481 8.481 8.619 -0.138 17628 4853 1 10 . 1 1 27 27 GLY N N 27 111.192 111.192 110.900 0.292 17628 4854 1 10 . 1 1 27 27 GLY C C 27 170.250 170.250 172.586 -2.336 17628 4855 1 10 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.025 0.108 17628 4856 1 10 . 1 1 27 27 GLY H H 27 8.866 8.866 8.124 0.742 17628 4857 1 10 . 1 1 28 28 ALA N N 28 123.763 123.763 122.077 1.686 17628 4858 1 10 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.299 0.114 17628 4859 1 10 . 1 1 28 28 ALA C C 28 177.525 177.525 176.394 1.131 17628 4860 1 10 . 1 1 28 28 ALA CA C 28 54.717 54.717 52.559 2.158 17628 4861 1 10 . 1 1 28 28 ALA CB C 28 19.214 19.214 19.716 -0.502 17628 4862 1 10 . 1 1 28 28 ALA H H 28 7.732 7.732 8.622 -0.890 17628 4863 1 10 . 1 1 29 29 TRP N N 29 112.576 112.576 112.977 -0.401 17628 4864 1 10 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.714 -0.074 17628 4865 1 10 . 1 1 29 29 TRP C C 29 172.901 172.901 173.525 -0.624 17628 4866 1 10 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.911 3.851 17628 4867 1 10 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.450 0.156 17628 4868 1 10 . 1 1 29 29 TRP H H 29 7.830 7.830 7.058 0.772 17628 4869 1 10 . 1 1 30 30 CYS N N 30 116.421 116.421 121.867 -5.446 17628 4870 1 10 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.679 0.215 17628 4871 1 10 . 1 1 30 30 CYS C C 30 176.719 176.719 175.438 1.281 17628 4872 1 10 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.403 -6.706 17628 4873 1 10 . 1 1 30 30 CYS CB C 30 38.255 38.255 26.849 11.405 17628 4874 1 10 . 1 1 30 30 CYS H H 30 9.319 9.319 8.888 0.431 17628 4875 1 10 . 1 1 31 31 THR N N 31 110.073 110.073 118.821 -8.748 17628 4876 1 10 . 1 1 31 31 THR HA H 31 5.917 5.917 5.905 0.012 17628 4877 1 10 . 1 1 31 31 THR C C 31 177.249 177.249 174.359 2.890 17628 4878 1 10 . 1 1 31 31 THR CA C 31 59.845 59.845 59.975 -0.130 17628 4879 1 10 . 1 1 31 31 THR CB C 31 72.586 72.586 70.539 2.047 17628 4880 1 10 . 1 1 31 31 THR H H 31 8.936 8.936 9.288 -0.352 17628 4881 1 10 . 1 1 32 32 VAL N N 32 122.685 122.685 118.731 3.954 17628 4882 1 10 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.298 -0.536 17628 4883 1 10 . 1 1 32 32 VAL C C 32 173.813 173.813 174.197 -0.384 17628 4884 1 10 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.050 4.669 17628 4885 1 10 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.768 0.104 17628 4886 1 10 . 1 1 32 32 VAL H H 32 8.841 8.841 8.884 -0.043 17628 4887 1 10 . 1 1 33 33 VAL N N 33 124.915 124.915 116.982 7.933 17628 4888 1 10 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.735 0.052 17628 4889 1 10 . 1 1 33 33 VAL C C 33 174.014 174.014 174.208 -0.194 17628 4890 1 10 . 1 1 33 33 VAL CA C 33 60.462 60.462 61.200 -0.738 17628 4891 1 10 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.159 1.529 17628 4892 1 10 . 1 1 33 33 VAL H H 33 9.047 9.047 8.391 0.656 17628 4893 1 10 . 1 1 34 34 LEU N N 34 127.771 127.771 128.247 -0.476 17628 4894 1 10 . 1 1 34 34 LEU HA H 34 4.889 4.889 5.352 -0.463 17628 4895 1 10 . 1 1 34 34 LEU C C 34 175.433 175.433 176.559 -1.126 17628 4896 1 10 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.053 0.962 17628 4897 1 10 . 1 1 34 34 LEU CB C 34 44.427 44.427 44.262 0.165 17628 4898 1 10 . 1 1 34 34 LEU H H 34 8.450 8.450 8.307 0.143 17628 4899 1 10 . 1 1 35 35 VAL N N 35 125.904 125.904 129.084 -3.180 17628 4900 1 10 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.269 0.107 17628 4901 1 10 . 1 1 35 35 VAL C C 35 175.098 175.098 175.730 -0.632 17628 4902 1 10 . 1 1 35 35 VAL CA C 35 61.301 61.301 62.291 -0.990 17628 4903 1 10 . 1 1 35 35 VAL CB C 35 34.190 34.190 31.397 2.793 17628 4904 1 10 . 1 1 35 35 VAL H H 35 8.868 8.868 8.334 0.534 17628 4905 1 10 . 1 1 36 36 ARG N N 36 127.282 127.282 126.914 0.368 17628 4906 1 10 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.198 0.318 17628 4907 1 10 . 1 1 36 36 ARG C C 36 175.068 175.068 176.768 -1.700 17628 4908 1 10 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.603 -0.080 17628 4909 1 10 . 1 1 36 36 ARG CB C 36 31.603 31.603 30.715 0.888 17628 4910 1 10 . 1 1 36 36 ARG H H 36 8.665 8.665 8.527 0.138 17628 4911 1 10 . 1 1 37 37 GLU N N 37 124.628 124.628 120.653 3.975 17628 4912 1 10 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.261 0.137 17628 4913 1 10 . 1 1 37 37 GLU C C 37 175.762 175.762 176.634 -0.872 17628 4914 1 10 . 1 1 37 37 GLU CA C 37 55.477 55.477 56.446 -0.969 17628 4915 1 10 . 1 1 37 37 GLU CB C 37 31.724 31.724 30.064 1.660 17628 4916 1 10 . 1 1 37 37 GLU H H 37 8.458 8.458 8.546 -0.088 17628 4917 1 10 . 1 1 38 38 GLU N N 38 123.236 123.236 120.991 2.245 17628 4918 1 10 . 1 1 38 38 GLU HA H 38 4.028 4.028 3.896 0.132 17628 4919 1 10 . 1 1 38 38 GLU C C 38 177.354 177.354 176.297 1.057 17628 4920 1 10 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.378 1.546 17628 4921 1 10 . 1 1 38 38 GLU CB C 38 29.270 29.270 27.986 1.284 17628 4922 1 10 . 1 1 38 38 GLU H H 38 8.628 8.628 8.725 -0.097 17628 4923 1 10 . 1 1 39 39 GLY N N 39 111.764 111.764 108.200 3.564 17628 4924 1 10 . 1 1 39 39 GLY C C 39 173.954 173.954 174.326 -0.372 17628 4925 1 10 . 1 1 39 39 GLY CA C 39 45.592 45.592 44.910 0.682 17628 4926 1 10 . 1 1 39 39 GLY H H 39 8.670 8.670 8.795 -0.125 17628 4927 1 10 . 1 1 40 40 ARG N N 40 118.313 118.313 123.348 -5.035 17628 4928 1 10 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.756 -0.167 17628 4929 1 10 . 1 1 40 40 ARG C C 40 175.874 175.874 174.883 0.991 17628 4930 1 10 . 1 1 40 40 ARG CA C 40 54.585 54.585 54.935 -0.350 17628 4931 1 10 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.922 0.580 17628 4932 1 10 . 1 1 40 40 ARG H H 40 7.905 7.905 7.612 0.293 17628 4933 1 10 . 1 1 41 41 HIS N N 41 120.013 120.013 113.884 6.129 17628 4934 1 10 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.724 0.131 17628 4935 1 10 . 1 1 41 41 HIS C C 41 173.290 173.290 172.510 0.780 17628 4936 1 10 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.653 0.553 17628 4937 1 10 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.726 -2.537 17628 4938 1 10 . 1 1 41 41 HIS H H 41 8.512 8.512 8.038 0.474 17628 4939 1 10 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.550 0.090 17628 4940 1 10 . 1 1 42 42 PRO C C 42 175.777 175.777 175.878 -0.101 17628 4941 1 10 . 1 1 42 42 PRO CA C 42 63.520 63.520 63.052 0.468 17628 4942 1 10 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.045 0.448 17628 4943 1 10 . 1 1 43 43 GLN N N 43 120.474 120.474 124.350 -3.876 17628 4944 1 10 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.416 0.181 17628 4945 1 10 . 1 1 43 43 GLN C C 43 173.963 173.963 174.472 -0.509 17628 4946 1 10 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.807 -0.323 17628 4947 1 10 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.856 -0.293 17628 4948 1 10 . 1 1 43 43 GLN H H 43 8.524 8.524 8.073 0.451 17628 4949 1 10 . 1 1 44 44 GLU N N 44 122.323 122.323 125.569 -3.246 17628 4950 1 10 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.370 0.717 17628 4951 1 10 . 1 1 44 44 GLU C C 44 175.650 175.650 175.725 -0.075 17628 4952 1 10 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.253 -0.818 17628 4953 1 10 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.129 2.409 17628 4954 1 10 . 1 1 44 44 GLU H H 44 8.751 8.751 8.761 -0.010 17628 4955 1 10 . 1 1 45 45 HIS N N 45 122.818 122.818 125.282 -2.464 17628 4956 1 10 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.002 0.387 17628 4957 1 10 . 1 1 45 45 HIS C C 45 174.918 174.918 174.192 0.726 17628 4958 1 10 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.538 -1.380 17628 4959 1 10 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.401 1.989 17628 4960 1 10 . 1 1 45 45 HIS H H 45 9.202 9.202 8.654 0.548 17628 4961 1 10 . 1 1 46 46 ARG N N 46 122.260 122.260 122.457 -0.197 17628 4962 1 10 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.100 0.117 17628 4963 1 10 . 1 1 46 46 ARG C C 46 176.255 176.255 175.345 0.910 17628 4964 1 10 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.431 0.413 17628 4965 1 10 . 1 1 46 46 ARG CB C 46 32.393 32.393 33.565 -1.172 17628 4966 1 10 . 1 1 46 46 ARG H H 46 8.847 8.847 8.631 0.216 17628 4967 1 10 . 1 1 47 47 GLY N N 47 114.135 114.135 107.495 6.640 17628 4968 1 10 . 1 1 47 47 GLY C C 47 171.175 171.175 172.392 -1.217 17628 4969 1 10 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.714 1.958 17628 4970 1 10 . 1 1 47 47 GLY H H 47 8.210 8.210 8.578 -0.368 17628 4971 1 10 . 1 1 48 48 CYS N N 48 118.698 118.698 120.673 -1.975 17628 4972 1 10 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.734 -0.542 17628 4973 1 10 . 1 1 48 48 CYS C C 48 173.522 173.522 176.972 -3.450 17628 4974 1 10 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.207 2.393 17628 4975 1 10 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.108 16.825 17628 4976 1 10 . 1 1 48 48 CYS H H 48 8.322 8.322 8.460 -0.138 17628 4977 1 10 . 1 1 49 49 GLY N N 49 112.213 112.213 110.787 1.426 17628 4978 1 10 . 1 1 49 49 GLY C C 49 170.413 170.413 174.451 -4.038 17628 4979 1 10 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.526 -2.422 17628 4980 1 10 . 1 1 49 49 GLY H H 49 8.679 8.679 9.083 -0.404 17628 4981 1 10 . 1 1 50 50 ASN N N 50 115.420 115.420 116.623 -1.203 17628 4982 1 10 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.192 -0.164 17628 4983 1 10 . 1 1 50 50 ASN C C 50 173.574 173.574 173.976 -0.402 17628 4984 1 10 . 1 1 50 50 ASN CA C 50 54.381 54.381 56.093 -1.712 17628 4985 1 10 . 1 1 50 50 ASN CB C 50 42.721 42.721 37.722 4.999 17628 4986 1 10 . 1 1 50 50 ASN H H 50 8.103 8.103 8.281 -0.178 17628 4987 1 10 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.505 0.150 17628 4988 1 10 . 1 1 51 51 LEU C C 51 176.323 176.323 176.387 -0.064 17628 4989 1 10 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.168 0.231 17628 4990 1 10 . 1 1 51 51 LEU CB C 51 45.606 45.606 42.001 3.605 17628 4991 1 10 . 1 1 52 52 HIS N N 52 115.835 115.835 121.447 -5.612 17628 4992 1 10 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.734 0.253 17628 4993 1 10 . 1 1 52 52 HIS C C 52 176.442 176.442 175.562 0.880 17628 4994 1 10 . 1 1 52 52 HIS CA C 52 55.983 55.983 56.096 -0.113 17628 4995 1 10 . 1 1 52 52 HIS CB C 52 26.270 26.270 30.556 -4.286 17628 4996 1 10 . 1 1 52 52 HIS H H 52 8.904 8.904 8.325 0.579 17628 4997 1 10 . 1 1 53 53 ARG N N 53 124.169 124.169 126.994 -2.825 17628 4998 1 10 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.353 -1.033 17628 4999 1 10 . 1 1 53 53 ARG C C 53 177.862 177.862 177.517 0.345 17628 5000 1 10 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.738 -0.380 17628 5001 1 10 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.168 -0.514 17628 5002 1 10 . 1 1 53 53 ARG H H 53 8.876 8.876 8.676 0.200 17628 5003 1 10 . 1 1 54 54 GLU N N 54 118.465 118.465 119.834 -1.369 17628 5004 1 10 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.167 -0.134 17628 5005 1 10 . 1 1 54 54 GLU C C 54 177.704 177.704 177.784 -0.080 17628 5006 1 10 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.884 -0.141 17628 5007 1 10 . 1 1 54 54 GLU CB C 54 26.944 26.944 29.306 -2.362 17628 5008 1 10 . 1 1 54 54 GLU H H 54 9.759 9.759 8.669 1.090 17628 5009 1 10 . 1 1 55 55 LEU N N 55 120.238 120.238 117.452 2.786 17628 5010 1 10 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.383 -0.327 17628 5011 1 10 . 1 1 55 55 LEU C C 55 177.601 177.601 175.739 1.862 17628 5012 1 10 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.239 0.643 17628 5013 1 10 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.732 -0.507 17628 5014 1 10 . 1 1 55 55 LEU H H 55 7.351 7.351 7.554 -0.203 17628 5015 1 10 . 1 1 56 56 CYS N N 56 115.234 115.234 116.851 -1.617 17628 5016 1 10 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.417 -0.156 17628 5017 1 10 . 1 1 56 56 CYS C C 56 175.060 175.060 174.373 0.687 17628 5018 1 10 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.651 -1.768 17628 5019 1 10 . 1 1 56 56 CYS CB C 56 38.516 38.516 26.433 12.083 17628 5020 1 10 . 1 1 56 56 CYS H H 56 7.640 7.640 7.425 0.215 17628 5021 1 10 . 1 1 57 57 ARG N N 57 119.272 119.272 120.847 -1.575 17628 5022 1 10 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.337 0.147 17628 5023 1 10 . 1 1 57 57 ARG C C 57 176.114 176.114 176.465 -0.351 17628 5024 1 10 . 1 1 57 57 ARG CA C 57 55.323 55.323 54.947 0.377 17628 5025 1 10 . 1 1 57 57 ARG CB C 57 31.650 31.650 30.950 0.700 17628 5026 1 10 . 1 1 57 57 ARG H H 57 7.626 7.626 7.993 -0.367 17628 5027 1 10 . 1 1 58 58 GLY N N 58 108.813 108.813 108.951 -0.138 17628 5028 1 10 . 1 1 58 58 GLY C C 58 173.663 173.663 173.742 -0.079 17628 5029 1 10 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.257 0.100 17628 5030 1 10 . 1 1 58 58 GLY H H 58 8.139 8.139 8.184 -0.045 17628 5031 1 10 . 1 1 59 59 ARG N N 59 121.042 121.042 121.809 -0.767 17628 5032 1 10 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.671 0.085 17628 5033 1 10 . 1 1 59 59 ARG C C 59 174.784 174.784 173.934 0.850 17628 5034 1 10 . 1 1 59 59 ARG CA C 59 53.834 53.834 52.516 1.318 17628 5035 1 10 . 1 1 59 59 ARG CB C 59 30.716 30.716 32.070 -1.354 17628 5036 1 10 . 1 1 59 59 ARG H H 59 8.216 8.216 8.207 0.009 17628 5037 1 10 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.266 0.208 17628 5038 1 10 . 1 1 60 60 PRO C C 60 176.726 176.726 175.749 0.977 17628 5039 1 10 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.687 0.162 17628 5040 1 10 . 1 1 60 60 PRO CB C 60 31.909 31.909 31.626 0.283 17628 5041 1 10 . 1 1 61 61 THR N N 61 110.945 110.945 117.798 -6.853 17628 5042 1 10 . 1 1 61 61 THR HA H 61 4.426 4.426 4.122 0.304 17628 5043 1 10 . 1 1 61 61 THR C C 61 174.238 174.238 174.957 -0.719 17628 5044 1 10 . 1 1 61 61 THR CA C 61 61.219 61.219 62.951 -1.732 17628 5045 1 10 . 1 1 61 61 THR CB C 61 70.449 70.449 70.017 0.432 17628 5046 1 10 . 1 1 61 61 THR H H 61 7.940 7.940 8.027 -0.087 17628 5047 1 10 . 1 1 62 62 GLU N N 62 119.936 119.936 121.491 -1.555 17628 5048 1 10 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.289 -0.119 17628 5049 1 10 . 1 1 62 62 GLU C C 62 175.889 175.889 176.598 -0.709 17628 5050 1 10 . 1 1 62 62 GLU CA C 62 57.090 57.090 56.160 0.930 17628 5051 1 10 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.838 0.271 17628 5052 1 10 . 1 1 62 62 GLU H H 62 8.342 8.342 8.256 0.086 17628 5053 1 10 . 1 1 63 63 PHE N N 63 117.934 117.934 113.169 4.765 17628 5054 1 10 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.193 0.406 17628 5055 1 10 . 1 1 63 63 PHE C C 63 175.367 175.367 174.117 1.250 17628 5056 1 10 . 1 1 63 63 PHE CA C 63 58.150 58.150 58.516 -0.366 17628 5057 1 10 . 1 1 63 63 PHE CB C 63 39.511 39.511 36.764 2.747 17628 5058 1 10 . 1 1 63 63 PHE H H 63 8.137 8.137 8.057 0.080 17628 5059 1 10 . 1 1 64 64 VAL N N 64 120.294 120.294 120.213 0.081 17628 5060 1 10 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.743 -0.360 17628 5061 1 10 . 1 1 64 64 VAL C C 64 174.649 174.649 175.063 -0.414 17628 5062 1 10 . 1 1 64 64 VAL CA C 64 62.287 62.287 59.851 2.436 17628 5063 1 10 . 1 1 64 64 VAL CB C 64 33.405 33.405 34.274 -0.869 17628 5064 1 10 . 1 1 64 64 VAL H H 64 7.792 7.792 7.340 0.452 17628 5065 1 10 . 1 1 65 65 ASN N N 65 121.166 121.166 128.625 -7.459 17628 5066 1 10 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.860 0.037 17628 5067 1 10 . 1 1 65 65 ASN C C 65 173.716 173.716 174.603 -0.887 17628 5068 1 10 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.385 1.523 17628 5069 1 10 . 1 1 65 65 ASN CB C 65 40.357 40.357 37.128 3.229 17628 5070 1 10 . 1 1 65 65 ASN H H 65 8.455 8.455 8.518 -0.063 17628 5071 1 10 . 1 1 66 66 HIS N N 66 121.303 121.303 121.623 -0.320 17628 5072 1 10 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.596 -0.545 17628 5073 1 10 . 1 1 66 66 HIS C C 66 172.730 172.730 174.742 -2.012 17628 5074 1 10 . 1 1 66 66 HIS CA C 66 55.764 55.764 52.875 2.889 17628 5075 1 10 . 1 1 66 66 HIS CB C 66 31.856 31.856 27.885 3.971 17628 5076 1 10 . 1 1 66 66 HIS H H 66 8.128 8.128 7.642 0.486 17628 5077 1 10 . 1 1 67 67 TYR N N 67 125.626 125.626 126.107 -0.481 17628 5078 1 10 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.672 0.265 17628 5079 1 10 . 1 1 67 67 TYR C C 67 174.178 174.178 173.613 0.565 17628 5080 1 10 . 1 1 67 67 TYR CA C 67 57.181 57.181 56.825 0.356 17628 5081 1 10 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.246 0.901 17628 5082 1 10 . 1 1 67 67 TYR H H 67 9.065 9.065 8.473 0.592 17628 5083 1 10 . 1 1 68 68 CYS N N 68 123.801 123.801 122.622 1.179 17628 5084 1 10 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.361 0.438 17628 5085 1 10 . 1 1 68 68 CYS C C 68 171.347 171.347 173.671 -2.324 17628 5086 1 10 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.561 -4.666 17628 5087 1 10 . 1 1 68 68 CYS CB C 68 45.198 45.198 29.023 16.175 17628 5088 1 10 . 1 1 68 68 CYS H H 68 7.902 7.902 7.567 0.335 17628 5089 1 10 . 1 1 69 69 CYS N N 69 115.715 115.715 122.479 -6.764 17628 5090 1 10 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.623 0.159 17628 5091 1 10 . 1 1 69 69 CYS C C 69 173.552 173.552 174.078 -0.526 17628 5092 1 10 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.388 -3.392 17628 5093 1 10 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.972 13.928 17628 5094 1 10 . 1 1 69 69 CYS H H 69 8.843 8.843 8.921 -0.078 17628 5095 1 10 . 1 1 70 70 ASP N N 70 120.487 120.487 121.565 -1.078 17628 5096 1 10 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.738 0.426 17628 5097 1 10 . 1 1 70 70 ASP C C 70 174.507 174.507 174.213 0.294 17628 5098 1 10 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.443 0.384 17628 5099 1 10 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.063 1.418 17628 5100 1 10 . 1 1 70 70 ASP H H 70 8.531 8.531 8.715 -0.184 17628 5101 1 10 . 1 1 71 71 SER N N 71 113.179 113.179 115.199 -2.020 17628 5102 1 10 . 1 1 71 71 SER HA H 71 4.896 4.896 4.789 0.107 17628 5103 1 10 . 1 1 71 71 SER C C 71 173.387 173.387 173.466 -0.079 17628 5104 1 10 . 1 1 71 71 SER CA C 71 57.709 57.709 57.366 0.343 17628 5105 1 10 . 1 1 71 71 SER CB C 71 66.587 66.587 66.298 0.289 17628 5106 1 10 . 1 1 71 71 SER H H 71 7.641 7.641 7.571 0.070 17628 5107 1 10 . 1 1 72 72 HIS N N 72 119.348 119.348 120.803 -1.455 17628 5108 1 10 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.538 -0.000 17628 5109 1 10 . 1 1 72 72 HIS C C 72 176.173 176.173 176.199 -0.026 17628 5110 1 10 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.158 2.576 17628 5111 1 10 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.980 1.796 17628 5112 1 10 . 1 1 72 72 HIS H H 72 8.308 8.308 8.682 -0.374 17628 5113 1 10 . 1 1 73 73 LEU N N 73 123.124 123.124 120.276 2.848 17628 5114 1 10 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.901 -0.133 17628 5115 1 10 . 1 1 73 73 LEU C C 73 178.572 178.572 175.743 2.829 17628 5116 1 10 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.288 1.314 17628 5117 1 10 . 1 1 73 73 LEU CB C 73 40.002 40.002 38.775 1.227 17628 5118 1 10 . 1 1 73 73 LEU H H 73 9.769 9.769 8.863 0.906 17628 5119 1 10 . 1 1 74 74 CYS N N 74 116.789 116.789 119.204 -2.415 17628 5120 1 10 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.485 -0.063 17628 5121 1 10 . 1 1 74 74 CYS C C 74 174.644 174.644 175.793 -1.149 17628 5122 1 10 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.132 -0.572 17628 5123 1 10 . 1 1 74 74 CYS CB C 74 44.268 44.268 29.252 15.016 17628 5124 1 10 . 1 1 74 74 CYS H H 74 8.488 8.488 8.389 0.099 17628 5125 1 10 . 1 1 75 75 ASN N N 75 118.193 118.193 118.260 -0.067 17628 5126 1 10 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.590 -0.172 17628 5127 1 10 . 1 1 75 75 ASN C C 75 175.216 175.216 175.264 -0.048 17628 5128 1 10 . 1 1 75 75 ASN CA C 75 52.578 52.578 54.173 -1.595 17628 5129 1 10 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.975 -0.362 17628 5130 1 10 . 1 1 75 75 ASN H H 75 8.432 8.432 7.899 0.533 17628 5131 1 10 . 1 1 76 76 HIS N N 76 120.329 120.329 117.976 2.353 17628 5132 1 10 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.583 -0.416 17628 5133 1 10 . 1 1 76 76 HIS C C 76 174.631 174.631 173.618 1.013 17628 5134 1 10 . 1 1 76 76 HIS CA C 76 59.328 59.328 56.490 2.838 17628 5135 1 10 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.063 0.645 17628 5136 1 10 . 1 1 76 76 HIS H H 76 7.768 7.768 8.523 -0.755 17628 5137 1 10 . 1 1 77 77 ASN N N 77 115.167 115.167 114.514 0.653 17628 5138 1 10 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.664 -0.106 17628 5139 1 10 . 1 1 77 77 ASN C C 77 174.522 174.522 173.339 1.183 17628 5140 1 10 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.989 -0.125 17628 5141 1 10 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.597 0.122 17628 5142 1 10 . 1 1 77 77 ASN H H 77 8.457 8.457 7.616 0.841 17628 5143 1 10 . 1 1 78 78 VAL N N 78 119.202 119.202 119.032 0.170 17628 5144 1 10 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.376 -0.533 17628 5145 1 10 . 1 1 78 78 VAL C C 78 174.709 174.709 174.042 0.667 17628 5146 1 10 . 1 1 78 78 VAL CA C 78 62.643 62.643 60.229 2.414 17628 5147 1 10 . 1 1 78 78 VAL CB C 78 33.309 33.309 35.939 -2.630 17628 5148 1 10 . 1 1 78 78 VAL H H 78 6.691 6.691 8.399 -1.708 17628 5149 1 10 . 1 1 79 79 SER HA H 79 4.846 4.846 4.759 0.087 17628 5150 1 10 . 1 1 79 79 SER C C 79 174.082 174.082 174.179 -0.097 17628 5151 1 10 . 1 1 79 79 SER CA C 79 56.222 56.222 57.239 -1.017 17628 5152 1 10 . 1 1 79 79 SER CB C 79 64.855 64.855 63.131 1.724 17628 5153 1 10 . 1 1 80 80 LEU N N 80 126.815 126.815 121.037 5.778 17628 5154 1 10 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.631 -0.271 17628 5155 1 10 . 1 1 80 80 LEU C C 80 176.897 176.897 177.444 -0.547 17628 5156 1 10 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.348 -0.048 17628 5157 1 10 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.278 0.393 17628 5158 1 10 . 1 1 80 80 LEU H H 80 9.623 9.623 8.436 1.187 17628 5159 1 10 . 1 1 81 81 VAL N N 81 117.921 117.921 120.794 -2.873 17628 5160 1 10 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.793 0.151 17628 5161 1 10 . 1 1 81 81 VAL C C 81 175.889 175.889 175.905 -0.016 17628 5162 1 10 . 1 1 81 81 VAL CA C 81 62.536 62.536 63.293 -0.757 17628 5163 1 10 . 1 1 81 81 VAL CB C 81 32.869 32.869 31.672 1.197 17628 5164 1 10 . 1 1 81 81 VAL H H 81 7.824 7.824 7.700 0.124 17628 5165 1 10 . 1 1 82 82 LEU N N 82 124.533 124.533 114.454 10.079 17628 5166 1 10 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.081 0.210 17628 5167 1 10 . 1 1 82 82 LEU C C 82 177.197 177.197 175.006 2.191 17628 5168 1 10 . 1 1 82 82 LEU CA C 82 55.131 55.131 55.486 -0.355 17628 5169 1 10 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.949 1.342 17628 5170 1 10 . 1 1 82 82 LEU H H 82 8.059 8.059 7.970 0.089 17628 5171 1 10 . 1 1 83 83 GLU N N 83 120.926 120.926 119.030 1.896 17628 5172 1 10 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.430 -0.248 17628 5173 1 10 . 1 1 83 83 GLU C C 83 175.897 175.897 174.564 1.333 17628 5174 1 10 . 1 1 83 83 GLU CA C 83 56.515 56.515 55.836 0.679 17628 5175 1 10 . 1 1 83 83 GLU CB C 83 30.167 30.167 30.652 -0.485 17628 5176 1 10 . 1 1 83 83 GLU H H 83 8.047 8.047 8.031 0.016 17628 5177 1 10 . 1 1 84 84 ALA N N 84 124.350 124.350 120.959 3.391 17628 5178 1 10 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.322 -0.018 17628 5179 1 10 . 1 1 84 84 ALA C C 84 177.704 177.704 175.837 1.867 17628 5180 1 10 . 1 1 84 84 ALA CA C 84 52.535 52.535 51.859 0.676 17628 5181 1 10 . 1 1 84 84 ALA CB C 84 19.334 19.334 19.847 -0.513 17628 5182 1 10 . 1 1 84 84 ALA H H 84 8.162 8.162 7.540 0.622 17628 5183 1 10 . 1 1 85 85 THR N N 85 112.934 112.934 119.725 -6.791 17628 5184 1 10 . 1 1 85 85 THR HA H 85 4.264 4.264 4.595 -0.331 17628 5185 1 10 . 1 1 85 85 THR C C 85 174.231 174.231 173.884 0.347 17628 5186 1 10 . 1 1 85 85 THR CA C 85 61.831 61.831 61.779 0.052 17628 5187 1 10 . 1 1 85 85 THR CB C 85 69.955 69.955 67.273 2.682 17628 5188 1 10 . 1 1 85 85 THR H H 85 7.981 7.981 8.410 -0.429 17628 5189 1 10 . 1 1 86 86 GLN N N 86 123.516 123.516 124.179 -0.663 17628 5190 1 10 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.745 -0.135 17628 5191 1 10 . 1 1 86 86 GLN C C 86 173.352 173.352 173.042 0.310 17628 5192 1 10 . 1 1 86 86 GLN CA C 86 53.606 53.606 52.555 1.051 17628 5193 1 10 . 1 1 86 86 GLN CB C 86 29.094 29.094 28.502 0.592 17628 5194 1 10 . 1 1 86 86 GLN H H 86 8.217 8.217 7.649 0.568 17628 5195 1 10 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.368 0.045 17628 5196 1 10 . 1 1 88 88 PRO C C 88 176.930 176.930 175.833 1.097 17628 5197 1 10 . 1 1 88 88 PRO CA C 88 63.105 63.105 63.126 -0.021 17628 5198 1 10 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.634 -0.474 17628 5199 1 10 . 1 1 89 89 SER N N 89 116.298 116.298 118.400 -2.102 17628 5200 1 10 . 1 1 89 89 SER HA H 89 4.419 4.419 4.906 -0.487 17628 5201 1 10 . 1 1 89 89 SER C C 89 174.469 174.469 172.586 1.883 17628 5202 1 10 . 1 1 89 89 SER CA C 89 58.378 58.378 57.546 0.832 17628 5203 1 10 . 1 1 89 89 SER CB C 89 63.995 63.995 64.205 -0.210 17628 5204 1 10 . 1 1 89 89 SER H H 89 8.358 8.358 8.778 -0.420 17628 5205 1 10 . 1 1 90 90 GLU N N 90 122.340 122.340 118.195 4.145 17628 5206 1 10 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.109 0.538 17628 5207 1 10 . 1 1 90 90 GLU C C 90 175.971 175.971 175.618 0.353 17628 5208 1 10 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.639 -1.289 17628 5209 1 10 . 1 1 90 90 GLU CB C 90 30.349 30.349 29.791 0.558 17628 5210 1 10 . 1 1 90 90 GLU H H 90 8.338 8.338 8.177 0.161 17628 5211 1 10 . 1 1 91 91 GLN N N 91 122.043 122.043 120.015 2.028 17628 5212 1 10 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.300 0.303 17628 5213 1 10 . 1 1 91 91 GLN C C 91 173.879 173.879 174.507 -0.628 17628 5214 1 10 . 1 1 91 91 GLN CA C 91 53.624 53.624 55.069 -1.445 17628 5215 1 10 . 1 1 91 91 GLN CB C 91 29.090 29.090 28.483 0.607 17628 5216 1 10 . 1 1 91 91 GLN H H 91 8.317 8.317 8.480 -0.163 17628 5217 1 10 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.640 -0.223 17628 5218 1 10 . 1 1 92 92 PRO C C 92 177.488 177.488 177.552 -0.064 17628 5219 1 10 . 1 1 92 92 PRO CA C 92 63.383 63.383 61.624 1.759 17628 5220 1 10 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.700 -0.547 17628 5221 1 10 . 1 1 93 93 GLY N N 93 109.201 109.201 106.227 2.974 17628 5222 1 10 . 1 1 93 93 GLY C C 93 174.619 174.619 174.007 0.612 17628 5223 1 10 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.402 -0.059 17628 5224 1 10 . 1 1 93 93 GLY H H 93 8.480 8.480 8.478 0.002 17628 5225 1 10 . 1 1 94 94 THR N N 94 112.828 112.828 111.915 0.913 17628 5226 1 10 . 1 1 94 94 THR HA H 94 4.356 4.356 3.993 0.363 17628 5227 1 10 . 1 1 94 94 THR C C 94 174.510 174.510 172.842 1.668 17628 5228 1 10 . 1 1 94 94 THR CA C 94 61.816 61.816 62.565 -0.749 17628 5229 1 10 . 1 1 94 94 THR CB C 94 69.913 69.913 68.251 1.662 17628 5230 1 10 . 1 1 94 94 THR H H 94 8.044 8.044 7.822 0.221 17628 5231 1 10 . 1 1 95 95 ASP N N 95 122.173 122.173 118.971 3.202 17628 5232 1 10 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.753 -0.147 17628 5233 1 10 . 1 1 95 95 ASP C C 95 176.584 176.584 176.436 0.148 17628 5234 1 10 . 1 1 95 95 ASP CA C 95 54.631 54.631 52.982 1.649 17628 5235 1 10 . 1 1 95 95 ASP CB C 95 41.067 41.067 41.645 -0.578 17628 5236 1 10 . 1 1 95 95 ASP H H 95 8.413 8.413 7.937 0.476 17628 5237 1 10 . 1 1 96 96 GLY N N 96 109.220 109.220 111.832 -2.612 17628 5238 1 10 . 1 1 96 96 GLY C C 96 173.454 173.454 173.567 -0.113 17628 5239 1 10 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.097 0.568 17628 5240 1 10 . 1 1 96 96 GLY H H 96 8.290 8.290 8.575 -0.285 17628 5241 1 11 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.628 -0.219 17628 5242 1 11 . 1 1 2 2 PRO C C 2 176.726 176.726 176.089 0.637 17628 5243 1 11 . 1 1 2 2 PRO CA C 2 63.021 63.021 63.411 -0.390 17628 5244 1 11 . 1 1 2 2 PRO CB C 2 32.135 32.135 32.103 0.031 17628 5245 1 11 . 1 1 3 3 VAL N N 3 120.494 120.494 117.398 3.096 17628 5246 1 11 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.168 -0.174 17628 5247 1 11 . 1 1 3 3 VAL C C 3 175.979 175.979 174.398 1.581 17628 5248 1 11 . 1 1 3 3 VAL CA C 3 62.467 62.467 61.786 0.681 17628 5249 1 11 . 1 1 3 3 VAL CB C 3 32.545 32.545 31.322 1.223 17628 5250 1 11 . 1 1 3 3 VAL H H 3 8.140 8.140 7.456 0.684 17628 5251 1 11 . 1 1 4 4 LYS N N 4 126.411 126.411 117.425 8.986 17628 5252 1 11 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.071 0.513 17628 5253 1 11 . 1 1 4 4 LYS C C 4 174.350 174.350 173.839 0.511 17628 5254 1 11 . 1 1 4 4 LYS CA C 4 54.055 54.055 56.766 -2.711 17628 5255 1 11 . 1 1 4 4 LYS CB C 4 32.579 32.579 30.601 1.978 17628 5256 1 11 . 1 1 4 4 LYS H H 4 8.276 8.276 7.303 0.973 17628 5257 1 11 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.542 -0.117 17628 5258 1 11 . 1 1 5 5 PRO C C 5 176.929 176.929 175.796 1.133 17628 5259 1 11 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.719 -0.524 17628 5260 1 11 . 1 1 5 5 PRO CB C 5 32.088 32.088 30.797 1.291 17628 5261 1 11 . 1 1 6 6 SER N N 6 115.564 115.564 113.932 1.632 17628 5262 1 11 . 1 1 6 6 SER HA H 6 4.379 4.379 4.211 0.168 17628 5263 1 11 . 1 1 6 6 SER C C 6 174.458 174.458 175.271 -0.813 17628 5264 1 11 . 1 1 6 6 SER CA C 6 58.418 58.418 58.687 -0.269 17628 5265 1 11 . 1 1 6 6 SER CB C 6 63.981 63.981 64.123 -0.142 17628 5266 1 11 . 1 1 6 6 SER H H 6 8.283 8.283 7.783 0.500 17628 5267 1 11 . 1 1 7 7 ARG N N 7 122.599 122.599 122.976 -0.377 17628 5268 1 11 . 1 1 7 7 ARG HA H 7 4.424 4.424 4.074 0.350 17628 5269 1 11 . 1 1 7 7 ARG C C 7 176.216 176.216 177.286 -1.070 17628 5270 1 11 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.938 -1.855 17628 5271 1 11 . 1 1 7 7 ARG CB C 7 31.142 31.142 29.092 2.050 17628 5272 1 11 . 1 1 7 7 ARG H H 7 8.321 8.321 7.937 0.384 17628 5273 1 11 . 1 1 8 8 GLY N N 8 110.092 110.092 109.872 0.220 17628 5274 1 11 . 1 1 8 8 GLY C C 8 171.536 171.536 172.957 -1.421 17628 5275 1 11 . 1 1 8 8 GLY CA C 8 44.474 44.474 45.094 -0.620 17628 5276 1 11 . 1 1 8 8 GLY H H 8 8.248 8.248 8.469 -0.221 17628 5277 1 11 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.471 -0.046 17628 5278 1 11 . 1 1 9 9 PRO C C 9 176.675 176.675 175.435 1.240 17628 5279 1 11 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.839 0.361 17628 5280 1 11 . 1 1 9 9 PRO CB C 9 32.242 32.242 31.448 0.794 17628 5281 1 11 . 1 1 10 10 LEU N N 10 120.335 120.335 126.468 -6.133 17628 5282 1 11 . 1 1 10 10 LEU HA H 10 4.515 4.515 5.032 -0.517 17628 5283 1 11 . 1 1 10 10 LEU C C 10 176.413 176.413 177.015 -0.602 17628 5284 1 11 . 1 1 10 10 LEU CA C 10 54.400 54.400 53.834 0.566 17628 5285 1 11 . 1 1 10 10 LEU CB C 10 43.946 43.946 41.866 2.080 17628 5286 1 11 . 1 1 10 10 LEU H H 10 8.018 8.018 8.369 -0.351 17628 5287 1 11 . 1 1 11 11 VAL N N 11 120.543 120.543 127.031 -6.488 17628 5288 1 11 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.280 0.175 17628 5289 1 11 . 1 1 11 11 VAL C C 11 174.141 174.141 175.678 -1.537 17628 5290 1 11 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.494 -1.226 17628 5291 1 11 . 1 1 11 11 VAL CB C 11 35.006 35.006 33.099 1.907 17628 5292 1 11 . 1 1 11 11 VAL H H 11 9.111 9.111 7.947 1.164 17628 5293 1 11 . 1 1 12 12 THR N N 12 120.707 120.707 123.540 -2.833 17628 5294 1 11 . 1 1 12 12 THR HA H 12 4.883 4.883 5.329 -0.446 17628 5295 1 11 . 1 1 12 12 THR C C 12 173.103 173.103 173.744 -0.641 17628 5296 1 11 . 1 1 12 12 THR CA C 12 62.760 62.760 63.097 -0.338 17628 5297 1 11 . 1 1 12 12 THR CB C 12 69.037 69.037 69.641 -0.604 17628 5298 1 11 . 1 1 12 12 THR H H 12 8.886 8.886 8.566 0.320 17628 5299 1 11 . 1 1 13 13 CYS N N 13 124.651 124.651 122.887 1.764 17628 5300 1 11 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.886 -0.004 17628 5301 1 11 . 1 1 13 13 CYS C C 13 174.463 174.463 173.510 0.953 17628 5302 1 11 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.155 -6.033 17628 5303 1 11 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.304 11.103 17628 5304 1 11 . 1 1 13 13 CYS H H 13 9.165 9.165 8.209 0.956 17628 5305 1 11 . 1 1 14 14 THR N N 14 121.496 121.496 118.286 3.210 17628 5306 1 11 . 1 1 14 14 THR HA H 14 4.001 4.001 4.326 -0.325 17628 5307 1 11 . 1 1 14 14 THR C C 14 172.453 172.453 174.165 -1.712 17628 5308 1 11 . 1 1 14 14 THR CA C 14 66.024 66.024 63.998 2.026 17628 5309 1 11 . 1 1 14 14 THR CB C 14 69.319 69.319 69.430 -0.111 17628 5310 1 11 . 1 1 14 14 THR H H 14 8.931 8.931 8.683 0.248 17628 5311 1 11 . 1 1 15 15 CYS N N 15 129.296 129.296 125.529 3.767 17628 5312 1 11 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.784 -0.750 17628 5313 1 11 . 1 1 15 15 CYS C C 15 174.111 174.111 174.217 -0.106 17628 5314 1 11 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.589 -0.582 17628 5315 1 11 . 1 1 15 15 CYS CB C 15 37.153 37.153 31.347 5.806 17628 5316 1 11 . 1 1 15 15 CYS H H 15 8.227 8.227 8.670 -0.443 17628 5317 1 11 . 1 1 16 16 GLU N N 16 127.625 127.625 125.369 2.256 17628 5318 1 11 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.460 0.053 17628 5319 1 11 . 1 1 16 16 GLU C C 16 173.185 173.185 175.285 -2.100 17628 5320 1 11 . 1 1 16 16 GLU CA C 16 56.082 56.082 56.057 0.025 17628 5321 1 11 . 1 1 16 16 GLU CB C 16 32.050 32.050 32.176 -0.126 17628 5322 1 11 . 1 1 16 16 GLU H H 16 9.106 9.106 8.905 0.201 17628 5323 1 11 . 1 1 17 17 SER N N 17 123.384 123.384 117.682 5.702 17628 5324 1 11 . 1 1 17 17 SER HA H 17 4.503 4.503 3.933 0.570 17628 5325 1 11 . 1 1 17 17 SER C C 17 172.946 172.946 172.135 0.811 17628 5326 1 11 . 1 1 17 17 SER CA C 17 57.341 57.341 59.932 -2.591 17628 5327 1 11 . 1 1 17 17 SER CB C 17 63.379 63.379 61.583 1.796 17628 5328 1 11 . 1 1 17 17 SER H H 17 7.770 7.770 8.277 -0.507 17628 5329 1 11 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.489 -0.137 17628 5330 1 11 . 1 1 18 18 PRO C C 18 176.600 176.600 176.590 0.010 17628 5331 1 11 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.844 0.583 17628 5332 1 11 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.043 -0.036 17628 5333 1 11 . 1 1 19 19 HIS N N 19 113.110 113.110 114.607 -1.497 17628 5334 1 11 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.790 -0.112 17628 5335 1 11 . 1 1 19 19 HIS C C 19 175.396 175.396 174.391 1.005 17628 5336 1 11 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.247 -0.218 17628 5337 1 11 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.276 -0.868 17628 5338 1 11 . 1 1 19 19 HIS H H 19 7.898 7.898 7.544 0.354 17628 5339 1 11 . 1 1 20 20 CYS N N 20 119.283 119.283 118.098 1.185 17628 5340 1 11 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.590 -0.226 17628 5341 1 11 . 1 1 20 20 CYS C C 20 174.956 174.956 174.991 -0.035 17628 5342 1 11 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.230 0.534 17628 5343 1 11 . 1 1 20 20 CYS CB C 20 42.002 42.002 28.185 13.817 17628 5344 1 11 . 1 1 20 20 CYS H H 20 7.305 7.305 7.724 -0.419 17628 5345 1 11 . 1 1 21 21 LYS N N 21 124.199 124.199 124.971 -0.772 17628 5346 1 11 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.261 0.142 17628 5347 1 11 . 1 1 21 21 LYS C C 21 175.650 175.650 175.912 -0.262 17628 5348 1 11 . 1 1 21 21 LYS CA C 21 56.112 56.112 55.554 0.558 17628 5349 1 11 . 1 1 21 21 LYS CB C 21 32.166 32.166 30.778 1.388 17628 5350 1 11 . 1 1 21 21 LYS H H 21 8.851 8.851 8.840 0.011 17628 5351 1 11 . 1 1 22 22 GLY N N 22 108.943 108.943 106.945 1.998 17628 5352 1 11 . 1 1 22 22 GLY C C 22 171.467 171.467 172.890 -1.423 17628 5353 1 11 . 1 1 22 22 GLY CA C 22 44.437 44.437 44.262 0.175 17628 5354 1 11 . 1 1 22 22 GLY H H 22 7.768 7.768 7.431 0.337 17628 5355 1 11 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.493 0.321 17628 5356 1 11 . 1 1 23 23 PRO C C 23 177.578 177.578 176.055 1.523 17628 5357 1 11 . 1 1 23 23 PRO CA C 23 64.210 64.210 63.966 0.244 17628 5358 1 11 . 1 1 23 23 PRO CB C 23 32.385 32.385 31.642 0.743 17628 5359 1 11 . 1 1 24 24 THR N N 24 108.931 108.931 108.513 0.418 17628 5360 1 11 . 1 1 24 24 THR HA H 24 5.358 5.358 5.008 0.350 17628 5361 1 11 . 1 1 24 24 THR C C 24 173.043 173.043 173.264 -0.221 17628 5362 1 11 . 1 1 24 24 THR CA C 24 59.041 59.041 60.153 -1.112 17628 5363 1 11 . 1 1 24 24 THR CB C 24 73.255 73.255 71.919 1.336 17628 5364 1 11 . 1 1 24 24 THR H H 24 7.599 7.599 7.763 -0.164 17628 5365 1 11 . 1 1 25 25 CYS N N 25 115.152 115.152 118.248 -3.096 17628 5366 1 11 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.829 0.037 17628 5367 1 11 . 1 1 25 25 CYS C C 25 171.952 171.952 173.256 -1.304 17628 5368 1 11 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.817 -4.330 17628 5369 1 11 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.873 15.512 17628 5370 1 11 . 1 1 25 25 CYS H H 25 8.872 8.872 8.455 0.417 17628 5371 1 11 . 1 1 26 26 ARG N N 26 119.551 119.551 124.080 -4.529 17628 5372 1 11 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.529 1.048 17628 5373 1 11 . 1 1 26 26 ARG C C 26 176.621 176.621 175.664 0.957 17628 5374 1 11 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.306 -2.181 17628 5375 1 11 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.692 1.895 17628 5376 1 11 . 1 1 26 26 ARG H H 26 8.481 8.481 8.855 -0.374 17628 5377 1 11 . 1 1 27 27 GLY N N 27 111.192 111.192 112.910 -1.718 17628 5378 1 11 . 1 1 27 27 GLY C C 27 170.250 170.250 173.045 -2.795 17628 5379 1 11 . 1 1 27 27 GLY CA C 27 45.133 45.133 44.604 0.529 17628 5380 1 11 . 1 1 27 27 GLY H H 27 8.866 8.866 8.583 0.283 17628 5381 1 11 . 1 1 28 28 ALA N N 28 123.763 123.763 123.075 0.688 17628 5382 1 11 . 1 1 28 28 ALA HA H 28 4.413 4.413 5.069 -0.656 17628 5383 1 11 . 1 1 28 28 ALA C C 28 177.525 177.525 176.269 1.256 17628 5384 1 11 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.194 3.523 17628 5385 1 11 . 1 1 28 28 ALA CB C 28 19.214 19.214 21.009 -1.795 17628 5386 1 11 . 1 1 28 28 ALA H H 28 7.732 7.732 7.583 0.149 17628 5387 1 11 . 1 1 29 29 TRP N N 29 112.576 112.576 113.545 -0.969 17628 5388 1 11 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.806 -0.166 17628 5389 1 11 . 1 1 29 29 TRP C C 29 172.901 172.901 173.629 -0.728 17628 5390 1 11 . 1 1 29 29 TRP CA C 29 57.762 57.762 54.218 3.544 17628 5391 1 11 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.566 0.041 17628 5392 1 11 . 1 1 29 29 TRP H H 29 7.830 7.830 7.215 0.615 17628 5393 1 11 . 1 1 30 30 CYS N N 30 116.421 116.421 121.475 -5.054 17628 5394 1 11 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.571 0.323 17628 5395 1 11 . 1 1 30 30 CYS C C 30 176.719 176.719 175.470 1.249 17628 5396 1 11 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.825 -7.128 17628 5397 1 11 . 1 1 30 30 CYS CB C 30 38.255 38.255 26.776 11.479 17628 5398 1 11 . 1 1 30 30 CYS H H 30 9.319 9.319 8.800 0.519 17628 5399 1 11 . 1 1 31 31 THR N N 31 110.073 110.073 118.546 -8.473 17628 5400 1 11 . 1 1 31 31 THR HA H 31 5.917 5.917 5.786 0.131 17628 5401 1 11 . 1 1 31 31 THR C C 31 177.249 177.249 174.131 3.118 17628 5402 1 11 . 1 1 31 31 THR CA C 31 59.845 59.845 60.102 -0.258 17628 5403 1 11 . 1 1 31 31 THR CB C 31 72.586 72.586 71.219 1.367 17628 5404 1 11 . 1 1 31 31 THR H H 31 8.936 8.936 9.257 -0.321 17628 5405 1 11 . 1 1 32 32 VAL N N 32 122.685 122.685 119.756 2.929 17628 5406 1 11 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.375 -0.613 17628 5407 1 11 . 1 1 32 32 VAL C C 32 173.813 173.813 174.182 -0.369 17628 5408 1 11 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.010 4.710 17628 5409 1 11 . 1 1 32 32 VAL CB C 32 34.872 34.872 35.180 -0.308 17628 5410 1 11 . 1 1 32 32 VAL H H 32 8.841 8.841 9.325 -0.484 17628 5411 1 11 . 1 1 33 33 VAL N N 33 124.915 124.915 118.550 6.365 17628 5412 1 11 . 1 1 33 33 VAL HA H 33 4.787 4.787 5.169 -0.382 17628 5413 1 11 . 1 1 33 33 VAL C C 33 174.014 174.014 174.489 -0.475 17628 5414 1 11 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.550 -0.088 17628 5415 1 11 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.771 0.917 17628 5416 1 11 . 1 1 33 33 VAL H H 33 9.047 9.047 9.067 -0.020 17628 5417 1 11 . 1 1 34 34 LEU N N 34 127.771 127.771 128.353 -0.582 17628 5418 1 11 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.886 0.003 17628 5419 1 11 . 1 1 34 34 LEU C C 34 175.433 175.433 175.903 -0.470 17628 5420 1 11 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.879 0.136 17628 5421 1 11 . 1 1 34 34 LEU CB C 34 44.427 44.427 43.419 1.008 17628 5422 1 11 . 1 1 34 34 LEU H H 34 8.450 8.450 8.093 0.357 17628 5423 1 11 . 1 1 35 35 VAL N N 35 125.904 125.904 127.647 -1.743 17628 5424 1 11 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.099 0.277 17628 5425 1 11 . 1 1 35 35 VAL C C 35 175.098 175.098 174.874 0.224 17628 5426 1 11 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.131 0.170 17628 5427 1 11 . 1 1 35 35 VAL CB C 35 34.190 34.190 31.956 2.234 17628 5428 1 11 . 1 1 35 35 VAL H H 35 8.868 8.868 8.844 0.024 17628 5429 1 11 . 1 1 36 36 ARG N N 36 127.282 127.282 129.166 -1.884 17628 5430 1 11 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.127 0.389 17628 5431 1 11 . 1 1 36 36 ARG C C 36 175.068 175.068 175.559 -0.491 17628 5432 1 11 . 1 1 36 36 ARG CA C 36 55.524 55.524 56.333 -0.809 17628 5433 1 11 . 1 1 36 36 ARG CB C 36 31.603 31.603 29.956 1.647 17628 5434 1 11 . 1 1 36 36 ARG H H 36 8.665 8.665 8.655 0.010 17628 5435 1 11 . 1 1 37 37 GLU N N 37 124.628 124.628 123.372 1.256 17628 5436 1 11 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.028 0.370 17628 5437 1 11 . 1 1 37 37 GLU C C 37 175.762 175.762 174.993 0.769 17628 5438 1 11 . 1 1 37 37 GLU CA C 37 55.477 55.477 57.724 -2.247 17628 5439 1 11 . 1 1 37 37 GLU CB C 37 31.724 31.724 29.337 2.387 17628 5440 1 11 . 1 1 37 37 GLU H H 37 8.458 8.458 8.763 -0.305 17628 5441 1 11 . 1 1 38 38 GLU N N 38 123.236 123.236 124.913 -1.677 17628 5442 1 11 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.223 -0.195 17628 5443 1 11 . 1 1 38 38 GLU C C 38 177.354 177.354 176.867 0.487 17628 5444 1 11 . 1 1 38 38 GLU CA C 38 57.924 57.924 55.859 2.065 17628 5445 1 11 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.902 0.368 17628 5446 1 11 . 1 1 38 38 GLU H H 38 8.628 8.628 7.837 0.791 17628 5447 1 11 . 1 1 39 39 GLY N N 39 111.764 111.764 116.851 -5.087 17628 5448 1 11 . 1 1 39 39 GLY C C 39 173.954 173.954 174.643 -0.689 17628 5449 1 11 . 1 1 39 39 GLY CA C 39 45.592 45.592 46.585 -0.993 17628 5450 1 11 . 1 1 39 39 GLY H H 39 8.670 8.670 8.436 0.234 17628 5451 1 11 . 1 1 40 40 ARG N N 40 118.313 118.313 121.241 -2.928 17628 5452 1 11 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.561 0.028 17628 5453 1 11 . 1 1 40 40 ARG C C 40 175.874 175.874 174.747 1.127 17628 5454 1 11 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.407 -1.822 17628 5455 1 11 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.990 0.512 17628 5456 1 11 . 1 1 40 40 ARG H H 40 7.905 7.905 7.874 0.031 17628 5457 1 11 . 1 1 41 41 HIS N N 41 120.013 120.013 115.238 4.775 17628 5458 1 11 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.981 -0.126 17628 5459 1 11 . 1 1 41 41 HIS C C 41 173.290 173.290 172.496 0.794 17628 5460 1 11 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.037 1.169 17628 5461 1 11 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.342 -2.153 17628 5462 1 11 . 1 1 41 41 HIS H H 41 8.512 8.512 7.867 0.645 17628 5463 1 11 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.830 -0.190 17628 5464 1 11 . 1 1 42 42 PRO C C 42 175.777 175.777 176.144 -0.367 17628 5465 1 11 . 1 1 42 42 PRO CA C 42 63.520 63.520 63.002 0.518 17628 5466 1 11 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.091 0.402 17628 5467 1 11 . 1 1 43 43 GLN N N 43 120.474 120.474 124.226 -3.752 17628 5468 1 11 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.502 0.095 17628 5469 1 11 . 1 1 43 43 GLN C C 43 173.963 173.963 174.887 -0.924 17628 5470 1 11 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.371 0.113 17628 5471 1 11 . 1 1 43 43 GLN CB C 43 32.563 32.563 31.786 0.777 17628 5472 1 11 . 1 1 43 43 GLN H H 43 8.524 8.524 8.661 -0.137 17628 5473 1 11 . 1 1 44 44 GLU N N 44 122.323 122.323 125.887 -3.564 17628 5474 1 11 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.304 0.783 17628 5475 1 11 . 1 1 44 44 GLU C C 44 175.650 175.650 175.693 -0.043 17628 5476 1 11 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.386 -0.951 17628 5477 1 11 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.025 2.513 17628 5478 1 11 . 1 1 44 44 GLU H H 44 8.751 8.751 8.911 -0.160 17628 5479 1 11 . 1 1 45 45 HIS N N 45 122.818 122.818 125.535 -2.717 17628 5480 1 11 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.090 0.299 17628 5481 1 11 . 1 1 45 45 HIS C C 45 174.918 174.918 174.395 0.523 17628 5482 1 11 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.590 -1.433 17628 5483 1 11 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.373 2.017 17628 5484 1 11 . 1 1 45 45 HIS H H 45 9.202 9.202 8.707 0.495 17628 5485 1 11 . 1 1 46 46 ARG N N 46 122.260 122.260 122.443 -0.183 17628 5486 1 11 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.176 0.041 17628 5487 1 11 . 1 1 46 46 ARG C C 46 176.255 176.255 174.791 1.464 17628 5488 1 11 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.252 0.592 17628 5489 1 11 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.231 -1.838 17628 5490 1 11 . 1 1 46 46 ARG H H 46 8.847 8.847 7.959 0.888 17628 5491 1 11 . 1 1 47 47 GLY N N 47 114.135 114.135 108.578 5.557 17628 5492 1 11 . 1 1 47 47 GLY C C 47 171.175 171.175 172.284 -1.109 17628 5493 1 11 . 1 1 47 47 GLY CA C 47 47.672 47.672 46.085 1.587 17628 5494 1 11 . 1 1 47 47 GLY H H 47 8.210 8.210 8.680 -0.470 17628 5495 1 11 . 1 1 48 48 CYS N N 48 118.698 118.698 121.168 -2.470 17628 5496 1 11 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.832 -0.640 17628 5497 1 11 . 1 1 48 48 CYS C C 48 173.522 173.522 175.431 -1.909 17628 5498 1 11 . 1 1 48 48 CYS CA C 48 58.600 58.600 55.485 3.115 17628 5499 1 11 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.749 16.184 17628 5500 1 11 . 1 1 48 48 CYS H H 48 8.322 8.322 8.328 -0.006 17628 5501 1 11 . 1 1 49 49 GLY N N 49 112.213 112.213 112.244 -0.031 17628 5502 1 11 . 1 1 49 49 GLY C C 49 170.413 170.413 173.182 -2.769 17628 5503 1 11 . 1 1 49 49 GLY CA C 49 43.104 43.104 44.161 -1.057 17628 5504 1 11 . 1 1 49 49 GLY H H 49 8.679 8.679 8.587 0.092 17628 5505 1 11 . 1 1 50 50 ASN N N 50 115.420 115.420 123.569 -8.149 17628 5506 1 11 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.551 -0.523 17628 5507 1 11 . 1 1 50 50 ASN C C 50 173.574 173.574 175.336 -1.762 17628 5508 1 11 . 1 1 50 50 ASN CA C 50 54.381 54.381 54.019 0.362 17628 5509 1 11 . 1 1 50 50 ASN CB C 50 42.721 42.721 39.167 3.554 17628 5510 1 11 . 1 1 50 50 ASN H H 50 8.103 8.103 8.554 -0.451 17628 5511 1 11 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.481 0.174 17628 5512 1 11 . 1 1 51 51 LEU C C 51 176.323 176.323 175.735 0.588 17628 5513 1 11 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.589 -0.190 17628 5514 1 11 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.973 3.633 17628 5515 1 11 . 1 1 52 52 HIS N N 52 115.835 115.835 116.858 -1.023 17628 5516 1 11 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.865 0.122 17628 5517 1 11 . 1 1 52 52 HIS C C 52 176.442 176.442 175.158 1.284 17628 5518 1 11 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.105 0.878 17628 5519 1 11 . 1 1 52 52 HIS CB C 52 26.270 26.270 31.620 -5.350 17628 5520 1 11 . 1 1 52 52 HIS H H 52 8.904 8.904 8.076 0.828 17628 5521 1 11 . 1 1 53 53 ARG N N 53 124.169 124.169 127.177 -3.008 17628 5522 1 11 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.424 -1.104 17628 5523 1 11 . 1 1 53 53 ARG C C 53 177.862 177.862 177.282 0.580 17628 5524 1 11 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.253 0.105 17628 5525 1 11 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.022 -0.368 17628 5526 1 11 . 1 1 53 53 ARG H H 53 8.876 8.876 8.999 -0.123 17628 5527 1 11 . 1 1 54 54 GLU N N 54 118.465 118.465 120.069 -1.604 17628 5528 1 11 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.414 -0.381 17628 5529 1 11 . 1 1 54 54 GLU C C 54 177.704 177.704 178.218 -0.514 17628 5530 1 11 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.433 0.310 17628 5531 1 11 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.599 -1.655 17628 5532 1 11 . 1 1 54 54 GLU H H 54 9.759 9.759 8.746 1.013 17628 5533 1 11 . 1 1 55 55 LEU N N 55 120.238 120.238 118.246 1.992 17628 5534 1 11 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.296 -0.240 17628 5535 1 11 . 1 1 55 55 LEU C C 55 177.601 177.601 176.130 1.471 17628 5536 1 11 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.793 0.089 17628 5537 1 11 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.785 -0.560 17628 5538 1 11 . 1 1 55 55 LEU H H 55 7.351 7.351 7.438 -0.087 17628 5539 1 11 . 1 1 56 56 CYS N N 56 115.234 115.234 112.905 2.329 17628 5540 1 11 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.662 -0.401 17628 5541 1 11 . 1 1 56 56 CYS C C 56 175.060 175.060 173.124 1.936 17628 5542 1 11 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.682 -1.799 17628 5543 1 11 . 1 1 56 56 CYS CB C 56 38.516 38.516 28.497 10.019 17628 5544 1 11 . 1 1 56 56 CYS H H 56 7.640 7.640 7.498 0.142 17628 5545 1 11 . 1 1 57 57 ARG N N 57 119.272 119.272 119.264 0.008 17628 5546 1 11 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.282 0.202 17628 5547 1 11 . 1 1 57 57 ARG C C 57 176.114 176.114 174.147 1.967 17628 5548 1 11 . 1 1 57 57 ARG CA C 57 55.323 55.323 56.049 -0.726 17628 5549 1 11 . 1 1 57 57 ARG CB C 57 31.650 31.650 32.222 -0.572 17628 5550 1 11 . 1 1 57 57 ARG H H 57 7.626 7.626 7.172 0.454 17628 5551 1 11 . 1 1 58 58 GLY N N 58 108.813 108.813 113.368 -4.555 17628 5552 1 11 . 1 1 58 58 GLY C C 58 173.663 173.663 173.620 0.043 17628 5553 1 11 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.653 -0.296 17628 5554 1 11 . 1 1 58 58 GLY H H 58 8.139 8.139 8.746 -0.607 17628 5555 1 11 . 1 1 59 59 ARG N N 59 121.042 121.042 120.288 0.754 17628 5556 1 11 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.872 -0.116 17628 5557 1 11 . 1 1 59 59 ARG C C 59 174.784 174.784 173.352 1.432 17628 5558 1 11 . 1 1 59 59 ARG CA C 59 53.834 53.834 53.356 0.478 17628 5559 1 11 . 1 1 59 59 ARG CB C 59 30.716 30.716 31.788 -1.072 17628 5560 1 11 . 1 1 59 59 ARG H H 59 8.216 8.216 8.536 -0.320 17628 5561 1 11 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.453 0.021 17628 5562 1 11 . 1 1 60 60 PRO C C 60 176.726 176.726 176.467 0.259 17628 5563 1 11 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.591 0.258 17628 5564 1 11 . 1 1 60 60 PRO CB C 60 31.909 31.909 31.755 0.154 17628 5565 1 11 . 1 1 61 61 THR N N 61 110.945 110.945 119.724 -8.779 17628 5566 1 11 . 1 1 61 61 THR HA H 61 4.426 4.426 4.367 0.059 17628 5567 1 11 . 1 1 61 61 THR C C 61 174.238 174.238 175.979 -1.741 17628 5568 1 11 . 1 1 61 61 THR CA C 61 61.219 61.219 60.971 0.248 17628 5569 1 11 . 1 1 61 61 THR CB C 61 70.449 70.449 69.643 0.806 17628 5570 1 11 . 1 1 61 61 THR H H 61 7.940 7.940 7.876 0.064 17628 5571 1 11 . 1 1 62 62 GLU N N 62 119.936 119.936 120.924 -0.988 17628 5572 1 11 . 1 1 62 62 GLU HA H 62 4.170 4.170 3.922 0.248 17628 5573 1 11 . 1 1 62 62 GLU C C 62 175.889 175.889 175.927 -0.038 17628 5574 1 11 . 1 1 62 62 GLU CA C 62 57.090 57.090 58.699 -1.609 17628 5575 1 11 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.564 0.545 17628 5576 1 11 . 1 1 62 62 GLU H H 62 8.342 8.342 8.677 -0.335 17628 5577 1 11 . 1 1 63 63 PHE N N 63 117.934 117.934 113.639 4.295 17628 5578 1 11 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.482 0.117 17628 5579 1 11 . 1 1 63 63 PHE C C 63 175.367 175.367 173.851 1.516 17628 5580 1 11 . 1 1 63 63 PHE CA C 63 58.150 58.150 56.925 1.225 17628 5581 1 11 . 1 1 63 63 PHE CB C 63 39.511 39.511 38.203 1.308 17628 5582 1 11 . 1 1 63 63 PHE H H 63 8.137 8.137 8.042 0.095 17628 5583 1 11 . 1 1 64 64 VAL N N 64 120.294 120.294 116.289 4.005 17628 5584 1 11 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.610 -0.227 17628 5585 1 11 . 1 1 64 64 VAL C C 64 174.649 174.649 174.218 0.431 17628 5586 1 11 . 1 1 64 64 VAL CA C 64 62.287 62.287 59.343 2.945 17628 5587 1 11 . 1 1 64 64 VAL CB C 64 33.405 33.405 34.347 -0.942 17628 5588 1 11 . 1 1 64 64 VAL H H 64 7.792 7.792 7.733 0.059 17628 5589 1 11 . 1 1 65 65 ASN N N 65 121.166 121.166 118.111 3.055 17628 5590 1 11 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.687 0.210 17628 5591 1 11 . 1 1 65 65 ASN C C 65 173.716 173.716 173.486 0.230 17628 5592 1 11 . 1 1 65 65 ASN CA C 65 52.908 52.908 52.781 0.127 17628 5593 1 11 . 1 1 65 65 ASN CB C 65 40.357 40.357 40.411 -0.054 17628 5594 1 11 . 1 1 65 65 ASN H H 65 8.455 8.455 8.264 0.191 17628 5595 1 11 . 1 1 66 66 HIS N N 66 121.303 121.303 122.324 -1.021 17628 5596 1 11 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.929 -0.878 17628 5597 1 11 . 1 1 66 66 HIS C C 66 172.730 172.730 174.148 -1.418 17628 5598 1 11 . 1 1 66 66 HIS CA C 66 55.764 55.764 53.105 2.659 17628 5599 1 11 . 1 1 66 66 HIS CB C 66 31.856 31.856 29.210 2.646 17628 5600 1 11 . 1 1 66 66 HIS H H 66 8.128 8.128 7.815 0.313 17628 5601 1 11 . 1 1 67 67 TYR N N 67 125.626 125.626 126.728 -1.102 17628 5602 1 11 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.937 0.000 17628 5603 1 11 . 1 1 67 67 TYR C C 67 174.178 174.178 173.745 0.433 17628 5604 1 11 . 1 1 67 67 TYR CA C 67 57.181 57.181 58.181 -1.000 17628 5605 1 11 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.860 0.287 17628 5606 1 11 . 1 1 67 67 TYR H H 67 9.065 9.065 8.667 0.398 17628 5607 1 11 . 1 1 68 68 CYS N N 68 123.801 123.801 119.675 4.126 17628 5608 1 11 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.664 0.135 17628 5609 1 11 . 1 1 68 68 CYS C C 68 171.347 171.347 173.654 -2.307 17628 5610 1 11 . 1 1 68 68 CYS CA C 68 51.895 51.895 55.147 -3.252 17628 5611 1 11 . 1 1 68 68 CYS CB C 68 45.198 45.198 29.839 15.359 17628 5612 1 11 . 1 1 68 68 CYS H H 68 7.902 7.902 7.244 0.658 17628 5613 1 11 . 1 1 69 69 CYS N N 69 115.715 115.715 121.151 -5.436 17628 5614 1 11 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.616 0.166 17628 5615 1 11 . 1 1 69 69 CYS C C 69 173.552 173.552 174.176 -0.624 17628 5616 1 11 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.812 -3.816 17628 5617 1 11 . 1 1 69 69 CYS CB C 69 44.900 44.900 31.125 13.775 17628 5618 1 11 . 1 1 69 69 CYS H H 69 8.843 8.843 8.893 -0.050 17628 5619 1 11 . 1 1 70 70 ASP N N 70 120.487 120.487 123.707 -3.220 17628 5620 1 11 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.868 0.296 17628 5621 1 11 . 1 1 70 70 ASP C C 70 174.507 174.507 174.384 0.123 17628 5622 1 11 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.880 -0.053 17628 5623 1 11 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.141 1.340 17628 5624 1 11 . 1 1 70 70 ASP H H 70 8.531 8.531 8.709 -0.178 17628 5625 1 11 . 1 1 71 71 SER N N 71 113.179 113.179 113.981 -0.802 17628 5626 1 11 . 1 1 71 71 SER HA H 71 4.896 4.896 4.840 0.056 17628 5627 1 11 . 1 1 71 71 SER C C 71 173.387 173.387 173.359 0.028 17628 5628 1 11 . 1 1 71 71 SER CA C 71 57.709 57.709 57.584 0.125 17628 5629 1 11 . 1 1 71 71 SER CB C 71 66.587 66.587 66.619 -0.032 17628 5630 1 11 . 1 1 71 71 SER H H 71 7.641 7.641 7.629 0.012 17628 5631 1 11 . 1 1 72 72 HIS N N 72 119.348 119.348 120.279 -0.931 17628 5632 1 11 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.594 -0.056 17628 5633 1 11 . 1 1 72 72 HIS C C 72 176.173 176.173 176.230 -0.057 17628 5634 1 11 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.248 2.486 17628 5635 1 11 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.947 1.829 17628 5636 1 11 . 1 1 72 72 HIS H H 72 8.308 8.308 8.845 -0.537 17628 5637 1 11 . 1 1 73 73 LEU N N 73 123.124 123.124 118.705 4.419 17628 5638 1 11 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.963 -0.195 17628 5639 1 11 . 1 1 73 73 LEU C C 73 178.572 178.572 177.056 1.516 17628 5640 1 11 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.440 1.162 17628 5641 1 11 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.217 0.785 17628 5642 1 11 . 1 1 73 73 LEU H H 73 9.769 9.769 8.732 1.037 17628 5643 1 11 . 1 1 74 74 CYS N N 74 116.789 116.789 119.331 -2.542 17628 5644 1 11 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.392 0.030 17628 5645 1 11 . 1 1 74 74 CYS C C 74 174.644 174.644 176.192 -1.548 17628 5646 1 11 . 1 1 74 74 CYS CA C 74 58.560 58.560 60.308 -1.748 17628 5647 1 11 . 1 1 74 74 CYS CB C 74 44.268 44.268 27.871 16.397 17628 5648 1 11 . 1 1 74 74 CYS H H 74 8.488 8.488 8.011 0.477 17628 5649 1 11 . 1 1 75 75 ASN N N 75 118.193 118.193 117.727 0.466 17628 5650 1 11 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.837 -0.419 17628 5651 1 11 . 1 1 75 75 ASN C C 75 175.216 175.216 176.038 -0.822 17628 5652 1 11 . 1 1 75 75 ASN CA C 75 52.578 52.578 53.042 -0.464 17628 5653 1 11 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.544 0.069 17628 5654 1 11 . 1 1 75 75 ASN H H 75 8.432 8.432 8.053 0.379 17628 5655 1 11 . 1 1 76 76 HIS N N 76 120.329 120.329 121.191 -0.862 17628 5656 1 11 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.384 -0.217 17628 5657 1 11 . 1 1 76 76 HIS C C 76 174.631 174.631 175.039 -0.408 17628 5658 1 11 . 1 1 76 76 HIS CA C 76 59.328 59.328 59.605 -0.277 17628 5659 1 11 . 1 1 76 76 HIS CB C 76 29.708 29.708 30.488 -0.780 17628 5660 1 11 . 1 1 76 76 HIS H H 76 7.768 7.768 7.711 0.057 17628 5661 1 11 . 1 1 77 77 ASN N N 77 115.167 115.167 115.800 -0.633 17628 5662 1 11 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.610 -0.052 17628 5663 1 11 . 1 1 77 77 ASN C C 77 174.522 174.522 173.912 0.610 17628 5664 1 11 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.053 0.811 17628 5665 1 11 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.442 0.277 17628 5666 1 11 . 1 1 77 77 ASN H H 77 8.457 8.457 7.848 0.609 17628 5667 1 11 . 1 1 78 78 VAL N N 78 119.202 119.202 119.648 -0.446 17628 5668 1 11 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.224 -0.381 17628 5669 1 11 . 1 1 78 78 VAL C C 78 174.709 174.709 174.278 0.431 17628 5670 1 11 . 1 1 78 78 VAL CA C 78 62.643 62.643 60.135 2.508 17628 5671 1 11 . 1 1 78 78 VAL CB C 78 33.309 33.309 34.282 -0.973 17628 5672 1 11 . 1 1 78 78 VAL H H 78 6.691 6.691 7.184 -0.493 17628 5673 1 11 . 1 1 79 79 SER HA H 79 4.846 4.846 4.685 0.161 17628 5674 1 11 . 1 1 79 79 SER C C 79 174.082 174.082 173.528 0.554 17628 5675 1 11 . 1 1 79 79 SER CA C 79 56.222 56.222 57.594 -1.372 17628 5676 1 11 . 1 1 79 79 SER CB C 79 64.855 64.855 64.650 0.205 17628 5677 1 11 . 1 1 80 80 LEU N N 80 126.815 126.815 123.825 2.990 17628 5678 1 11 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.643 -0.283 17628 5679 1 11 . 1 1 80 80 LEU C C 80 176.897 176.897 174.966 1.931 17628 5680 1 11 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.612 -0.312 17628 5681 1 11 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.048 0.623 17628 5682 1 11 . 1 1 80 80 LEU H H 80 9.623 9.623 8.540 1.083 17628 5683 1 11 . 1 1 81 81 VAL N N 81 117.921 117.921 123.111 -5.190 17628 5684 1 11 . 1 1 81 81 VAL HA H 81 3.944 3.944 4.179 -0.235 17628 5685 1 11 . 1 1 81 81 VAL C C 81 175.889 175.889 175.349 0.540 17628 5686 1 11 . 1 1 81 81 VAL CA C 81 62.536 62.536 61.692 0.844 17628 5687 1 11 . 1 1 81 81 VAL CB C 81 32.869 32.869 32.728 0.141 17628 5688 1 11 . 1 1 81 81 VAL H H 81 7.824 7.824 8.109 -0.285 17628 5689 1 11 . 1 1 82 82 LEU N N 82 124.533 124.533 124.397 0.136 17628 5690 1 11 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.072 0.219 17628 5691 1 11 . 1 1 82 82 LEU C C 82 177.197 177.197 175.875 1.322 17628 5692 1 11 . 1 1 82 82 LEU CA C 82 55.131 55.131 56.514 -1.383 17628 5693 1 11 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.407 1.884 17628 5694 1 11 . 1 1 82 82 LEU H H 82 8.059 8.059 8.768 -0.709 17628 5695 1 11 . 1 1 83 83 GLU N N 83 120.926 120.926 118.333 2.593 17628 5696 1 11 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.313 -0.131 17628 5697 1 11 . 1 1 83 83 GLU C C 83 175.897 175.897 175.276 0.621 17628 5698 1 11 . 1 1 83 83 GLU CA C 83 56.515 56.515 56.525 -0.010 17628 5699 1 11 . 1 1 83 83 GLU CB C 83 30.167 30.167 30.318 -0.151 17628 5700 1 11 . 1 1 83 83 GLU H H 83 8.047 8.047 7.796 0.251 17628 5701 1 11 . 1 1 84 84 ALA N N 84 124.350 124.350 121.315 3.035 17628 5702 1 11 . 1 1 84 84 ALA HA H 84 4.304 4.304 3.990 0.314 17628 5703 1 11 . 1 1 84 84 ALA C C 84 177.704 177.704 175.980 1.724 17628 5704 1 11 . 1 1 84 84 ALA CA C 84 52.535 52.535 53.178 -0.643 17628 5705 1 11 . 1 1 84 84 ALA CB C 84 19.334 19.334 17.166 2.168 17628 5706 1 11 . 1 1 84 84 ALA H H 84 8.162 8.162 8.362 -0.200 17628 5707 1 11 . 1 1 85 85 THR N N 85 112.934 112.934 112.847 0.087 17628 5708 1 11 . 1 1 85 85 THR HA H 85 4.264 4.264 4.261 0.003 17628 5709 1 11 . 1 1 85 85 THR C C 85 174.231 174.231 174.666 -0.435 17628 5710 1 11 . 1 1 85 85 THR CA C 85 61.831 61.831 62.135 -0.304 17628 5711 1 11 . 1 1 85 85 THR CB C 85 69.955 69.955 68.758 1.197 17628 5712 1 11 . 1 1 85 85 THR H H 85 7.981 7.981 8.760 -0.779 17628 5713 1 11 . 1 1 86 86 GLN N N 86 123.516 123.516 119.827 3.689 17628 5714 1 11 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.704 -0.094 17628 5715 1 11 . 1 1 86 86 GLN C C 86 173.352 173.352 173.851 -0.499 17628 5716 1 11 . 1 1 86 86 GLN CA C 86 53.606 53.606 56.515 -2.909 17628 5717 1 11 . 1 1 86 86 GLN CB C 86 29.094 29.094 28.789 0.305 17628 5718 1 11 . 1 1 86 86 GLN H H 86 8.217 8.217 7.566 0.651 17628 5719 1 11 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.648 -0.235 17628 5720 1 11 . 1 1 88 88 PRO C C 88 176.930 176.930 177.505 -0.575 17628 5721 1 11 . 1 1 88 88 PRO CA C 88 63.105 63.105 62.078 1.028 17628 5722 1 11 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.529 -0.369 17628 5723 1 11 . 1 1 89 89 SER N N 89 116.298 116.298 114.214 2.084 17628 5724 1 11 . 1 1 89 89 SER HA H 89 4.419 4.419 4.385 0.034 17628 5725 1 11 . 1 1 89 89 SER C C 89 174.469 174.469 175.316 -0.847 17628 5726 1 11 . 1 1 89 89 SER CA C 89 58.378 58.378 59.345 -0.967 17628 5727 1 11 . 1 1 89 89 SER CB C 89 63.995 63.995 62.722 1.273 17628 5728 1 11 . 1 1 89 89 SER H H 89 8.358 8.358 8.438 -0.080 17628 5729 1 11 . 1 1 90 90 GLU N N 90 122.340 122.340 120.969 1.371 17628 5730 1 11 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.118 0.529 17628 5731 1 11 . 1 1 90 90 GLU C C 90 175.971 175.971 176.959 -0.988 17628 5732 1 11 . 1 1 90 90 GLU CA C 90 56.350 56.350 58.533 -2.183 17628 5733 1 11 . 1 1 90 90 GLU CB C 90 30.349 30.349 30.129 0.220 17628 5734 1 11 . 1 1 90 90 GLU H H 90 8.338 8.338 7.872 0.466 17628 5735 1 11 . 1 1 91 91 GLN N N 91 122.043 122.043 117.634 4.409 17628 5736 1 11 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.706 -0.103 17628 5737 1 11 . 1 1 91 91 GLN C C 91 173.879 173.879 173.594 0.285 17628 5738 1 11 . 1 1 91 91 GLN CA C 91 53.624 53.624 52.171 1.453 17628 5739 1 11 . 1 1 91 91 GLN CB C 91 29.090 29.090 28.746 0.344 17628 5740 1 11 . 1 1 91 91 GLN H H 91 8.317 8.317 7.543 0.774 17628 5741 1 11 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.246 0.171 17628 5742 1 11 . 1 1 92 92 PRO C C 92 177.488 177.488 176.532 0.956 17628 5743 1 11 . 1 1 92 92 PRO CA C 92 63.383 63.383 63.398 -0.015 17628 5744 1 11 . 1 1 92 92 PRO CB C 92 32.153 32.153 30.853 1.300 17628 5745 1 11 . 1 1 93 93 GLY N N 93 109.201 109.201 112.771 -3.570 17628 5746 1 11 . 1 1 93 93 GLY C C 93 174.619 174.619 172.023 2.596 17628 5747 1 11 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.220 0.123 17628 5748 1 11 . 1 1 93 93 GLY H H 93 8.480 8.480 7.864 0.616 17628 5749 1 11 . 1 1 94 94 THR N N 94 112.828 112.828 115.633 -2.805 17628 5750 1 11 . 1 1 94 94 THR HA H 94 4.356 4.356 4.639 -0.283 17628 5751 1 11 . 1 1 94 94 THR C C 94 174.510 174.510 172.702 1.808 17628 5752 1 11 . 1 1 94 94 THR CA C 94 61.816 61.816 62.228 -0.412 17628 5753 1 11 . 1 1 94 94 THR CB C 94 69.913 69.913 70.056 -0.143 17628 5754 1 11 . 1 1 94 94 THR H H 94 8.044 8.044 8.190 -0.146 17628 5755 1 11 . 1 1 95 95 ASP N N 95 122.173 122.173 126.346 -4.173 17628 5756 1 11 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.973 -0.367 17628 5757 1 11 . 1 1 95 95 ASP C C 95 176.584 176.584 174.625 1.959 17628 5758 1 11 . 1 1 95 95 ASP CA C 95 54.631 54.631 52.811 1.820 17628 5759 1 11 . 1 1 95 95 ASP CB C 95 41.067 41.067 43.578 -2.511 17628 5760 1 11 . 1 1 95 95 ASP H H 95 8.413 8.413 8.425 -0.012 17628 5761 1 11 . 1 1 96 96 GLY N N 96 109.220 109.220 107.317 1.903 17628 5762 1 11 . 1 1 96 96 GLY C C 96 173.454 173.454 173.391 0.063 17628 5763 1 11 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.078 0.587 17628 5764 1 11 . 1 1 96 96 GLY H H 96 8.290 8.290 8.122 0.168 17628 5765 1 12 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.442 -0.033 17628 5766 1 12 . 1 1 2 2 PRO C C 2 176.726 176.726 176.898 -0.172 17628 5767 1 12 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.730 0.291 17628 5768 1 12 . 1 1 2 2 PRO CB C 2 32.135 32.135 32.204 -0.069 17628 5769 1 12 . 1 1 3 3 VAL N N 3 120.494 120.494 112.257 8.237 17628 5770 1 12 . 1 1 3 3 VAL HA H 3 3.994 3.994 3.648 0.346 17628 5771 1 12 . 1 1 3 3 VAL C C 3 175.979 175.979 175.320 0.659 17628 5772 1 12 . 1 1 3 3 VAL CA C 3 62.467 62.467 62.727 -0.260 17628 5773 1 12 . 1 1 3 3 VAL CB C 3 32.545 32.545 30.298 2.247 17628 5774 1 12 . 1 1 3 3 VAL H H 3 8.140 8.140 8.347 -0.207 17628 5775 1 12 . 1 1 4 4 LYS N N 4 126.411 126.411 119.413 6.998 17628 5776 1 12 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.444 0.140 17628 5777 1 12 . 1 1 4 4 LYS C C 4 174.350 174.350 174.933 -0.583 17628 5778 1 12 . 1 1 4 4 LYS CA C 4 54.055 54.055 54.485 -0.430 17628 5779 1 12 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.417 1.162 17628 5780 1 12 . 1 1 4 4 LYS H H 4 8.276 8.276 7.818 0.458 17628 5781 1 12 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.225 0.200 17628 5782 1 12 . 1 1 5 5 PRO C C 5 176.929 176.929 175.191 1.738 17628 5783 1 12 . 1 1 5 5 PRO CA C 5 63.195 63.195 64.509 -1.314 17628 5784 1 12 . 1 1 5 5 PRO CB C 5 32.088 32.088 29.562 2.526 17628 5785 1 12 . 1 1 6 6 SER N N 6 115.564 115.564 114.201 1.363 17628 5786 1 12 . 1 1 6 6 SER HA H 6 4.379 4.379 3.918 0.461 17628 5787 1 12 . 1 1 6 6 SER C C 6 174.458 174.458 173.616 0.842 17628 5788 1 12 . 1 1 6 6 SER CA C 6 58.418 58.418 59.951 -1.533 17628 5789 1 12 . 1 1 6 6 SER CB C 6 63.981 63.981 63.285 0.696 17628 5790 1 12 . 1 1 6 6 SER H H 6 8.283 8.283 8.437 -0.154 17628 5791 1 12 . 1 1 7 7 ARG N N 7 122.599 122.599 119.890 2.709 17628 5792 1 12 . 1 1 7 7 ARG HA H 7 4.424 4.424 4.432 -0.008 17628 5793 1 12 . 1 1 7 7 ARG C C 7 176.216 176.216 177.220 -1.004 17628 5794 1 12 . 1 1 7 7 ARG CA C 7 56.083 56.083 56.844 -0.761 17628 5795 1 12 . 1 1 7 7 ARG CB C 7 31.142 31.142 32.009 -0.867 17628 5796 1 12 . 1 1 7 7 ARG H H 7 8.321 8.321 8.389 -0.068 17628 5797 1 12 . 1 1 8 8 GLY N N 8 110.092 110.092 110.131 -0.039 17628 5798 1 12 . 1 1 8 8 GLY C C 8 171.536 171.536 173.318 -1.782 17628 5799 1 12 . 1 1 8 8 GLY CA C 8 44.474 44.474 45.642 -1.167 17628 5800 1 12 . 1 1 8 8 GLY H H 8 8.248 8.248 8.189 0.059 17628 5801 1 12 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.238 0.187 17628 5802 1 12 . 1 1 9 9 PRO C C 9 176.675 176.675 175.523 1.152 17628 5803 1 12 . 1 1 9 9 PRO CA C 9 63.200 63.200 63.485 -0.285 17628 5804 1 12 . 1 1 9 9 PRO CB C 9 32.242 32.242 32.083 0.159 17628 5805 1 12 . 1 1 10 10 LEU N N 10 120.335 120.335 120.002 0.333 17628 5806 1 12 . 1 1 10 10 LEU HA H 10 4.515 4.515 5.197 -0.682 17628 5807 1 12 . 1 1 10 10 LEU C C 10 176.413 176.413 176.195 0.218 17628 5808 1 12 . 1 1 10 10 LEU CA C 10 54.400 54.400 53.822 0.578 17628 5809 1 12 . 1 1 10 10 LEU CB C 10 43.946 43.946 44.401 -0.456 17628 5810 1 12 . 1 1 10 10 LEU H H 10 8.018 8.018 8.264 -0.246 17628 5811 1 12 . 1 1 11 11 VAL N N 11 120.543 120.543 125.382 -4.839 17628 5812 1 12 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.429 0.026 17628 5813 1 12 . 1 1 11 11 VAL C C 11 174.141 174.141 175.649 -1.508 17628 5814 1 12 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.078 -0.810 17628 5815 1 12 . 1 1 11 11 VAL CB C 11 35.006 35.006 34.593 0.413 17628 5816 1 12 . 1 1 11 11 VAL H H 11 9.111 9.111 8.236 0.875 17628 5817 1 12 . 1 1 12 12 THR N N 12 120.707 120.707 124.395 -3.688 17628 5818 1 12 . 1 1 12 12 THR HA H 12 4.883 4.883 5.317 -0.434 17628 5819 1 12 . 1 1 12 12 THR C C 12 173.103 173.103 174.219 -1.116 17628 5820 1 12 . 1 1 12 12 THR CA C 12 62.760 62.760 63.495 -0.736 17628 5821 1 12 . 1 1 12 12 THR CB C 12 69.037 69.037 69.956 -0.919 17628 5822 1 12 . 1 1 12 12 THR H H 12 8.886 8.886 8.614 0.272 17628 5823 1 12 . 1 1 13 13 CYS N N 13 124.651 124.651 124.767 -0.116 17628 5824 1 12 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.903 -0.021 17628 5825 1 12 . 1 1 13 13 CYS C C 13 174.463 174.463 174.509 -0.046 17628 5826 1 12 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.320 -6.198 17628 5827 1 12 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.735 10.671 17628 5828 1 12 . 1 1 13 13 CYS H H 13 9.165 9.165 8.391 0.774 17628 5829 1 12 . 1 1 14 14 THR N N 14 121.496 121.496 117.561 3.935 17628 5830 1 12 . 1 1 14 14 THR HA H 14 4.001 4.001 4.197 -0.196 17628 5831 1 12 . 1 1 14 14 THR C C 14 172.453 172.453 173.970 -1.517 17628 5832 1 12 . 1 1 14 14 THR CA C 14 66.024 66.024 64.896 1.128 17628 5833 1 12 . 1 1 14 14 THR CB C 14 69.319 69.319 69.222 0.098 17628 5834 1 12 . 1 1 14 14 THR H H 14 8.931 8.931 8.631 0.300 17628 5835 1 12 . 1 1 15 15 CYS N N 15 129.296 129.296 125.958 3.338 17628 5836 1 12 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.780 -0.746 17628 5837 1 12 . 1 1 15 15 CYS C C 15 174.111 174.111 173.278 0.833 17628 5838 1 12 . 1 1 15 15 CYS CA C 15 57.007 57.007 56.922 0.085 17628 5839 1 12 . 1 1 15 15 CYS CB C 15 37.153 37.153 31.301 5.852 17628 5840 1 12 . 1 1 15 15 CYS H H 15 8.227 8.227 8.254 -0.027 17628 5841 1 12 . 1 1 16 16 GLU N N 16 127.625 127.625 122.971 4.654 17628 5842 1 12 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.541 -0.028 17628 5843 1 12 . 1 1 16 16 GLU C C 16 173.185 173.185 174.993 -1.808 17628 5844 1 12 . 1 1 16 16 GLU CA C 16 56.082 56.082 56.330 -0.248 17628 5845 1 12 . 1 1 16 16 GLU CB C 16 32.050 32.050 30.643 1.407 17628 5846 1 12 . 1 1 16 16 GLU H H 16 9.106 9.106 8.378 0.728 17628 5847 1 12 . 1 1 17 17 SER N N 17 123.384 123.384 116.271 7.113 17628 5848 1 12 . 1 1 17 17 SER HA H 17 4.503 4.503 4.093 0.410 17628 5849 1 12 . 1 1 17 17 SER C C 17 172.946 172.946 171.789 1.157 17628 5850 1 12 . 1 1 17 17 SER CA C 17 57.341 57.341 59.901 -2.560 17628 5851 1 12 . 1 1 17 17 SER CB C 17 63.379 63.379 61.581 1.798 17628 5852 1 12 . 1 1 17 17 SER H H 17 7.770 7.770 8.679 -0.909 17628 5853 1 12 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.470 -0.118 17628 5854 1 12 . 1 1 18 18 PRO C C 18 176.600 176.600 176.815 -0.215 17628 5855 1 12 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.728 0.699 17628 5856 1 12 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.069 -0.062 17628 5857 1 12 . 1 1 19 19 HIS N N 19 113.110 113.110 114.951 -1.841 17628 5858 1 12 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.785 -0.107 17628 5859 1 12 . 1 1 19 19 HIS C C 19 175.396 175.396 174.611 0.785 17628 5860 1 12 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.953 -0.924 17628 5861 1 12 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.079 -0.671 17628 5862 1 12 . 1 1 19 19 HIS H H 19 7.898 7.898 8.112 -0.214 17628 5863 1 12 . 1 1 20 20 CYS N N 20 119.283 119.283 116.665 2.618 17628 5864 1 12 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.627 -0.263 17628 5865 1 12 . 1 1 20 20 CYS C C 20 174.956 174.956 173.876 1.080 17628 5866 1 12 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.505 0.258 17628 5867 1 12 . 1 1 20 20 CYS CB C 20 42.002 42.002 31.599 10.403 17628 5868 1 12 . 1 1 20 20 CYS H H 20 7.305 7.305 7.564 -0.259 17628 5869 1 12 . 1 1 21 21 LYS N N 21 124.199 124.199 120.884 3.315 17628 5870 1 12 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.351 0.052 17628 5871 1 12 . 1 1 21 21 LYS C C 21 175.650 175.650 176.571 -0.921 17628 5872 1 12 . 1 1 21 21 LYS CA C 21 56.112 56.112 56.020 0.092 17628 5873 1 12 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.195 -0.029 17628 5874 1 12 . 1 1 21 21 LYS H H 21 8.851 8.851 8.711 0.140 17628 5875 1 12 . 1 1 22 22 GLY N N 22 108.943 108.943 106.988 1.955 17628 5876 1 12 . 1 1 22 22 GLY C C 22 171.467 171.467 172.926 -1.459 17628 5877 1 12 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.308 -0.871 17628 5878 1 12 . 1 1 22 22 GLY H H 22 7.768 7.768 7.825 -0.057 17628 5879 1 12 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.541 0.273 17628 5880 1 12 . 1 1 23 23 PRO C C 23 177.578 177.578 175.907 1.671 17628 5881 1 12 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.365 -0.156 17628 5882 1 12 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.546 -0.161 17628 5883 1 12 . 1 1 24 24 THR N N 24 108.931 108.931 107.660 1.271 17628 5884 1 12 . 1 1 24 24 THR HA H 24 5.358 5.358 4.942 0.416 17628 5885 1 12 . 1 1 24 24 THR C C 24 173.043 173.043 173.727 -0.684 17628 5886 1 12 . 1 1 24 24 THR CA C 24 59.041 59.041 59.761 -0.720 17628 5887 1 12 . 1 1 24 24 THR CB C 24 73.255 73.255 72.064 1.191 17628 5888 1 12 . 1 1 24 24 THR H H 24 7.599 7.599 7.972 -0.373 17628 5889 1 12 . 1 1 25 25 CYS N N 25 115.152 115.152 115.847 -0.695 17628 5890 1 12 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.775 0.091 17628 5891 1 12 . 1 1 25 25 CYS C C 25 171.952 171.952 173.520 -1.568 17628 5892 1 12 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.798 -4.311 17628 5893 1 12 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.820 15.565 17628 5894 1 12 . 1 1 25 25 CYS H H 25 8.872 8.872 8.573 0.299 17628 5895 1 12 . 1 1 26 26 ARG N N 26 119.551 119.551 124.413 -4.862 17628 5896 1 12 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.423 1.154 17628 5897 1 12 . 1 1 26 26 ARG C C 26 176.621 176.621 176.175 0.446 17628 5898 1 12 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.404 -2.279 17628 5899 1 12 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.529 2.059 17628 5900 1 12 . 1 1 26 26 ARG H H 26 8.481 8.481 8.654 -0.173 17628 5901 1 12 . 1 1 27 27 GLY N N 27 111.192 111.192 111.100 0.092 17628 5902 1 12 . 1 1 27 27 GLY C C 27 170.250 170.250 172.765 -2.515 17628 5903 1 12 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.175 -0.042 17628 5904 1 12 . 1 1 27 27 GLY H H 27 8.866 8.866 8.511 0.355 17628 5905 1 12 . 1 1 28 28 ALA N N 28 123.763 123.763 120.894 2.869 17628 5906 1 12 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.848 -0.435 17628 5907 1 12 . 1 1 28 28 ALA C C 28 177.525 177.525 175.969 1.556 17628 5908 1 12 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.783 2.934 17628 5909 1 12 . 1 1 28 28 ALA CB C 28 19.214 19.214 20.877 -1.663 17628 5910 1 12 . 1 1 28 28 ALA H H 28 7.732 7.732 8.577 -0.845 17628 5911 1 12 . 1 1 29 29 TRP N N 29 112.576 112.576 114.350 -1.774 17628 5912 1 12 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.743 -0.103 17628 5913 1 12 . 1 1 29 29 TRP C C 29 172.901 172.901 173.342 -0.441 17628 5914 1 12 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.722 4.040 17628 5915 1 12 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.256 0.350 17628 5916 1 12 . 1 1 29 29 TRP H H 29 7.830 7.830 7.315 0.515 17628 5917 1 12 . 1 1 30 30 CYS N N 30 116.421 116.421 120.798 -4.377 17628 5918 1 12 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.443 0.451 17628 5919 1 12 . 1 1 30 30 CYS C C 30 176.719 176.719 175.097 1.622 17628 5920 1 12 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.675 -6.978 17628 5921 1 12 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.366 10.889 17628 5922 1 12 . 1 1 30 30 CYS H H 30 9.319 9.319 8.932 0.387 17628 5923 1 12 . 1 1 31 31 THR N N 31 110.073 110.073 117.119 -7.046 17628 5924 1 12 . 1 1 31 31 THR HA H 31 5.917 5.917 5.392 0.525 17628 5925 1 12 . 1 1 31 31 THR C C 31 177.249 177.249 174.110 3.139 17628 5926 1 12 . 1 1 31 31 THR CA C 31 59.845 59.845 60.363 -0.518 17628 5927 1 12 . 1 1 31 31 THR CB C 31 72.586 72.586 70.651 1.935 17628 5928 1 12 . 1 1 31 31 THR H H 31 8.936 8.936 9.298 -0.362 17628 5929 1 12 . 1 1 32 32 VAL N N 32 122.685 122.685 122.533 0.152 17628 5930 1 12 . 1 1 32 32 VAL HA H 32 4.762 4.762 4.867 -0.105 17628 5931 1 12 . 1 1 32 32 VAL C C 32 173.813 173.813 174.250 -0.437 17628 5932 1 12 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.785 3.934 17628 5933 1 12 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.517 0.355 17628 5934 1 12 . 1 1 32 32 VAL H H 32 8.841 8.841 9.343 -0.502 17628 5935 1 12 . 1 1 33 33 VAL N N 33 124.915 124.915 120.080 4.835 17628 5936 1 12 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.933 -0.146 17628 5937 1 12 . 1 1 33 33 VAL C C 33 174.014 174.014 174.285 -0.271 17628 5938 1 12 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.874 -0.412 17628 5939 1 12 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.406 1.282 17628 5940 1 12 . 1 1 33 33 VAL H H 33 9.047 9.047 8.779 0.268 17628 5941 1 12 . 1 1 34 34 LEU N N 34 127.771 127.771 129.027 -1.256 17628 5942 1 12 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.741 0.148 17628 5943 1 12 . 1 1 34 34 LEU C C 34 175.433 175.433 175.928 -0.495 17628 5944 1 12 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.878 0.137 17628 5945 1 12 . 1 1 34 34 LEU CB C 34 44.427 44.427 42.481 1.946 17628 5946 1 12 . 1 1 34 34 LEU H H 34 8.450 8.450 8.092 0.358 17628 5947 1 12 . 1 1 35 35 VAL N N 35 125.904 125.904 129.481 -3.577 17628 5948 1 12 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.047 0.329 17628 5949 1 12 . 1 1 35 35 VAL C C 35 175.098 175.098 175.556 -0.458 17628 5950 1 12 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.817 -0.516 17628 5951 1 12 . 1 1 35 35 VAL CB C 35 34.190 34.190 30.216 3.974 17628 5952 1 12 . 1 1 35 35 VAL H H 35 8.868 8.868 8.962 -0.094 17628 5953 1 12 . 1 1 36 36 ARG N N 36 127.282 127.282 129.023 -1.741 17628 5954 1 12 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.432 0.084 17628 5955 1 12 . 1 1 36 36 ARG C C 36 175.068 175.068 176.207 -1.139 17628 5956 1 12 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.903 -0.379 17628 5957 1 12 . 1 1 36 36 ARG CB C 36 31.603 31.603 29.275 2.328 17628 5958 1 12 . 1 1 36 36 ARG H H 36 8.665 8.665 8.072 0.593 17628 5959 1 12 . 1 1 37 37 GLU N N 37 124.628 124.628 124.410 0.218 17628 5960 1 12 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.189 0.209 17628 5961 1 12 . 1 1 37 37 GLU C C 37 175.762 175.762 176.645 -0.883 17628 5962 1 12 . 1 1 37 37 GLU CA C 37 55.477 55.477 56.112 -0.635 17628 5963 1 12 . 1 1 37 37 GLU CB C 37 31.724 31.724 30.453 1.271 17628 5964 1 12 . 1 1 37 37 GLU H H 37 8.458 8.458 8.750 -0.292 17628 5965 1 12 . 1 1 38 38 GLU N N 38 123.236 123.236 120.738 2.498 17628 5966 1 12 . 1 1 38 38 GLU HA H 38 4.028 4.028 3.916 0.112 17628 5967 1 12 . 1 1 38 38 GLU C C 38 177.354 177.354 176.722 0.632 17628 5968 1 12 . 1 1 38 38 GLU CA C 38 57.924 57.924 57.708 0.216 17628 5969 1 12 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.513 0.757 17628 5970 1 12 . 1 1 38 38 GLU H H 38 8.628 8.628 8.631 -0.003 17628 5971 1 12 . 1 1 39 39 GLY N N 39 111.764 111.764 114.226 -2.462 17628 5972 1 12 . 1 1 39 39 GLY C C 39 173.954 173.954 173.820 0.134 17628 5973 1 12 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.130 0.462 17628 5974 1 12 . 1 1 39 39 GLY H H 39 8.670 8.670 8.007 0.663 17628 5975 1 12 . 1 1 40 40 ARG N N 40 118.313 118.313 118.669 -0.356 17628 5976 1 12 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.241 0.348 17628 5977 1 12 . 1 1 40 40 ARG C C 40 175.874 175.874 174.625 1.249 17628 5978 1 12 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.642 -2.057 17628 5979 1 12 . 1 1 40 40 ARG CB C 40 32.502 32.502 30.520 1.982 17628 5980 1 12 . 1 1 40 40 ARG H H 40 7.905 7.905 7.801 0.104 17628 5981 1 12 . 1 1 41 41 HIS N N 41 120.013 120.013 122.503 -2.490 17628 5982 1 12 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.544 0.311 17628 5983 1 12 . 1 1 41 41 HIS C C 41 173.290 173.290 173.573 -0.283 17628 5984 1 12 . 1 1 41 41 HIS CA C 41 54.206 54.206 55.073 -0.867 17628 5985 1 12 . 1 1 41 41 HIS CB C 41 28.189 28.189 29.477 -1.288 17628 5986 1 12 . 1 1 41 41 HIS H H 41 8.512 8.512 7.964 0.548 17628 5987 1 12 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.543 0.097 17628 5988 1 12 . 1 1 42 42 PRO C C 42 175.777 175.777 175.866 -0.089 17628 5989 1 12 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.739 0.781 17628 5990 1 12 . 1 1 42 42 PRO CB C 42 32.493 32.493 31.979 0.514 17628 5991 1 12 . 1 1 43 43 GLN N N 43 120.474 120.474 124.397 -3.923 17628 5992 1 12 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.480 0.117 17628 5993 1 12 . 1 1 43 43 GLN C C 43 173.963 173.963 174.293 -0.330 17628 5994 1 12 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.238 0.246 17628 5995 1 12 . 1 1 43 43 GLN CB C 43 32.563 32.563 31.663 0.900 17628 5996 1 12 . 1 1 43 43 GLN H H 43 8.524 8.524 8.694 -0.170 17628 5997 1 12 . 1 1 44 44 GLU N N 44 122.323 122.323 126.334 -4.011 17628 5998 1 12 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.190 0.897 17628 5999 1 12 . 1 1 44 44 GLU C C 44 175.650 175.650 175.222 0.428 17628 6000 1 12 . 1 1 44 44 GLU CA C 44 55.435 55.435 55.906 -0.471 17628 6001 1 12 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.778 1.760 17628 6002 1 12 . 1 1 44 44 GLU H H 44 8.751 8.751 8.740 0.011 17628 6003 1 12 . 1 1 45 45 HIS N N 45 122.818 122.818 125.771 -2.953 17628 6004 1 12 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.190 0.199 17628 6005 1 12 . 1 1 45 45 HIS C C 45 174.918 174.918 173.956 0.962 17628 6006 1 12 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.608 -1.450 17628 6007 1 12 . 1 1 45 45 HIS CB C 45 33.390 33.390 32.414 0.976 17628 6008 1 12 . 1 1 45 45 HIS H H 45 9.202 9.202 8.827 0.375 17628 6009 1 12 . 1 1 46 46 ARG N N 46 122.260 122.260 121.104 1.156 17628 6010 1 12 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.242 -0.025 17628 6011 1 12 . 1 1 46 46 ARG C C 46 176.255 176.255 174.692 1.563 17628 6012 1 12 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.266 0.578 17628 6013 1 12 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.548 -2.155 17628 6014 1 12 . 1 1 46 46 ARG H H 46 8.847 8.847 8.072 0.775 17628 6015 1 12 . 1 1 47 47 GLY N N 47 114.135 114.135 107.656 6.479 17628 6016 1 12 . 1 1 47 47 GLY C C 47 171.175 171.175 172.218 -1.043 17628 6017 1 12 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.967 1.705 17628 6018 1 12 . 1 1 47 47 GLY H H 47 8.210 8.210 8.487 -0.277 17628 6019 1 12 . 1 1 48 48 CYS N N 48 118.698 118.698 120.516 -1.818 17628 6020 1 12 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.587 -0.395 17628 6021 1 12 . 1 1 48 48 CYS C C 48 173.522 173.522 175.655 -2.133 17628 6022 1 12 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.224 2.376 17628 6023 1 12 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.679 16.254 17628 6024 1 12 . 1 1 48 48 CYS H H 48 8.322 8.322 8.158 0.164 17628 6025 1 12 . 1 1 49 49 GLY N N 49 112.213 112.213 111.211 1.002 17628 6026 1 12 . 1 1 49 49 GLY C C 49 170.413 170.413 173.792 -3.379 17628 6027 1 12 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.385 -2.280 17628 6028 1 12 . 1 1 49 49 GLY H H 49 8.679 8.679 9.136 -0.457 17628 6029 1 12 . 1 1 50 50 ASN N N 50 115.420 115.420 117.741 -2.321 17628 6030 1 12 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.153 -0.125 17628 6031 1 12 . 1 1 50 50 ASN C C 50 173.574 173.574 176.430 -2.856 17628 6032 1 12 . 1 1 50 50 ASN CA C 50 54.381 54.381 55.216 -0.835 17628 6033 1 12 . 1 1 50 50 ASN CB C 50 42.721 42.721 36.641 6.080 17628 6034 1 12 . 1 1 50 50 ASN H H 50 8.103 8.103 7.824 0.279 17628 6035 1 12 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.331 0.324 17628 6036 1 12 . 1 1 51 51 LEU C C 51 176.323 176.323 177.567 -1.244 17628 6037 1 12 . 1 1 51 51 LEU CA C 51 54.399 54.399 56.182 -1.783 17628 6038 1 12 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.627 3.979 17628 6039 1 12 . 1 1 52 52 HIS N N 52 115.835 115.835 117.897 -2.062 17628 6040 1 12 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.641 0.346 17628 6041 1 12 . 1 1 52 52 HIS C C 52 176.442 176.442 175.950 0.492 17628 6042 1 12 . 1 1 52 52 HIS CA C 52 55.983 55.983 56.239 -0.255 17628 6043 1 12 . 1 1 52 52 HIS CB C 52 26.270 26.270 28.897 -2.627 17628 6044 1 12 . 1 1 52 52 HIS H H 52 8.904 8.904 7.828 1.076 17628 6045 1 12 . 1 1 53 53 ARG N N 53 124.169 124.169 126.667 -2.498 17628 6046 1 12 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.264 -0.944 17628 6047 1 12 . 1 1 53 53 ARG C C 53 177.862 177.862 177.443 0.419 17628 6048 1 12 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.971 -0.613 17628 6049 1 12 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.168 -0.514 17628 6050 1 12 . 1 1 53 53 ARG H H 53 8.876 8.876 8.250 0.626 17628 6051 1 12 . 1 1 54 54 GLU N N 54 118.465 118.465 119.652 -1.187 17628 6052 1 12 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.291 -0.258 17628 6053 1 12 . 1 1 54 54 GLU C C 54 177.704 177.704 177.779 -0.075 17628 6054 1 12 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.539 0.204 17628 6055 1 12 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.575 -1.631 17628 6056 1 12 . 1 1 54 54 GLU H H 54 9.759 9.759 8.810 0.949 17628 6057 1 12 . 1 1 55 55 LEU N N 55 120.238 120.238 118.047 2.191 17628 6058 1 12 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.279 -0.223 17628 6059 1 12 . 1 1 55 55 LEU C C 55 177.601 177.601 176.434 1.167 17628 6060 1 12 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.634 0.248 17628 6061 1 12 . 1 1 55 55 LEU CB C 55 41.225 41.225 42.017 -0.792 17628 6062 1 12 . 1 1 55 55 LEU H H 55 7.351 7.351 7.445 -0.094 17628 6063 1 12 . 1 1 56 56 CYS N N 56 115.234 115.234 115.999 -0.765 17628 6064 1 12 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.341 -0.080 17628 6065 1 12 . 1 1 56 56 CYS C C 56 175.060 175.060 173.242 1.818 17628 6066 1 12 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.145 -1.262 17628 6067 1 12 . 1 1 56 56 CYS CB C 56 38.516 38.516 27.407 11.109 17628 6068 1 12 . 1 1 56 56 CYS H H 56 7.640 7.640 7.417 0.223 17628 6069 1 12 . 1 1 57 57 ARG N N 57 119.272 119.272 119.486 -0.214 17628 6070 1 12 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.304 0.180 17628 6071 1 12 . 1 1 57 57 ARG C C 57 176.114 176.114 174.062 2.052 17628 6072 1 12 . 1 1 57 57 ARG CA C 57 55.323 55.323 56.414 -1.091 17628 6073 1 12 . 1 1 57 57 ARG CB C 57 31.650 31.650 32.267 -0.617 17628 6074 1 12 . 1 1 57 57 ARG H H 57 7.626 7.626 7.120 0.506 17628 6075 1 12 . 1 1 58 58 GLY N N 58 108.813 108.813 112.912 -4.099 17628 6076 1 12 . 1 1 58 58 GLY C C 58 173.663 173.663 173.402 0.261 17628 6077 1 12 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.993 -0.637 17628 6078 1 12 . 1 1 58 58 GLY H H 58 8.139 8.139 8.547 -0.408 17628 6079 1 12 . 1 1 59 59 ARG N N 59 121.042 121.042 122.143 -1.101 17628 6080 1 12 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.913 -0.157 17628 6081 1 12 . 1 1 59 59 ARG C C 59 174.784 174.784 173.434 1.350 17628 6082 1 12 . 1 1 59 59 ARG CA C 59 53.834 53.834 52.976 0.858 17628 6083 1 12 . 1 1 59 59 ARG CB C 59 30.716 30.716 31.799 -1.083 17628 6084 1 12 . 1 1 59 59 ARG H H 59 8.216 8.216 8.438 -0.222 17628 6085 1 12 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.467 0.007 17628 6086 1 12 . 1 1 60 60 PRO C C 60 176.726 176.726 175.763 0.963 17628 6087 1 12 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.093 0.756 17628 6088 1 12 . 1 1 60 60 PRO CB C 60 31.909 31.909 30.953 0.956 17628 6089 1 12 . 1 1 61 61 THR N N 61 110.945 110.945 115.715 -4.770 17628 6090 1 12 . 1 1 61 61 THR HA H 61 4.426 4.426 4.468 -0.042 17628 6091 1 12 . 1 1 61 61 THR C C 61 174.238 174.238 173.896 0.342 17628 6092 1 12 . 1 1 61 61 THR CA C 61 61.219 61.219 59.698 1.521 17628 6093 1 12 . 1 1 61 61 THR CB C 61 70.449 70.449 70.677 -0.228 17628 6094 1 12 . 1 1 61 61 THR H H 61 7.940 7.940 7.584 0.356 17628 6095 1 12 . 1 1 62 62 GLU N N 62 119.936 119.936 118.732 1.204 17628 6096 1 12 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.325 -0.155 17628 6097 1 12 . 1 1 62 62 GLU C C 62 175.889 175.889 177.465 -1.576 17628 6098 1 12 . 1 1 62 62 GLU CA C 62 57.090 57.090 57.225 -0.135 17628 6099 1 12 . 1 1 62 62 GLU CB C 62 30.109 30.109 30.052 0.057 17628 6100 1 12 . 1 1 62 62 GLU H H 62 8.342 8.342 8.383 -0.041 17628 6101 1 12 . 1 1 63 63 PHE N N 63 117.934 117.934 114.207 3.727 17628 6102 1 12 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.490 0.109 17628 6103 1 12 . 1 1 63 63 PHE C C 63 175.367 175.367 174.404 0.963 17628 6104 1 12 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.103 1.047 17628 6105 1 12 . 1 1 63 63 PHE CB C 63 39.511 39.511 37.947 1.564 17628 6106 1 12 . 1 1 63 63 PHE H H 63 8.137 8.137 7.382 0.755 17628 6107 1 12 . 1 1 64 64 VAL N N 64 120.294 120.294 120.354 -0.060 17628 6108 1 12 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.094 0.289 17628 6109 1 12 . 1 1 64 64 VAL C C 64 174.649 174.649 173.016 1.633 17628 6110 1 12 . 1 1 64 64 VAL CA C 64 62.287 62.287 61.414 0.873 17628 6111 1 12 . 1 1 64 64 VAL CB C 64 33.405 33.405 33.292 0.113 17628 6112 1 12 . 1 1 64 64 VAL H H 64 7.792 7.792 6.963 0.829 17628 6113 1 12 . 1 1 65 65 ASN N N 65 121.166 121.166 126.668 -5.502 17628 6114 1 12 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.761 0.136 17628 6115 1 12 . 1 1 65 65 ASN C C 65 173.716 173.716 173.362 0.354 17628 6116 1 12 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.682 1.226 17628 6117 1 12 . 1 1 65 65 ASN CB C 65 40.357 40.357 40.198 0.159 17628 6118 1 12 . 1 1 65 65 ASN H H 65 8.455 8.455 8.011 0.444 17628 6119 1 12 . 1 1 66 66 HIS N N 66 121.303 121.303 121.521 -0.218 17628 6120 1 12 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.674 -0.623 17628 6121 1 12 . 1 1 66 66 HIS C C 66 172.730 172.730 174.104 -1.374 17628 6122 1 12 . 1 1 66 66 HIS CA C 66 55.764 55.764 53.621 2.143 17628 6123 1 12 . 1 1 66 66 HIS CB C 66 31.856 31.856 29.590 2.266 17628 6124 1 12 . 1 1 66 66 HIS H H 66 8.128 8.128 7.700 0.428 17628 6125 1 12 . 1 1 67 67 TYR N N 67 125.626 125.626 126.174 -0.548 17628 6126 1 12 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.782 0.155 17628 6127 1 12 . 1 1 67 67 TYR C C 67 174.178 174.178 173.798 0.380 17628 6128 1 12 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.097 0.084 17628 6129 1 12 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.332 0.815 17628 6130 1 12 . 1 1 67 67 TYR H H 67 9.065 9.065 8.617 0.448 17628 6131 1 12 . 1 1 68 68 CYS N N 68 123.801 123.801 123.397 0.404 17628 6132 1 12 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.358 0.441 17628 6133 1 12 . 1 1 68 68 CYS C C 68 171.347 171.347 173.776 -2.429 17628 6134 1 12 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.202 -4.307 17628 6135 1 12 . 1 1 68 68 CYS CB C 68 45.198 45.198 28.879 16.319 17628 6136 1 12 . 1 1 68 68 CYS H H 68 7.902 7.902 7.685 0.217 17628 6137 1 12 . 1 1 69 69 CYS N N 69 115.715 115.715 120.651 -4.936 17628 6138 1 12 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.556 0.226 17628 6139 1 12 . 1 1 69 69 CYS C C 69 173.552 173.552 173.719 -0.167 17628 6140 1 12 . 1 1 69 69 CYS CA C 69 54.996 54.996 59.079 -4.083 17628 6141 1 12 . 1 1 69 69 CYS CB C 69 44.900 44.900 31.348 13.552 17628 6142 1 12 . 1 1 69 69 CYS H H 69 8.843 8.843 8.801 0.042 17628 6143 1 12 . 1 1 70 70 ASP N N 70 120.487 120.487 121.890 -1.403 17628 6144 1 12 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.886 0.278 17628 6145 1 12 . 1 1 70 70 ASP C C 70 174.507 174.507 175.059 -0.552 17628 6146 1 12 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.068 0.759 17628 6147 1 12 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.049 1.432 17628 6148 1 12 . 1 1 70 70 ASP H H 70 8.531 8.531 8.703 -0.172 17628 6149 1 12 . 1 1 71 71 SER N N 71 113.179 113.179 113.875 -0.696 17628 6150 1 12 . 1 1 71 71 SER HA H 71 4.896 4.896 4.665 0.231 17628 6151 1 12 . 1 1 71 71 SER C C 71 173.387 173.387 172.846 0.541 17628 6152 1 12 . 1 1 71 71 SER CA C 71 57.709 57.709 56.946 0.763 17628 6153 1 12 . 1 1 71 71 SER CB C 71 66.587 66.587 65.475 1.112 17628 6154 1 12 . 1 1 71 71 SER H H 71 7.641 7.641 7.664 -0.023 17628 6155 1 12 . 1 1 72 72 HIS N N 72 119.348 119.348 119.815 -0.467 17628 6156 1 12 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.514 0.024 17628 6157 1 12 . 1 1 72 72 HIS C C 72 176.173 176.173 175.330 0.843 17628 6158 1 12 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.264 2.470 17628 6159 1 12 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.632 2.144 17628 6160 1 12 . 1 1 72 72 HIS H H 72 8.308 8.308 8.376 -0.068 17628 6161 1 12 . 1 1 73 73 LEU N N 73 123.124 123.124 119.367 3.757 17628 6162 1 12 . 1 1 73 73 LEU HA H 73 3.768 3.768 4.028 -0.260 17628 6163 1 12 . 1 1 73 73 LEU C C 73 178.572 178.572 176.428 2.144 17628 6164 1 12 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.397 1.205 17628 6165 1 12 . 1 1 73 73 LEU CB C 73 40.002 40.002 38.831 1.171 17628 6166 1 12 . 1 1 73 73 LEU H H 73 9.769 9.769 8.774 0.995 17628 6167 1 12 . 1 1 74 74 CYS N N 74 116.789 116.789 119.013 -2.224 17628 6168 1 12 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.510 -0.088 17628 6169 1 12 . 1 1 74 74 CYS C C 74 174.644 174.644 176.367 -1.723 17628 6170 1 12 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.531 -0.971 17628 6171 1 12 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.038 16.230 17628 6172 1 12 . 1 1 74 74 CYS H H 74 8.488 8.488 8.343 0.145 17628 6173 1 12 . 1 1 75 75 ASN N N 75 118.193 118.193 120.033 -1.840 17628 6174 1 12 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.600 -0.182 17628 6175 1 12 . 1 1 75 75 ASN C C 75 175.216 175.216 175.847 -0.631 17628 6176 1 12 . 1 1 75 75 ASN CA C 75 52.578 52.578 55.258 -2.680 17628 6177 1 12 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.738 -0.125 17628 6178 1 12 . 1 1 75 75 ASN H H 75 8.432 8.432 8.264 0.168 17628 6179 1 12 . 1 1 76 76 HIS N N 76 120.329 120.329 119.851 0.478 17628 6180 1 12 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.303 -0.136 17628 6181 1 12 . 1 1 76 76 HIS C C 76 174.631 174.631 174.879 -0.248 17628 6182 1 12 . 1 1 76 76 HIS CA C 76 59.328 59.328 59.938 -0.610 17628 6183 1 12 . 1 1 76 76 HIS CB C 76 29.708 29.708 30.072 -0.364 17628 6184 1 12 . 1 1 76 76 HIS H H 76 7.768 7.768 8.631 -0.863 17628 6185 1 12 . 1 1 77 77 ASN N N 77 115.167 115.167 113.404 1.763 17628 6186 1 12 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.763 -0.205 17628 6187 1 12 . 1 1 77 77 ASN C C 77 174.522 174.522 174.353 0.169 17628 6188 1 12 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.059 0.805 17628 6189 1 12 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.176 0.543 17628 6190 1 12 . 1 1 77 77 ASN H H 77 8.457 8.457 7.737 0.720 17628 6191 1 12 . 1 1 78 78 VAL N N 78 119.202 119.202 121.251 -2.049 17628 6192 1 12 . 1 1 78 78 VAL HA H 78 3.843 3.843 3.916 -0.073 17628 6193 1 12 . 1 1 78 78 VAL C C 78 174.709 174.709 174.707 0.002 17628 6194 1 12 . 1 1 78 78 VAL CA C 78 62.643 62.643 62.808 -0.165 17628 6195 1 12 . 1 1 78 78 VAL CB C 78 33.309 33.309 33.325 -0.016 17628 6196 1 12 . 1 1 78 78 VAL H H 78 6.691 6.691 7.015 -0.324 17628 6197 1 12 . 1 1 79 79 SER HA H 79 4.846 4.846 4.537 0.309 17628 6198 1 12 . 1 1 79 79 SER C C 79 174.082 174.082 173.992 0.090 17628 6199 1 12 . 1 1 79 79 SER CA C 79 56.222 56.222 57.635 -1.413 17628 6200 1 12 . 1 1 79 79 SER CB C 79 64.855 64.855 62.420 2.435 17628 6201 1 12 . 1 1 80 80 LEU N N 80 126.815 126.815 120.671 6.144 17628 6202 1 12 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.583 -0.223 17628 6203 1 12 . 1 1 80 80 LEU C C 80 176.897 176.897 176.242 0.655 17628 6204 1 12 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.641 -0.341 17628 6205 1 12 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.802 -0.131 17628 6206 1 12 . 1 1 80 80 LEU H H 80 9.623 9.623 8.057 1.566 17628 6207 1 12 . 1 1 81 81 VAL N N 81 117.921 117.921 122.649 -4.728 17628 6208 1 12 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.861 0.083 17628 6209 1 12 . 1 1 81 81 VAL C C 81 175.889 175.889 174.879 1.010 17628 6210 1 12 . 1 1 81 81 VAL CA C 81 62.536 62.536 62.733 -0.197 17628 6211 1 12 . 1 1 81 81 VAL CB C 81 32.869 32.869 31.466 1.403 17628 6212 1 12 . 1 1 81 81 VAL H H 81 7.824 7.824 7.814 0.010 17628 6213 1 12 . 1 1 82 82 LEU N N 82 124.533 124.533 130.801 -6.268 17628 6214 1 12 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.456 -0.165 17628 6215 1 12 . 1 1 82 82 LEU C C 82 177.197 177.197 174.564 2.633 17628 6216 1 12 . 1 1 82 82 LEU CA C 82 55.131 55.131 54.825 0.306 17628 6217 1 12 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.303 1.988 17628 6218 1 12 . 1 1 82 82 LEU H H 82 8.059 8.059 8.430 -0.371 17628 6219 1 12 . 1 1 83 83 GLU N N 83 120.926 120.926 122.645 -1.719 17628 6220 1 12 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.319 -0.137 17628 6221 1 12 . 1 1 83 83 GLU C C 83 175.897 175.897 174.598 1.299 17628 6222 1 12 . 1 1 83 83 GLU CA C 83 56.515 56.515 57.069 -0.554 17628 6223 1 12 . 1 1 83 83 GLU CB C 83 30.167 30.167 31.769 -1.602 17628 6224 1 12 . 1 1 83 83 GLU H H 83 8.047 8.047 8.092 -0.045 17628 6225 1 12 . 1 1 84 84 ALA N N 84 124.350 124.350 121.467 2.883 17628 6226 1 12 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.751 -0.447 17628 6227 1 12 . 1 1 84 84 ALA C C 84 177.704 177.704 176.956 0.748 17628 6228 1 12 . 1 1 84 84 ALA CA C 84 52.535 52.535 51.484 1.051 17628 6229 1 12 . 1 1 84 84 ALA CB C 84 19.334 19.334 20.801 -1.467 17628 6230 1 12 . 1 1 84 84 ALA H H 84 8.162 8.162 7.477 0.685 17628 6231 1 12 . 1 1 85 85 THR N N 85 112.934 112.934 113.210 -0.276 17628 6232 1 12 . 1 1 85 85 THR HA H 85 4.264 4.264 4.353 -0.089 17628 6233 1 12 . 1 1 85 85 THR C C 85 174.231 174.231 174.626 -0.395 17628 6234 1 12 . 1 1 85 85 THR CA C 85 61.831 61.831 61.279 0.552 17628 6235 1 12 . 1 1 85 85 THR CB C 85 69.955 69.955 68.695 1.260 17628 6236 1 12 . 1 1 85 85 THR H H 85 7.981 7.981 8.335 -0.354 17628 6237 1 12 . 1 1 86 86 GLN N N 86 123.516 123.516 121.178 2.338 17628 6238 1 12 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.622 -0.012 17628 6239 1 12 . 1 1 86 86 GLN C C 86 173.352 173.352 173.840 -0.488 17628 6240 1 12 . 1 1 86 86 GLN CA C 86 53.606 53.606 52.820 0.786 17628 6241 1 12 . 1 1 86 86 GLN CB C 86 29.094 29.094 28.757 0.337 17628 6242 1 12 . 1 1 86 86 GLN H H 86 8.217 8.217 7.796 0.421 17628 6243 1 12 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.253 0.160 17628 6244 1 12 . 1 1 88 88 PRO C C 88 176.930 176.930 176.109 0.821 17628 6245 1 12 . 1 1 88 88 PRO CA C 88 63.105 63.105 63.879 -0.774 17628 6246 1 12 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.467 -0.307 17628 6247 1 12 . 1 1 89 89 SER N N 89 116.298 116.298 118.072 -1.774 17628 6248 1 12 . 1 1 89 89 SER HA H 89 4.419 4.419 4.381 0.038 17628 6249 1 12 . 1 1 89 89 SER C C 89 174.469 174.469 173.398 1.071 17628 6250 1 12 . 1 1 89 89 SER CA C 89 58.378 58.378 58.462 -0.084 17628 6251 1 12 . 1 1 89 89 SER CB C 89 63.995 63.995 63.098 0.897 17628 6252 1 12 . 1 1 89 89 SER H H 89 8.358 8.358 8.326 0.032 17628 6253 1 12 . 1 1 90 90 GLU N N 90 122.340 122.340 122.285 0.055 17628 6254 1 12 . 1 1 90 90 GLU HA H 90 4.647 4.647 3.913 0.734 17628 6255 1 12 . 1 1 90 90 GLU C C 90 175.971 175.971 174.393 1.578 17628 6256 1 12 . 1 1 90 90 GLU CA C 90 56.350 56.350 58.529 -2.179 17628 6257 1 12 . 1 1 90 90 GLU CB C 90 30.349 30.349 28.660 1.688 17628 6258 1 12 . 1 1 90 90 GLU H H 90 8.338 8.338 8.637 -0.299 17628 6259 1 12 . 1 1 91 91 GLN N N 91 122.043 122.043 121.707 0.336 17628 6260 1 12 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.674 -0.071 17628 6261 1 12 . 1 1 91 91 GLN C C 91 173.879 173.879 173.613 0.266 17628 6262 1 12 . 1 1 91 91 GLN CA C 91 53.624 53.624 53.050 0.574 17628 6263 1 12 . 1 1 91 91 GLN CB C 91 29.090 29.090 29.661 -0.571 17628 6264 1 12 . 1 1 91 91 GLN H H 91 8.317 8.317 8.311 0.006 17628 6265 1 12 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.553 -0.136 17628 6266 1 12 . 1 1 92 92 PRO C C 92 177.488 177.488 176.608 0.880 17628 6267 1 12 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.597 0.786 17628 6268 1 12 . 1 1 92 92 PRO CB C 92 32.153 32.153 31.944 0.209 17628 6269 1 12 . 1 1 93 93 GLY N N 93 109.201 109.201 112.751 -3.550 17628 6270 1 12 . 1 1 93 93 GLY C C 93 174.619 174.619 174.601 0.018 17628 6271 1 12 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.056 0.287 17628 6272 1 12 . 1 1 93 93 GLY H H 93 8.480 8.480 8.785 -0.305 17628 6273 1 12 . 1 1 94 94 THR N N 94 112.828 112.828 115.720 -2.892 17628 6274 1 12 . 1 1 94 94 THR HA H 94 4.356 4.356 4.326 0.030 17628 6275 1 12 . 1 1 94 94 THR C C 94 174.510 174.510 174.208 0.302 17628 6276 1 12 . 1 1 94 94 THR CA C 94 61.816 61.816 62.191 -0.375 17628 6277 1 12 . 1 1 94 94 THR CB C 94 69.913 69.913 69.308 0.605 17628 6278 1 12 . 1 1 94 94 THR H H 94 8.044 8.044 7.835 0.209 17628 6279 1 12 . 1 1 95 95 ASP N N 95 122.173 122.173 119.132 3.041 17628 6280 1 12 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.626 -0.020 17628 6281 1 12 . 1 1 95 95 ASP C C 95 176.584 176.584 174.032 2.552 17628 6282 1 12 . 1 1 95 95 ASP CA C 95 54.631 54.631 53.982 0.649 17628 6283 1 12 . 1 1 95 95 ASP CB C 95 41.067 41.067 42.773 -1.706 17628 6284 1 12 . 1 1 95 95 ASP H H 95 8.413 8.413 8.079 0.334 17628 6285 1 12 . 1 1 96 96 GLY N N 96 109.220 109.220 107.536 1.684 17628 6286 1 12 . 1 1 96 96 GLY C C 96 173.454 173.454 173.418 0.036 17628 6287 1 12 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.627 0.038 17628 6288 1 12 . 1 1 96 96 GLY H H 96 8.290 8.290 8.286 0.004 17628 6289 1 13 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.577 -0.168 17628 6290 1 13 . 1 1 2 2 PRO C C 2 176.726 176.726 176.306 0.420 17628 6291 1 13 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.638 0.383 17628 6292 1 13 . 1 1 2 2 PRO CB C 2 32.135 32.135 30.717 1.418 17628 6293 1 13 . 1 1 3 3 VAL N N 3 120.494 120.494 117.203 3.291 17628 6294 1 13 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.241 -0.247 17628 6295 1 13 . 1 1 3 3 VAL C C 3 175.979 175.979 175.805 0.174 17628 6296 1 13 . 1 1 3 3 VAL CA C 3 62.467 62.467 60.410 2.057 17628 6297 1 13 . 1 1 3 3 VAL CB C 3 32.545 32.545 32.616 -0.071 17628 6298 1 13 . 1 1 3 3 VAL H H 3 8.140 8.140 7.464 0.676 17628 6299 1 13 . 1 1 4 4 LYS N N 4 126.411 126.411 121.711 4.700 17628 6300 1 13 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.504 0.080 17628 6301 1 13 . 1 1 4 4 LYS C C 4 174.350 174.350 174.913 -0.563 17628 6302 1 13 . 1 1 4 4 LYS CA C 4 54.055 54.055 54.292 -0.237 17628 6303 1 13 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.601 0.978 17628 6304 1 13 . 1 1 4 4 LYS H H 4 8.276 8.276 8.381 -0.105 17628 6305 1 13 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.333 0.092 17628 6306 1 13 . 1 1 5 5 PRO C C 5 176.929 176.929 177.126 -0.197 17628 6307 1 13 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.799 -0.604 17628 6308 1 13 . 1 1 5 5 PRO CB C 5 32.088 32.088 31.591 0.497 17628 6309 1 13 . 1 1 6 6 SER N N 6 115.564 115.564 117.794 -2.230 17628 6310 1 13 . 1 1 6 6 SER HA H 6 4.379 4.379 4.228 0.151 17628 6311 1 13 . 1 1 6 6 SER C C 6 174.458 174.458 173.820 0.638 17628 6312 1 13 . 1 1 6 6 SER CA C 6 58.418 58.418 58.956 -0.538 17628 6313 1 13 . 1 1 6 6 SER CB C 6 63.981 63.981 62.365 1.616 17628 6314 1 13 . 1 1 6 6 SER H H 6 8.283 8.283 8.872 -0.589 17628 6315 1 13 . 1 1 7 7 ARG N N 7 122.599 122.599 116.123 6.476 17628 6316 1 13 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.908 0.516 17628 6317 1 13 . 1 1 7 7 ARG C C 7 176.216 176.216 175.555 0.661 17628 6318 1 13 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.057 -0.974 17628 6319 1 13 . 1 1 7 7 ARG CB C 7 31.142 31.142 27.559 3.583 17628 6320 1 13 . 1 1 7 7 ARG H H 7 8.321 8.321 8.210 0.111 17628 6321 1 13 . 1 1 8 8 GLY N N 8 110.092 110.092 105.881 4.211 17628 6322 1 13 . 1 1 8 8 GLY C C 8 171.536 171.536 172.231 -0.695 17628 6323 1 13 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.704 -0.230 17628 6324 1 13 . 1 1 8 8 GLY H H 8 8.248 8.248 7.456 0.792 17628 6325 1 13 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.578 -0.153 17628 6326 1 13 . 1 1 9 9 PRO C C 9 176.675 176.675 176.054 0.621 17628 6327 1 13 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.773 0.428 17628 6328 1 13 . 1 1 9 9 PRO CB C 9 32.242 32.242 32.228 0.014 17628 6329 1 13 . 1 1 10 10 LEU N N 10 120.335 120.335 122.916 -2.581 17628 6330 1 13 . 1 1 10 10 LEU HA H 10 4.515 4.515 5.236 -0.721 17628 6331 1 13 . 1 1 10 10 LEU C C 10 176.413 176.413 176.829 -0.416 17628 6332 1 13 . 1 1 10 10 LEU CA C 10 54.400 54.400 53.808 0.592 17628 6333 1 13 . 1 1 10 10 LEU CB C 10 43.946 43.946 43.650 0.296 17628 6334 1 13 . 1 1 10 10 LEU H H 10 8.018 8.018 8.257 -0.239 17628 6335 1 13 . 1 1 11 11 VAL N N 11 120.543 120.543 124.689 -4.146 17628 6336 1 13 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.455 0.000 17628 6337 1 13 . 1 1 11 11 VAL C C 11 174.141 174.141 175.669 -1.528 17628 6338 1 13 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.253 -0.985 17628 6339 1 13 . 1 1 11 11 VAL CB C 11 35.006 35.006 35.542 -0.536 17628 6340 1 13 . 1 1 11 11 VAL H H 11 9.111 9.111 7.935 1.176 17628 6341 1 13 . 1 1 12 12 THR N N 12 120.707 120.707 123.693 -2.986 17628 6342 1 13 . 1 1 12 12 THR HA H 12 4.883 4.883 5.418 -0.535 17628 6343 1 13 . 1 1 12 12 THR C C 12 173.103 173.103 174.147 -1.044 17628 6344 1 13 . 1 1 12 12 THR CA C 12 62.760 62.760 63.210 -0.450 17628 6345 1 13 . 1 1 12 12 THR CB C 12 69.037 69.037 70.016 -0.979 17628 6346 1 13 . 1 1 12 12 THR H H 12 8.886 8.886 8.535 0.351 17628 6347 1 13 . 1 1 13 13 CYS N N 13 124.651 124.651 123.672 0.979 17628 6348 1 13 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.915 -0.033 17628 6349 1 13 . 1 1 13 13 CYS C C 13 174.463 174.463 174.507 -0.044 17628 6350 1 13 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.239 -6.117 17628 6351 1 13 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.475 10.932 17628 6352 1 13 . 1 1 13 13 CYS H H 13 9.165 9.165 8.480 0.685 17628 6353 1 13 . 1 1 14 14 THR N N 14 121.496 121.496 117.940 3.556 17628 6354 1 13 . 1 1 14 14 THR HA H 14 4.001 4.001 4.159 -0.158 17628 6355 1 13 . 1 1 14 14 THR C C 14 172.453 172.453 173.936 -1.483 17628 6356 1 13 . 1 1 14 14 THR CA C 14 66.024 66.024 64.906 1.118 17628 6357 1 13 . 1 1 14 14 THR CB C 14 69.319 69.319 69.288 0.031 17628 6358 1 13 . 1 1 14 14 THR H H 14 8.931 8.931 8.502 0.429 17628 6359 1 13 . 1 1 15 15 CYS N N 15 129.296 129.296 126.468 2.828 17628 6360 1 13 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.753 -0.719 17628 6361 1 13 . 1 1 15 15 CYS C C 15 174.111 174.111 172.722 1.389 17628 6362 1 13 . 1 1 15 15 CYS CA C 15 57.007 57.007 56.010 0.997 17628 6363 1 13 . 1 1 15 15 CYS CB C 15 37.153 37.153 31.363 5.790 17628 6364 1 13 . 1 1 15 15 CYS H H 15 8.227 8.227 8.906 -0.679 17628 6365 1 13 . 1 1 16 16 GLU N N 16 127.625 127.625 126.321 1.304 17628 6366 1 13 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.791 -0.278 17628 6367 1 13 . 1 1 16 16 GLU C C 16 173.185 173.185 175.359 -2.174 17628 6368 1 13 . 1 1 16 16 GLU CA C 16 56.082 56.082 56.093 -0.011 17628 6369 1 13 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.208 0.842 17628 6370 1 13 . 1 1 16 16 GLU H H 16 9.106 9.106 8.278 0.828 17628 6371 1 13 . 1 1 17 17 SER N N 17 123.384 123.384 118.010 5.374 17628 6372 1 13 . 1 1 17 17 SER HA H 17 4.503 4.503 3.919 0.584 17628 6373 1 13 . 1 1 17 17 SER C C 17 172.946 172.946 171.724 1.222 17628 6374 1 13 . 1 1 17 17 SER CA C 17 57.341 57.341 59.386 -2.045 17628 6375 1 13 . 1 1 17 17 SER CB C 17 63.379 63.379 62.028 1.351 17628 6376 1 13 . 1 1 17 17 SER H H 17 7.770 7.770 8.750 -0.980 17628 6377 1 13 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.591 -0.239 17628 6378 1 13 . 1 1 18 18 PRO C C 18 176.600 176.600 176.431 0.169 17628 6379 1 13 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.668 0.759 17628 6380 1 13 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.333 -0.326 17628 6381 1 13 . 1 1 19 19 HIS N N 19 113.110 113.110 113.900 -0.790 17628 6382 1 13 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.870 -0.192 17628 6383 1 13 . 1 1 19 19 HIS C C 19 175.396 175.396 173.681 1.715 17628 6384 1 13 . 1 1 19 19 HIS CA C 19 55.029 55.029 54.521 0.508 17628 6385 1 13 . 1 1 19 19 HIS CB C 19 29.408 29.408 28.666 0.742 17628 6386 1 13 . 1 1 19 19 HIS H H 19 7.898 7.898 7.669 0.229 17628 6387 1 13 . 1 1 20 20 CYS N N 20 119.283 119.283 117.314 1.969 17628 6388 1 13 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.650 -0.286 17628 6389 1 13 . 1 1 20 20 CYS C C 20 174.956 174.956 173.737 1.219 17628 6390 1 13 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.420 0.344 17628 6391 1 13 . 1 1 20 20 CYS CB C 20 42.002 42.002 30.658 11.344 17628 6392 1 13 . 1 1 20 20 CYS H H 20 7.305 7.305 7.462 -0.157 17628 6393 1 13 . 1 1 21 21 LYS N N 21 124.199 124.199 125.527 -1.328 17628 6394 1 13 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.435 -0.032 17628 6395 1 13 . 1 1 21 21 LYS C C 21 175.650 175.650 176.545 -0.895 17628 6396 1 13 . 1 1 21 21 LYS CA C 21 56.112 56.112 55.441 0.671 17628 6397 1 13 . 1 1 21 21 LYS CB C 21 32.166 32.166 31.254 0.912 17628 6398 1 13 . 1 1 21 21 LYS H H 21 8.851 8.851 8.555 0.296 17628 6399 1 13 . 1 1 22 22 GLY N N 22 108.943 108.943 110.533 -1.590 17628 6400 1 13 . 1 1 22 22 GLY C C 22 171.467 171.467 172.222 -0.755 17628 6401 1 13 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.995 -1.558 17628 6402 1 13 . 1 1 22 22 GLY H H 22 7.768 7.768 8.101 -0.333 17628 6403 1 13 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.870 -0.056 17628 6404 1 13 . 1 1 23 23 PRO C C 23 177.578 177.578 175.228 2.350 17628 6405 1 13 . 1 1 23 23 PRO CA C 23 64.210 64.210 63.936 0.274 17628 6406 1 13 . 1 1 23 23 PRO CB C 23 32.385 32.385 33.116 -0.731 17628 6407 1 13 . 1 1 24 24 THR N N 24 108.931 108.931 109.359 -0.428 17628 6408 1 13 . 1 1 24 24 THR HA H 24 5.358 5.358 4.921 0.437 17628 6409 1 13 . 1 1 24 24 THR C C 24 173.043 173.043 173.683 -0.640 17628 6410 1 13 . 1 1 24 24 THR CA C 24 59.041 59.041 60.386 -1.345 17628 6411 1 13 . 1 1 24 24 THR CB C 24 73.255 73.255 71.803 1.452 17628 6412 1 13 . 1 1 24 24 THR H H 24 7.599 7.599 7.934 -0.335 17628 6413 1 13 . 1 1 25 25 CYS N N 25 115.152 115.152 119.329 -4.177 17628 6414 1 13 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.817 0.049 17628 6415 1 13 . 1 1 25 25 CYS C C 25 171.952 171.952 173.062 -1.110 17628 6416 1 13 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.138 -3.651 17628 6417 1 13 . 1 1 25 25 CYS CB C 25 46.385 46.385 31.371 15.014 17628 6418 1 13 . 1 1 25 25 CYS H H 25 8.872 8.872 8.402 0.470 17628 6419 1 13 . 1 1 26 26 ARG N N 26 119.551 119.551 123.738 -4.187 17628 6420 1 13 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.573 1.004 17628 6421 1 13 . 1 1 26 26 ARG C C 26 176.621 176.621 176.331 0.290 17628 6422 1 13 . 1 1 26 26 ARG CA C 26 54.125 54.125 55.940 -1.815 17628 6423 1 13 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.285 2.303 17628 6424 1 13 . 1 1 26 26 ARG H H 26 8.481 8.481 8.735 -0.254 17628 6425 1 13 . 1 1 27 27 GLY N N 27 111.192 111.192 112.743 -1.551 17628 6426 1 13 . 1 1 27 27 GLY C C 27 170.250 170.250 173.423 -3.173 17628 6427 1 13 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.138 -0.005 17628 6428 1 13 . 1 1 27 27 GLY H H 27 8.866 8.866 8.656 0.210 17628 6429 1 13 . 1 1 28 28 ALA N N 28 123.763 123.763 122.484 1.279 17628 6430 1 13 . 1 1 28 28 ALA HA H 28 4.413 4.413 5.561 -1.148 17628 6431 1 13 . 1 1 28 28 ALA C C 28 177.525 177.525 176.268 1.257 17628 6432 1 13 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.079 3.638 17628 6433 1 13 . 1 1 28 28 ALA CB C 28 19.214 19.214 22.251 -3.037 17628 6434 1 13 . 1 1 28 28 ALA H H 28 7.732 7.732 8.231 -0.499 17628 6435 1 13 . 1 1 29 29 TRP N N 29 112.576 112.576 114.790 -2.214 17628 6436 1 13 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.848 -0.208 17628 6437 1 13 . 1 1 29 29 TRP C C 29 172.901 172.901 173.381 -0.480 17628 6438 1 13 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.866 3.896 17628 6439 1 13 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.395 0.211 17628 6440 1 13 . 1 1 29 29 TRP H H 29 7.830 7.830 7.701 0.129 17628 6441 1 13 . 1 1 30 30 CYS N N 30 116.421 116.421 121.475 -5.054 17628 6442 1 13 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.478 0.416 17628 6443 1 13 . 1 1 30 30 CYS C C 30 176.719 176.719 174.928 1.791 17628 6444 1 13 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.514 -6.817 17628 6445 1 13 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.588 10.666 17628 6446 1 13 . 1 1 30 30 CYS H H 30 9.319 9.319 8.515 0.804 17628 6447 1 13 . 1 1 31 31 THR N N 31 110.073 110.073 118.549 -8.476 17628 6448 1 13 . 1 1 31 31 THR HA H 31 5.917 5.917 5.454 0.463 17628 6449 1 13 . 1 1 31 31 THR C C 31 177.249 177.249 173.528 3.721 17628 6450 1 13 . 1 1 31 31 THR CA C 31 59.845 59.845 60.269 -0.424 17628 6451 1 13 . 1 1 31 31 THR CB C 31 72.586 72.586 70.999 1.587 17628 6452 1 13 . 1 1 31 31 THR H H 31 8.936 8.936 9.397 -0.461 17628 6453 1 13 . 1 1 32 32 VAL N N 32 122.685 122.685 119.155 3.530 17628 6454 1 13 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.192 -0.430 17628 6455 1 13 . 1 1 32 32 VAL C C 32 173.813 173.813 173.770 0.043 17628 6456 1 13 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.094 4.625 17628 6457 1 13 . 1 1 32 32 VAL CB C 32 34.872 34.872 35.252 -0.380 17628 6458 1 13 . 1 1 32 32 VAL H H 32 8.841 8.841 9.220 -0.379 17628 6459 1 13 . 1 1 33 33 VAL N N 33 124.915 124.915 117.808 7.107 17628 6460 1 13 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.942 -0.155 17628 6461 1 13 . 1 1 33 33 VAL C C 33 174.014 174.014 174.326 -0.312 17628 6462 1 13 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.284 0.178 17628 6463 1 13 . 1 1 33 33 VAL CB C 33 35.688 35.688 35.017 0.671 17628 6464 1 13 . 1 1 33 33 VAL H H 33 9.047 9.047 8.362 0.685 17628 6465 1 13 . 1 1 34 34 LEU N N 34 127.771 127.771 129.070 -1.299 17628 6466 1 13 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.805 0.084 17628 6467 1 13 . 1 1 34 34 LEU C C 34 175.433 175.433 175.635 -0.202 17628 6468 1 13 . 1 1 34 34 LEU CA C 34 54.015 54.015 54.132 -0.117 17628 6469 1 13 . 1 1 34 34 LEU CB C 34 44.427 44.427 42.486 1.941 17628 6470 1 13 . 1 1 34 34 LEU H H 34 8.450 8.450 8.386 0.064 17628 6471 1 13 . 1 1 35 35 VAL N N 35 125.904 125.904 127.670 -1.766 17628 6472 1 13 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.125 0.251 17628 6473 1 13 . 1 1 35 35 VAL C C 35 175.098 175.098 175.621 -0.523 17628 6474 1 13 . 1 1 35 35 VAL CA C 35 61.301 61.301 60.899 0.402 17628 6475 1 13 . 1 1 35 35 VAL CB C 35 34.190 34.190 32.698 1.492 17628 6476 1 13 . 1 1 35 35 VAL H H 35 8.868 8.868 8.824 0.044 17628 6477 1 13 . 1 1 36 36 ARG N N 36 127.282 127.282 127.255 0.027 17628 6478 1 13 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.548 -0.032 17628 6479 1 13 . 1 1 36 36 ARG C C 36 175.068 175.068 175.907 -0.839 17628 6480 1 13 . 1 1 36 36 ARG CA C 36 55.524 55.524 54.864 0.660 17628 6481 1 13 . 1 1 36 36 ARG CB C 36 31.603 31.603 29.077 2.526 17628 6482 1 13 . 1 1 36 36 ARG H H 36 8.665 8.665 8.761 -0.096 17628 6483 1 13 . 1 1 37 37 GLU N N 37 124.628 124.628 126.741 -2.113 17628 6484 1 13 . 1 1 37 37 GLU HA H 37 4.398 4.398 3.981 0.417 17628 6485 1 13 . 1 1 37 37 GLU C C 37 175.762 175.762 176.289 -0.527 17628 6486 1 13 . 1 1 37 37 GLU CA C 37 55.477 55.477 57.732 -2.255 17628 6487 1 13 . 1 1 37 37 GLU CB C 37 31.724 31.724 30.066 1.658 17628 6488 1 13 . 1 1 37 37 GLU H H 37 8.458 8.458 8.410 0.048 17628 6489 1 13 . 1 1 38 38 GLU N N 38 123.236 123.236 124.229 -0.993 17628 6490 1 13 . 1 1 38 38 GLU HA H 38 4.028 4.028 3.948 0.080 17628 6491 1 13 . 1 1 38 38 GLU C C 38 177.354 177.354 175.910 1.444 17628 6492 1 13 . 1 1 38 38 GLU CA C 38 57.924 57.924 57.437 0.487 17628 6493 1 13 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.878 0.392 17628 6494 1 13 . 1 1 38 38 GLU H H 38 8.628 8.628 8.811 -0.183 17628 6495 1 13 . 1 1 39 39 GLY N N 39 111.764 111.764 111.921 -0.157 17628 6496 1 13 . 1 1 39 39 GLY C C 39 173.954 173.954 173.657 0.297 17628 6497 1 13 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.849 -0.257 17628 6498 1 13 . 1 1 39 39 GLY H H 39 8.670 8.670 8.541 0.129 17628 6499 1 13 . 1 1 40 40 ARG N N 40 118.313 118.313 122.686 -4.373 17628 6500 1 13 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.478 0.112 17628 6501 1 13 . 1 1 40 40 ARG C C 40 175.874 175.874 175.930 -0.056 17628 6502 1 13 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.110 -1.525 17628 6503 1 13 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.411 1.091 17628 6504 1 13 . 1 1 40 40 ARG H H 40 7.905 7.905 7.766 0.139 17628 6505 1 13 . 1 1 41 41 HIS N N 41 120.013 120.013 122.139 -2.126 17628 6506 1 13 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.870 -0.015 17628 6507 1 13 . 1 1 41 41 HIS C C 41 173.290 173.290 173.838 -0.548 17628 6508 1 13 . 1 1 41 41 HIS CA C 41 54.206 54.206 55.270 -1.064 17628 6509 1 13 . 1 1 41 41 HIS CB C 41 28.189 28.189 29.327 -1.138 17628 6510 1 13 . 1 1 41 41 HIS H H 41 8.512 8.512 7.627 0.885 17628 6511 1 13 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.849 -0.209 17628 6512 1 13 . 1 1 42 42 PRO C C 42 175.777 175.777 175.577 0.200 17628 6513 1 13 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.005 1.515 17628 6514 1 13 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.818 -0.325 17628 6515 1 13 . 1 1 43 43 GLN N N 43 120.474 120.474 122.530 -2.056 17628 6516 1 13 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.694 -0.097 17628 6517 1 13 . 1 1 43 43 GLN C C 43 173.963 173.963 174.399 -0.436 17628 6518 1 13 . 1 1 43 43 GLN CA C 43 54.484 54.484 53.760 0.724 17628 6519 1 13 . 1 1 43 43 GLN CB C 43 32.563 32.563 31.355 1.208 17628 6520 1 13 . 1 1 43 43 GLN H H 43 8.524 8.524 9.167 -0.643 17628 6521 1 13 . 1 1 44 44 GLU N N 44 122.323 122.323 126.238 -3.915 17628 6522 1 13 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.329 0.758 17628 6523 1 13 . 1 1 44 44 GLU C C 44 175.650 175.650 175.614 0.036 17628 6524 1 13 . 1 1 44 44 GLU CA C 44 55.435 55.435 55.452 -0.017 17628 6525 1 13 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.352 2.186 17628 6526 1 13 . 1 1 44 44 GLU H H 44 8.751 8.751 8.784 -0.033 17628 6527 1 13 . 1 1 45 45 HIS N N 45 122.818 122.818 126.051 -3.233 17628 6528 1 13 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.216 0.173 17628 6529 1 13 . 1 1 45 45 HIS C C 45 174.918 174.918 174.330 0.588 17628 6530 1 13 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.556 -1.397 17628 6531 1 13 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.206 2.184 17628 6532 1 13 . 1 1 45 45 HIS H H 45 9.202 9.202 8.899 0.303 17628 6533 1 13 . 1 1 46 46 ARG N N 46 122.260 122.260 123.386 -1.126 17628 6534 1 13 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.218 -0.001 17628 6535 1 13 . 1 1 46 46 ARG C C 46 176.255 176.255 174.620 1.635 17628 6536 1 13 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.343 0.501 17628 6537 1 13 . 1 1 46 46 ARG CB C 46 32.393 32.393 33.716 -1.323 17628 6538 1 13 . 1 1 46 46 ARG H H 46 8.847 8.847 8.508 0.339 17628 6539 1 13 . 1 1 47 47 GLY N N 47 114.135 114.135 109.419 4.716 17628 6540 1 13 . 1 1 47 47 GLY C C 47 171.175 171.175 172.024 -0.849 17628 6541 1 13 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.568 2.104 17628 6542 1 13 . 1 1 47 47 GLY H H 47 8.210 8.210 9.228 -1.018 17628 6543 1 13 . 1 1 48 48 CYS N N 48 118.698 118.698 120.466 -1.768 17628 6544 1 13 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.815 -0.623 17628 6545 1 13 . 1 1 48 48 CYS C C 48 173.522 173.522 176.296 -2.774 17628 6546 1 13 . 1 1 48 48 CYS CA C 48 58.600 58.600 55.863 2.737 17628 6547 1 13 . 1 1 48 48 CYS CB C 48 44.933 44.933 27.443 17.490 17628 6548 1 13 . 1 1 48 48 CYS H H 48 8.322 8.322 8.482 -0.160 17628 6549 1 13 . 1 1 49 49 GLY N N 49 112.213 112.213 112.841 -0.628 17628 6550 1 13 . 1 1 49 49 GLY C C 49 170.413 170.413 173.772 -3.359 17628 6551 1 13 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.404 -2.300 17628 6552 1 13 . 1 1 49 49 GLY H H 49 8.679 8.679 8.986 -0.307 17628 6553 1 13 . 1 1 50 50 ASN N N 50 115.420 115.420 122.864 -7.444 17628 6554 1 13 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.682 -0.654 17628 6555 1 13 . 1 1 50 50 ASN C C 50 173.574 173.574 175.404 -1.830 17628 6556 1 13 . 1 1 50 50 ASN CA C 50 54.381 54.381 54.598 -0.217 17628 6557 1 13 . 1 1 50 50 ASN CB C 50 42.721 42.721 39.275 3.446 17628 6558 1 13 . 1 1 50 50 ASN H H 50 8.103 8.103 8.587 -0.484 17628 6559 1 13 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.467 0.188 17628 6560 1 13 . 1 1 51 51 LEU C C 51 176.323 176.323 175.198 1.125 17628 6561 1 13 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.096 0.303 17628 6562 1 13 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.882 3.724 17628 6563 1 13 . 1 1 52 52 HIS N N 52 115.835 115.835 117.070 -1.235 17628 6564 1 13 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.787 0.201 17628 6565 1 13 . 1 1 52 52 HIS C C 52 176.442 176.442 174.896 1.546 17628 6566 1 13 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.349 0.634 17628 6567 1 13 . 1 1 52 52 HIS CB C 52 26.270 26.270 31.871 -5.601 17628 6568 1 13 . 1 1 52 52 HIS H H 52 8.904 8.904 7.655 1.249 17628 6569 1 13 . 1 1 53 53 ARG N N 53 124.169 124.169 126.008 -1.839 17628 6570 1 13 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.400 -1.080 17628 6571 1 13 . 1 1 53 53 ARG C C 53 177.862 177.862 177.020 0.842 17628 6572 1 13 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.226 0.132 17628 6573 1 13 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.575 -0.921 17628 6574 1 13 . 1 1 53 53 ARG H H 53 8.876 8.876 8.845 0.031 17628 6575 1 13 . 1 1 54 54 GLU N N 54 118.465 118.465 120.180 -1.715 17628 6576 1 13 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.053 -0.020 17628 6577 1 13 . 1 1 54 54 GLU C C 54 177.704 177.704 177.557 0.147 17628 6578 1 13 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.357 0.386 17628 6579 1 13 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.146 -1.202 17628 6580 1 13 . 1 1 54 54 GLU H H 54 9.759 9.759 8.708 1.051 17628 6581 1 13 . 1 1 55 55 LEU N N 55 120.238 120.238 118.053 2.185 17628 6582 1 13 . 1 1 55 55 LEU HA H 55 4.056 4.056 3.562 0.494 17628 6583 1 13 . 1 1 55 55 LEU C C 55 177.601 177.601 176.278 1.323 17628 6584 1 13 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.281 0.601 17628 6585 1 13 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.383 -0.158 17628 6586 1 13 . 1 1 55 55 LEU H H 55 7.351 7.351 7.584 -0.233 17628 6587 1 13 . 1 1 56 56 CYS N N 56 115.234 115.234 116.367 -1.133 17628 6588 1 13 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.595 -0.334 17628 6589 1 13 . 1 1 56 56 CYS C C 56 175.060 175.060 173.787 1.273 17628 6590 1 13 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.159 -1.276 17628 6591 1 13 . 1 1 56 56 CYS CB C 56 38.516 38.516 27.478 11.038 17628 6592 1 13 . 1 1 56 56 CYS H H 56 7.640 7.640 7.347 0.293 17628 6593 1 13 . 1 1 57 57 ARG N N 57 119.272 119.272 122.511 -3.239 17628 6594 1 13 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.592 -0.108 17628 6595 1 13 . 1 1 57 57 ARG C C 57 176.114 176.114 175.514 0.600 17628 6596 1 13 . 1 1 57 57 ARG CA C 57 55.323 55.323 54.072 1.251 17628 6597 1 13 . 1 1 57 57 ARG CB C 57 31.650 31.650 31.485 0.165 17628 6598 1 13 . 1 1 57 57 ARG H H 57 7.626 7.626 7.982 -0.356 17628 6599 1 13 . 1 1 58 58 GLY N N 58 108.813 108.813 110.702 -1.889 17628 6600 1 13 . 1 1 58 58 GLY C C 58 173.663 173.663 173.691 -0.028 17628 6601 1 13 . 1 1 58 58 GLY CA C 58 45.357 45.357 44.723 0.634 17628 6602 1 13 . 1 1 58 58 GLY H H 58 8.139 8.139 8.619 -0.480 17628 6603 1 13 . 1 1 59 59 ARG N N 59 121.042 121.042 123.840 -2.798 17628 6604 1 13 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.697 0.059 17628 6605 1 13 . 1 1 59 59 ARG C C 59 174.784 174.784 173.843 0.941 17628 6606 1 13 . 1 1 59 59 ARG CA C 59 53.834 53.834 52.960 0.874 17628 6607 1 13 . 1 1 59 59 ARG CB C 59 30.716 30.716 32.491 -1.775 17628 6608 1 13 . 1 1 59 59 ARG H H 59 8.216 8.216 8.376 -0.160 17628 6609 1 13 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.183 0.291 17628 6610 1 13 . 1 1 60 60 PRO C C 60 176.726 176.726 175.547 1.179 17628 6611 1 13 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.843 0.006 17628 6612 1 13 . 1 1 60 60 PRO CB C 60 31.909 31.909 31.351 0.558 17628 6613 1 13 . 1 1 61 61 THR N N 61 110.945 110.945 117.885 -6.940 17628 6614 1 13 . 1 1 61 61 THR HA H 61 4.426 4.426 4.255 0.171 17628 6615 1 13 . 1 1 61 61 THR C C 61 174.238 174.238 175.084 -0.846 17628 6616 1 13 . 1 1 61 61 THR CA C 61 61.219 61.219 61.992 -0.773 17628 6617 1 13 . 1 1 61 61 THR CB C 61 70.449 70.449 69.156 1.293 17628 6618 1 13 . 1 1 61 61 THR H H 61 7.940 7.940 7.707 0.233 17628 6619 1 13 . 1 1 62 62 GLU N N 62 119.936 119.936 122.876 -2.940 17628 6620 1 13 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.259 -0.089 17628 6621 1 13 . 1 1 62 62 GLU C C 62 175.889 175.889 175.366 0.523 17628 6622 1 13 . 1 1 62 62 GLU CA C 62 57.090 57.090 55.770 1.320 17628 6623 1 13 . 1 1 62 62 GLU CB C 62 30.109 30.109 28.222 1.887 17628 6624 1 13 . 1 1 62 62 GLU H H 62 8.342 8.342 8.662 -0.320 17628 6625 1 13 . 1 1 63 63 PHE N N 63 117.934 117.934 115.652 2.282 17628 6626 1 13 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.002 0.597 17628 6627 1 13 . 1 1 63 63 PHE C C 63 175.367 175.367 175.367 0.000 17628 6628 1 13 . 1 1 63 63 PHE CA C 63 58.150 58.150 58.342 -0.192 17628 6629 1 13 . 1 1 63 63 PHE CB C 63 39.511 39.511 36.910 2.601 17628 6630 1 13 . 1 1 63 63 PHE H H 63 8.137 8.137 7.288 0.849 17628 6631 1 13 . 1 1 64 64 VAL N N 64 120.294 120.294 117.523 2.771 17628 6632 1 13 . 1 1 64 64 VAL HA H 64 4.383 4.383 3.718 0.665 17628 6633 1 13 . 1 1 64 64 VAL C C 64 174.649 174.649 175.488 -0.839 17628 6634 1 13 . 1 1 64 64 VAL CA C 64 62.287 62.287 63.716 -1.429 17628 6635 1 13 . 1 1 64 64 VAL CB C 64 33.405 33.405 32.425 0.980 17628 6636 1 13 . 1 1 64 64 VAL H H 64 7.792 7.792 7.721 0.071 17628 6637 1 13 . 1 1 65 65 ASN N N 65 121.166 121.166 127.661 -6.495 17628 6638 1 13 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.860 0.037 17628 6639 1 13 . 1 1 65 65 ASN C C 65 173.716 173.716 173.837 -0.121 17628 6640 1 13 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.584 1.324 17628 6641 1 13 . 1 1 65 65 ASN CB C 65 40.357 40.357 38.496 1.861 17628 6642 1 13 . 1 1 65 65 ASN H H 65 8.455 8.455 8.577 -0.122 17628 6643 1 13 . 1 1 66 66 HIS N N 66 121.303 121.303 125.622 -4.319 17628 6644 1 13 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.119 -0.068 17628 6645 1 13 . 1 1 66 66 HIS C C 66 172.730 172.730 174.796 -2.066 17628 6646 1 13 . 1 1 66 66 HIS CA C 66 55.764 55.764 55.919 -0.155 17628 6647 1 13 . 1 1 66 66 HIS CB C 66 31.856 31.856 29.183 2.673 17628 6648 1 13 . 1 1 66 66 HIS H H 66 8.128 8.128 8.595 -0.467 17628 6649 1 13 . 1 1 67 67 TYR N N 67 125.626 125.626 128.403 -2.777 17628 6650 1 13 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.680 0.257 17628 6651 1 13 . 1 1 67 67 TYR C C 67 174.178 174.178 173.664 0.514 17628 6652 1 13 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.772 -0.591 17628 6653 1 13 . 1 1 67 67 TYR CB C 67 42.147 42.147 40.472 1.675 17628 6654 1 13 . 1 1 67 67 TYR H H 67 9.065 9.065 8.904 0.161 17628 6655 1 13 . 1 1 68 68 CYS N N 68 123.801 123.801 122.482 1.319 17628 6656 1 13 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.229 0.570 17628 6657 1 13 . 1 1 68 68 CYS C C 68 171.347 171.347 173.469 -2.122 17628 6658 1 13 . 1 1 68 68 CYS CA C 68 51.895 51.895 54.413 -2.518 17628 6659 1 13 . 1 1 68 68 CYS CB C 68 45.198 45.198 28.385 16.813 17628 6660 1 13 . 1 1 68 68 CYS H H 68 7.902 7.902 7.896 0.006 17628 6661 1 13 . 1 1 69 69 CYS N N 69 115.715 115.715 120.297 -4.582 17628 6662 1 13 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.626 0.156 17628 6663 1 13 . 1 1 69 69 CYS C C 69 173.552 173.552 173.279 0.273 17628 6664 1 13 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.028 -3.032 17628 6665 1 13 . 1 1 69 69 CYS CB C 69 44.900 44.900 31.516 13.384 17628 6666 1 13 . 1 1 69 69 CYS H H 69 8.843 8.843 8.693 0.150 17628 6667 1 13 . 1 1 70 70 ASP N N 70 120.487 120.487 122.125 -1.638 17628 6668 1 13 . 1 1 70 70 ASP HA H 70 5.164 5.164 5.035 0.129 17628 6669 1 13 . 1 1 70 70 ASP C C 70 174.507 174.507 174.576 -0.069 17628 6670 1 13 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.832 -0.005 17628 6671 1 13 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.440 1.041 17628 6672 1 13 . 1 1 70 70 ASP H H 70 8.531 8.531 8.880 -0.349 17628 6673 1 13 . 1 1 71 71 SER N N 71 113.179 113.179 113.413 -0.234 17628 6674 1 13 . 1 1 71 71 SER HA H 71 4.896 4.896 4.708 0.188 17628 6675 1 13 . 1 1 71 71 SER C C 71 173.387 173.387 173.069 0.318 17628 6676 1 13 . 1 1 71 71 SER CA C 71 57.709 57.709 56.682 1.026 17628 6677 1 13 . 1 1 71 71 SER CB C 71 66.587 66.587 65.797 0.790 17628 6678 1 13 . 1 1 71 71 SER H H 71 7.641 7.641 7.612 0.029 17628 6679 1 13 . 1 1 72 72 HIS N N 72 119.348 119.348 120.173 -0.825 17628 6680 1 13 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.595 -0.057 17628 6681 1 13 . 1 1 72 72 HIS C C 72 176.173 176.173 175.839 0.334 17628 6682 1 13 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.289 2.445 17628 6683 1 13 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.784 1.992 17628 6684 1 13 . 1 1 72 72 HIS H H 72 8.308 8.308 8.428 -0.120 17628 6685 1 13 . 1 1 73 73 LEU N N 73 123.124 123.124 118.438 4.686 17628 6686 1 13 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.998 -0.230 17628 6687 1 13 . 1 1 73 73 LEU C C 73 178.572 178.572 176.108 2.464 17628 6688 1 13 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.385 1.217 17628 6689 1 13 . 1 1 73 73 LEU CB C 73 40.002 40.002 38.841 1.161 17628 6690 1 13 . 1 1 73 73 LEU H H 73 9.769 9.769 9.015 0.754 17628 6691 1 13 . 1 1 74 74 CYS N N 74 116.789 116.789 118.104 -1.315 17628 6692 1 13 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.470 -0.048 17628 6693 1 13 . 1 1 74 74 CYS C C 74 174.644 174.644 175.934 -1.290 17628 6694 1 13 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.298 -0.738 17628 6695 1 13 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.285 15.983 17628 6696 1 13 . 1 1 74 74 CYS H H 74 8.488 8.488 8.119 0.369 17628 6697 1 13 . 1 1 75 75 ASN N N 75 118.193 118.193 119.826 -1.633 17628 6698 1 13 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.726 -0.308 17628 6699 1 13 . 1 1 75 75 ASN C C 75 175.216 175.216 176.672 -1.456 17628 6700 1 13 . 1 1 75 75 ASN CA C 75 52.578 52.578 55.269 -2.691 17628 6701 1 13 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.322 0.291 17628 6702 1 13 . 1 1 75 75 ASN H H 75 8.432 8.432 7.991 0.441 17628 6703 1 13 . 1 1 76 76 HIS N N 76 120.329 120.329 120.694 -0.365 17628 6704 1 13 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.337 -0.170 17628 6705 1 13 . 1 1 76 76 HIS C C 76 174.631 174.631 174.989 -0.358 17628 6706 1 13 . 1 1 76 76 HIS CA C 76 59.328 59.328 59.172 0.156 17628 6707 1 13 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.912 -0.204 17628 6708 1 13 . 1 1 76 76 HIS H H 76 7.768 7.768 8.498 -0.730 17628 6709 1 13 . 1 1 77 77 ASN N N 77 115.167 115.167 114.477 0.690 17628 6710 1 13 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.614 -0.056 17628 6711 1 13 . 1 1 77 77 ASN C C 77 174.522 174.522 174.515 0.007 17628 6712 1 13 . 1 1 77 77 ASN CA C 77 52.864 52.864 51.994 0.870 17628 6713 1 13 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.584 0.135 17628 6714 1 13 . 1 1 77 77 ASN H H 77 8.457 8.457 8.073 0.384 17628 6715 1 13 . 1 1 78 78 VAL N N 78 119.202 119.202 120.266 -1.064 17628 6716 1 13 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.149 -0.306 17628 6717 1 13 . 1 1 78 78 VAL C C 78 174.709 174.709 173.741 0.968 17628 6718 1 13 . 1 1 78 78 VAL CA C 78 62.643 62.643 62.785 -0.141 17628 6719 1 13 . 1 1 78 78 VAL CB C 78 33.309 33.309 33.107 0.202 17628 6720 1 13 . 1 1 78 78 VAL H H 78 6.691 6.691 7.532 -0.841 17628 6721 1 13 . 1 1 79 79 SER HA H 79 4.846 4.846 4.628 0.218 17628 6722 1 13 . 1 1 79 79 SER C C 79 174.082 174.082 173.843 0.239 17628 6723 1 13 . 1 1 79 79 SER CA C 79 56.222 56.222 57.263 -1.041 17628 6724 1 13 . 1 1 79 79 SER CB C 79 64.855 64.855 64.825 0.030 17628 6725 1 13 . 1 1 80 80 LEU N N 80 126.815 126.815 127.222 -0.407 17628 6726 1 13 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.461 -0.101 17628 6727 1 13 . 1 1 80 80 LEU C C 80 176.897 176.897 175.660 1.237 17628 6728 1 13 . 1 1 80 80 LEU CA C 80 54.300 54.300 53.559 0.741 17628 6729 1 13 . 1 1 80 80 LEU CB C 80 42.671 42.671 40.147 2.524 17628 6730 1 13 . 1 1 80 80 LEU H H 80 9.623 9.623 8.744 0.879 17628 6731 1 13 . 1 1 81 81 VAL N N 81 117.921 117.921 123.427 -5.506 17628 6732 1 13 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.978 -0.034 17628 6733 1 13 . 1 1 81 81 VAL C C 81 175.889 175.889 175.405 0.484 17628 6734 1 13 . 1 1 81 81 VAL CA C 81 62.536 62.536 61.000 1.536 17628 6735 1 13 . 1 1 81 81 VAL CB C 81 32.869 32.869 31.678 1.190 17628 6736 1 13 . 1 1 81 81 VAL H H 81 7.824 7.824 7.545 0.279 17628 6737 1 13 . 1 1 82 82 LEU N N 82 124.533 124.533 130.904 -6.371 17628 6738 1 13 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.123 0.168 17628 6739 1 13 . 1 1 82 82 LEU C C 82 177.197 177.197 176.043 1.154 17628 6740 1 13 . 1 1 82 82 LEU CA C 82 55.131 55.131 56.173 -1.042 17628 6741 1 13 . 1 1 82 82 LEU CB C 82 42.291 42.291 41.128 1.163 17628 6742 1 13 . 1 1 82 82 LEU H H 82 8.059 8.059 8.592 -0.533 17628 6743 1 13 . 1 1 83 83 GLU N N 83 120.926 120.926 123.511 -2.585 17628 6744 1 13 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.385 -0.203 17628 6745 1 13 . 1 1 83 83 GLU C C 83 175.897 175.897 174.121 1.776 17628 6746 1 13 . 1 1 83 83 GLU CA C 83 56.515 56.515 55.758 0.757 17628 6747 1 13 . 1 1 83 83 GLU CB C 83 30.167 30.167 31.298 -1.131 17628 6748 1 13 . 1 1 83 83 GLU H H 83 8.047 8.047 8.088 -0.041 17628 6749 1 13 . 1 1 84 84 ALA N N 84 124.350 124.350 120.887 3.463 17628 6750 1 13 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.705 -0.401 17628 6751 1 13 . 1 1 84 84 ALA C C 84 177.704 177.704 176.966 0.738 17628 6752 1 13 . 1 1 84 84 ALA CA C 84 52.535 52.535 51.419 1.117 17628 6753 1 13 . 1 1 84 84 ALA CB C 84 19.334 19.334 20.045 -0.711 17628 6754 1 13 . 1 1 84 84 ALA H H 84 8.162 8.162 8.109 0.053 17628 6755 1 13 . 1 1 85 85 THR N N 85 112.934 112.934 114.350 -1.416 17628 6756 1 13 . 1 1 85 85 THR HA H 85 4.264 4.264 4.125 0.139 17628 6757 1 13 . 1 1 85 85 THR C C 85 174.231 174.231 173.836 0.395 17628 6758 1 13 . 1 1 85 85 THR CA C 85 61.831 61.831 62.112 -0.281 17628 6759 1 13 . 1 1 85 85 THR CB C 85 69.955 69.955 66.962 2.993 17628 6760 1 13 . 1 1 85 85 THR H H 85 7.981 7.981 8.292 -0.311 17628 6761 1 13 . 1 1 86 86 GLN N N 86 123.516 123.516 123.414 0.102 17628 6762 1 13 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.514 0.096 17628 6763 1 13 . 1 1 86 86 GLN C C 86 173.352 173.352 173.846 -0.494 17628 6764 1 13 . 1 1 86 86 GLN CA C 86 53.606 53.606 53.287 0.319 17628 6765 1 13 . 1 1 86 86 GLN CB C 86 29.094 29.094 28.172 0.922 17628 6766 1 13 . 1 1 86 86 GLN H H 86 8.217 8.217 8.041 0.176 17628 6767 1 13 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.535 -0.122 17628 6768 1 13 . 1 1 88 88 PRO C C 88 176.930 176.930 176.767 0.163 17628 6769 1 13 . 1 1 88 88 PRO CA C 88 63.105 63.105 61.613 1.492 17628 6770 1 13 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.813 -0.653 17628 6771 1 13 . 1 1 89 89 SER N N 89 116.298 116.298 116.818 -0.520 17628 6772 1 13 . 1 1 89 89 SER HA H 89 4.419 4.419 4.278 0.141 17628 6773 1 13 . 1 1 89 89 SER C C 89 174.469 174.469 174.080 0.389 17628 6774 1 13 . 1 1 89 89 SER CA C 89 58.378 58.378 59.817 -1.439 17628 6775 1 13 . 1 1 89 89 SER CB C 89 63.995 63.995 62.333 1.662 17628 6776 1 13 . 1 1 89 89 SER H H 89 8.358 8.358 8.706 -0.348 17628 6777 1 13 . 1 1 90 90 GLU N N 90 122.340 122.340 115.040 7.300 17628 6778 1 13 . 1 1 90 90 GLU HA H 90 4.647 4.647 3.962 0.685 17628 6779 1 13 . 1 1 90 90 GLU C C 90 175.971 175.971 175.791 0.180 17628 6780 1 13 . 1 1 90 90 GLU CA C 90 56.350 56.350 58.243 -1.893 17628 6781 1 13 . 1 1 90 90 GLU CB C 90 30.349 30.349 29.018 1.331 17628 6782 1 13 . 1 1 90 90 GLU H H 90 8.338 8.338 8.536 -0.198 17628 6783 1 13 . 1 1 91 91 GLN N N 91 122.043 122.043 118.079 3.964 17628 6784 1 13 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.737 -0.134 17628 6785 1 13 . 1 1 91 91 GLN C C 91 173.879 173.879 173.840 0.039 17628 6786 1 13 . 1 1 91 91 GLN CA C 91 53.624 53.624 53.112 0.512 17628 6787 1 13 . 1 1 91 91 GLN CB C 91 29.090 29.090 30.046 -0.956 17628 6788 1 13 . 1 1 91 91 GLN H H 91 8.317 8.317 7.630 0.687 17628 6789 1 13 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.354 0.063 17628 6790 1 13 . 1 1 92 92 PRO C C 92 177.488 177.488 175.906 1.582 17628 6791 1 13 . 1 1 92 92 PRO CA C 92 63.383 63.383 63.064 0.319 17628 6792 1 13 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.195 -0.042 17628 6793 1 13 . 1 1 93 93 GLY N N 93 109.201 109.201 110.092 -0.891 17628 6794 1 13 . 1 1 93 93 GLY C C 93 174.619 174.619 172.934 1.685 17628 6795 1 13 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.664 -0.321 17628 6796 1 13 . 1 1 93 93 GLY H H 93 8.480 8.480 8.275 0.205 17628 6797 1 13 . 1 1 94 94 THR N N 94 112.828 112.828 114.964 -2.136 17628 6798 1 13 . 1 1 94 94 THR HA H 94 4.356 4.356 4.570 -0.214 17628 6799 1 13 . 1 1 94 94 THR C C 94 174.510 174.510 172.907 1.603 17628 6800 1 13 . 1 1 94 94 THR CA C 94 61.816 61.816 62.293 -0.477 17628 6801 1 13 . 1 1 94 94 THR CB C 94 69.913 69.913 70.455 -0.542 17628 6802 1 13 . 1 1 94 94 THR H H 94 8.044 8.044 8.294 -0.250 17628 6803 1 13 . 1 1 95 95 ASP N N 95 122.173 122.173 124.419 -2.246 17628 6804 1 13 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.797 -0.191 17628 6805 1 13 . 1 1 95 95 ASP C C 95 176.584 176.584 174.919 1.665 17628 6806 1 13 . 1 1 95 95 ASP CA C 95 54.631 54.631 53.478 1.153 17628 6807 1 13 . 1 1 95 95 ASP CB C 95 41.067 41.067 43.114 -2.047 17628 6808 1 13 . 1 1 95 95 ASP H H 95 8.413 8.413 8.438 -0.025 17628 6809 1 13 . 1 1 96 96 GLY N N 96 109.220 109.220 108.445 0.775 17628 6810 1 13 . 1 1 96 96 GLY C C 96 173.454 173.454 173.197 0.257 17628 6811 1 13 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.749 -0.084 17628 6812 1 13 . 1 1 96 96 GLY H H 96 8.290 8.290 8.241 0.049 17628 6813 1 14 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.580 -0.171 17628 6814 1 14 . 1 1 2 2 PRO C C 2 176.726 176.726 177.135 -0.409 17628 6815 1 14 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.059 0.962 17628 6816 1 14 . 1 1 2 2 PRO CB C 2 32.135 32.135 33.356 -1.221 17628 6817 1 14 . 1 1 3 3 VAL N N 3 120.494 120.494 122.975 -2.481 17628 6818 1 14 . 1 1 3 3 VAL HA H 3 3.994 3.994 3.972 0.022 17628 6819 1 14 . 1 1 3 3 VAL C C 3 175.979 175.979 175.033 0.946 17628 6820 1 14 . 1 1 3 3 VAL CA C 3 62.467 62.467 61.578 0.889 17628 6821 1 14 . 1 1 3 3 VAL CB C 3 32.545 32.545 29.256 3.289 17628 6822 1 14 . 1 1 3 3 VAL H H 3 8.140 8.140 8.369 -0.229 17628 6823 1 14 . 1 1 4 4 LYS N N 4 126.411 126.411 119.779 6.632 17628 6824 1 14 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.024 0.560 17628 6825 1 14 . 1 1 4 4 LYS C C 4 174.350 174.350 174.224 0.126 17628 6826 1 14 . 1 1 4 4 LYS CA C 4 54.055 54.055 56.217 -2.162 17628 6827 1 14 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.340 1.239 17628 6828 1 14 . 1 1 4 4 LYS H H 4 8.276 8.276 8.117 0.159 17628 6829 1 14 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.312 0.113 17628 6830 1 14 . 1 1 5 5 PRO C C 5 176.929 176.929 176.090 0.839 17628 6831 1 14 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.943 -0.748 17628 6832 1 14 . 1 1 5 5 PRO CB C 5 32.088 32.088 30.344 1.744 17628 6833 1 14 . 1 1 6 6 SER N N 6 115.564 115.564 114.487 1.077 17628 6834 1 14 . 1 1 6 6 SER HA H 6 4.379 4.379 4.446 -0.067 17628 6835 1 14 . 1 1 6 6 SER C C 6 174.458 174.458 174.117 0.341 17628 6836 1 14 . 1 1 6 6 SER CA C 6 58.418 58.418 58.847 -0.429 17628 6837 1 14 . 1 1 6 6 SER CB C 6 63.981 63.981 64.034 -0.053 17628 6838 1 14 . 1 1 6 6 SER H H 6 8.283 8.283 8.470 -0.187 17628 6839 1 14 . 1 1 7 7 ARG N N 7 122.599 122.599 122.051 0.548 17628 6840 1 14 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.811 0.613 17628 6841 1 14 . 1 1 7 7 ARG C C 7 176.216 176.216 175.928 0.288 17628 6842 1 14 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.487 -1.404 17628 6843 1 14 . 1 1 7 7 ARG CB C 7 31.142 31.142 27.772 3.370 17628 6844 1 14 . 1 1 7 7 ARG H H 7 8.321 8.321 8.423 -0.102 17628 6845 1 14 . 1 1 8 8 GLY N N 8 110.092 110.092 105.934 4.158 17628 6846 1 14 . 1 1 8 8 GLY C C 8 171.536 171.536 171.896 -0.360 17628 6847 1 14 . 1 1 8 8 GLY CA C 8 44.474 44.474 44.718 -0.243 17628 6848 1 14 . 1 1 8 8 GLY H H 8 8.248 8.248 7.621 0.627 17628 6849 1 14 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.571 -0.146 17628 6850 1 14 . 1 1 9 9 PRO C C 9 176.675 176.675 175.680 0.995 17628 6851 1 14 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.454 0.746 17628 6852 1 14 . 1 1 9 9 PRO CB C 9 32.242 32.242 31.859 0.383 17628 6853 1 14 . 1 1 10 10 LEU N N 10 120.335 120.335 126.776 -6.441 17628 6854 1 14 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.568 -0.053 17628 6855 1 14 . 1 1 10 10 LEU C C 10 176.413 176.413 176.730 -0.317 17628 6856 1 14 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.468 -0.068 17628 6857 1 14 . 1 1 10 10 LEU CB C 10 43.946 43.946 41.783 2.163 17628 6858 1 14 . 1 1 10 10 LEU H H 10 8.018 8.018 8.493 -0.475 17628 6859 1 14 . 1 1 11 11 VAL N N 11 120.543 120.543 125.566 -5.023 17628 6860 1 14 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.311 0.144 17628 6861 1 14 . 1 1 11 11 VAL C C 11 174.141 174.141 176.069 -1.928 17628 6862 1 14 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.348 -1.080 17628 6863 1 14 . 1 1 11 11 VAL CB C 11 35.006 35.006 33.289 1.717 17628 6864 1 14 . 1 1 11 11 VAL H H 11 9.111 9.111 7.998 1.113 17628 6865 1 14 . 1 1 12 12 THR N N 12 120.707 120.707 124.201 -3.494 17628 6866 1 14 . 1 1 12 12 THR HA H 12 4.883 4.883 4.759 0.124 17628 6867 1 14 . 1 1 12 12 THR C C 12 173.103 173.103 173.663 -0.560 17628 6868 1 14 . 1 1 12 12 THR CA C 12 62.760 62.760 63.470 -0.710 17628 6869 1 14 . 1 1 12 12 THR CB C 12 69.037 69.037 69.740 -0.703 17628 6870 1 14 . 1 1 12 12 THR H H 12 8.886 8.886 8.679 0.207 17628 6871 1 14 . 1 1 13 13 CYS N N 13 124.651 124.651 123.588 1.063 17628 6872 1 14 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.845 0.037 17628 6873 1 14 . 1 1 13 13 CYS C C 13 174.463 174.463 173.486 0.977 17628 6874 1 14 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.623 -6.501 17628 6875 1 14 . 1 1 13 13 CYS CB C 13 42.407 42.407 32.053 10.354 17628 6876 1 14 . 1 1 13 13 CYS H H 13 9.165 9.165 8.427 0.738 17628 6877 1 14 . 1 1 14 14 THR N N 14 121.496 121.496 119.030 2.466 17628 6878 1 14 . 1 1 14 14 THR HA H 14 4.001 4.001 4.235 -0.234 17628 6879 1 14 . 1 1 14 14 THR C C 14 172.453 172.453 174.416 -1.963 17628 6880 1 14 . 1 1 14 14 THR CA C 14 66.024 66.024 64.928 1.096 17628 6881 1 14 . 1 1 14 14 THR CB C 14 69.319 69.319 68.598 0.721 17628 6882 1 14 . 1 1 14 14 THR H H 14 8.931 8.931 8.639 0.292 17628 6883 1 14 . 1 1 15 15 CYS N N 15 129.296 129.296 127.506 1.790 17628 6884 1 14 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.758 -0.724 17628 6885 1 14 . 1 1 15 15 CYS C C 15 174.111 174.111 174.092 0.019 17628 6886 1 14 . 1 1 15 15 CYS CA C 15 57.007 57.007 55.965 1.042 17628 6887 1 14 . 1 1 15 15 CYS CB C 15 37.153 37.153 30.905 6.248 17628 6888 1 14 . 1 1 15 15 CYS H H 15 8.227 8.227 8.874 -0.647 17628 6889 1 14 . 1 1 16 16 GLU N N 16 127.625 127.625 127.961 -0.336 17628 6890 1 14 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.456 0.057 17628 6891 1 14 . 1 1 16 16 GLU C C 16 173.185 173.185 174.619 -1.434 17628 6892 1 14 . 1 1 16 16 GLU CA C 16 56.082 56.082 56.529 -0.447 17628 6893 1 14 . 1 1 16 16 GLU CB C 16 32.050 32.050 32.261 -0.211 17628 6894 1 14 . 1 1 16 16 GLU H H 16 9.106 9.106 8.561 0.545 17628 6895 1 14 . 1 1 17 17 SER N N 17 123.384 123.384 117.222 6.162 17628 6896 1 14 . 1 1 17 17 SER HA H 17 4.503 4.503 3.948 0.555 17628 6897 1 14 . 1 1 17 17 SER C C 17 172.946 172.946 171.973 0.973 17628 6898 1 14 . 1 1 17 17 SER CA C 17 57.341 57.341 59.909 -2.568 17628 6899 1 14 . 1 1 17 17 SER CB C 17 63.379 63.379 61.862 1.517 17628 6900 1 14 . 1 1 17 17 SER H H 17 7.770 7.770 8.612 -0.842 17628 6901 1 14 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.461 -0.109 17628 6902 1 14 . 1 1 18 18 PRO C C 18 176.600 176.600 176.510 0.090 17628 6903 1 14 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.540 0.887 17628 6904 1 14 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.184 -0.177 17628 6905 1 14 . 1 1 19 19 HIS N N 19 113.110 113.110 114.506 -1.396 17628 6906 1 14 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.729 -0.051 17628 6907 1 14 . 1 1 19 19 HIS C C 19 175.396 175.396 174.579 0.817 17628 6908 1 14 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.042 -0.014 17628 6909 1 14 . 1 1 19 19 HIS CB C 19 29.408 29.408 29.522 -0.114 17628 6910 1 14 . 1 1 19 19 HIS H H 19 7.898 7.898 7.685 0.213 17628 6911 1 14 . 1 1 20 20 CYS N N 20 119.283 119.283 119.921 -0.638 17628 6912 1 14 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.601 -0.237 17628 6913 1 14 . 1 1 20 20 CYS C C 20 174.956 174.956 173.504 1.452 17628 6914 1 14 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.497 0.267 17628 6915 1 14 . 1 1 20 20 CYS CB C 20 42.002 42.002 29.360 12.642 17628 6916 1 14 . 1 1 20 20 CYS H H 20 7.305 7.305 7.604 -0.299 17628 6917 1 14 . 1 1 21 21 LYS N N 21 124.199 124.199 124.357 -0.158 17628 6918 1 14 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.391 0.012 17628 6919 1 14 . 1 1 21 21 LYS C C 21 175.650 175.650 176.159 -0.509 17628 6920 1 14 . 1 1 21 21 LYS CA C 21 56.112 56.112 55.593 0.519 17628 6921 1 14 . 1 1 21 21 LYS CB C 21 32.166 32.166 31.146 1.020 17628 6922 1 14 . 1 1 21 21 LYS H H 21 8.851 8.851 8.617 0.234 17628 6923 1 14 . 1 1 22 22 GLY N N 22 108.943 108.943 108.257 0.686 17628 6924 1 14 . 1 1 22 22 GLY C C 22 171.467 171.467 173.024 -1.557 17628 6925 1 14 . 1 1 22 22 GLY CA C 22 44.437 44.437 44.696 -0.259 17628 6926 1 14 . 1 1 22 22 GLY H H 22 7.768 7.768 7.587 0.181 17628 6927 1 14 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.250 0.564 17628 6928 1 14 . 1 1 23 23 PRO C C 23 177.578 177.578 175.958 1.620 17628 6929 1 14 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.075 0.135 17628 6930 1 14 . 1 1 23 23 PRO CB C 23 32.385 32.385 31.417 0.968 17628 6931 1 14 . 1 1 24 24 THR N N 24 108.931 108.931 108.660 0.271 17628 6932 1 14 . 1 1 24 24 THR HA H 24 5.358 5.358 5.049 0.309 17628 6933 1 14 . 1 1 24 24 THR C C 24 173.043 173.043 173.853 -0.810 17628 6934 1 14 . 1 1 24 24 THR CA C 24 59.041 59.041 60.347 -1.306 17628 6935 1 14 . 1 1 24 24 THR CB C 24 73.255 73.255 71.580 1.675 17628 6936 1 14 . 1 1 24 24 THR H H 24 7.599 7.599 8.024 -0.425 17628 6937 1 14 . 1 1 25 25 CYS N N 25 115.152 115.152 120.519 -5.367 17628 6938 1 14 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.889 -0.023 17628 6939 1 14 . 1 1 25 25 CYS C C 25 171.952 171.952 173.613 -1.661 17628 6940 1 14 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.340 -3.853 17628 6941 1 14 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.715 15.670 17628 6942 1 14 . 1 1 25 25 CYS H H 25 8.872 8.872 8.462 0.410 17628 6943 1 14 . 1 1 26 26 ARG N N 26 119.551 119.551 125.737 -6.186 17628 6944 1 14 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.676 0.901 17628 6945 1 14 . 1 1 26 26 ARG C C 26 176.621 176.621 176.069 0.552 17628 6946 1 14 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.716 -2.591 17628 6947 1 14 . 1 1 26 26 ARG CB C 26 32.588 32.588 31.358 1.230 17628 6948 1 14 . 1 1 26 26 ARG H H 26 8.481 8.481 8.678 -0.197 17628 6949 1 14 . 1 1 27 27 GLY N N 27 111.192 111.192 109.421 1.771 17628 6950 1 14 . 1 1 27 27 GLY C C 27 170.250 170.250 172.683 -2.433 17628 6951 1 14 . 1 1 27 27 GLY CA C 27 45.133 45.133 46.026 -0.893 17628 6952 1 14 . 1 1 27 27 GLY H H 27 8.866 8.866 8.257 0.609 17628 6953 1 14 . 1 1 28 28 ALA N N 28 123.763 123.763 122.675 1.088 17628 6954 1 14 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.987 -0.574 17628 6955 1 14 . 1 1 28 28 ALA C C 28 177.525 177.525 175.957 1.568 17628 6956 1 14 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.618 3.099 17628 6957 1 14 . 1 1 28 28 ALA CB C 28 19.214 19.214 20.614 -1.400 17628 6958 1 14 . 1 1 28 28 ALA H H 28 7.732 7.732 8.486 -0.754 17628 6959 1 14 . 1 1 29 29 TRP N N 29 112.576 112.576 114.118 -1.542 17628 6960 1 14 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.721 -0.081 17628 6961 1 14 . 1 1 29 29 TRP C C 29 172.901 172.901 174.060 -1.159 17628 6962 1 14 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.840 3.922 17628 6963 1 14 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.508 0.098 17628 6964 1 14 . 1 1 29 29 TRP H H 29 7.830 7.830 7.131 0.699 17628 6965 1 14 . 1 1 30 30 CYS N N 30 116.421 116.421 121.621 -5.200 17628 6966 1 14 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.624 0.270 17628 6967 1 14 . 1 1 30 30 CYS C C 30 176.719 176.719 175.618 1.101 17628 6968 1 14 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.628 -6.931 17628 6969 1 14 . 1 1 30 30 CYS CB C 30 38.255 38.255 26.949 11.306 17628 6970 1 14 . 1 1 30 30 CYS H H 30 9.319 9.319 8.931 0.388 17628 6971 1 14 . 1 1 31 31 THR N N 31 110.073 110.073 118.351 -8.278 17628 6972 1 14 . 1 1 31 31 THR HA H 31 5.917 5.917 5.683 0.234 17628 6973 1 14 . 1 1 31 31 THR C C 31 177.249 177.249 174.330 2.919 17628 6974 1 14 . 1 1 31 31 THR CA C 31 59.845 59.845 59.980 -0.135 17628 6975 1 14 . 1 1 31 31 THR CB C 31 72.586 72.586 70.730 1.856 17628 6976 1 14 . 1 1 31 31 THR H H 31 8.936 8.936 9.277 -0.341 17628 6977 1 14 . 1 1 32 32 VAL N N 32 122.685 122.685 121.917 0.768 17628 6978 1 14 . 1 1 32 32 VAL HA H 32 4.762 4.762 4.980 -0.218 17628 6979 1 14 . 1 1 32 32 VAL C C 32 173.813 173.813 174.134 -0.321 17628 6980 1 14 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.775 3.944 17628 6981 1 14 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.930 -0.058 17628 6982 1 14 . 1 1 32 32 VAL H H 32 8.841 8.841 8.793 0.048 17628 6983 1 14 . 1 1 33 33 VAL N N 33 124.915 124.915 120.006 4.909 17628 6984 1 14 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.745 0.042 17628 6985 1 14 . 1 1 33 33 VAL C C 33 174.014 174.014 174.298 -0.284 17628 6986 1 14 . 1 1 33 33 VAL CA C 33 60.462 60.462 61.091 -0.629 17628 6987 1 14 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.617 1.071 17628 6988 1 14 . 1 1 33 33 VAL H H 33 9.047 9.047 7.876 1.171 17628 6989 1 14 . 1 1 34 34 LEU N N 34 127.771 127.771 128.955 -1.184 17628 6990 1 14 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.705 0.184 17628 6991 1 14 . 1 1 34 34 LEU C C 34 175.433 175.433 175.735 -0.302 17628 6992 1 14 . 1 1 34 34 LEU CA C 34 54.015 54.015 54.438 -0.423 17628 6993 1 14 . 1 1 34 34 LEU CB C 34 44.427 44.427 42.933 1.494 17628 6994 1 14 . 1 1 34 34 LEU H H 34 8.450 8.450 8.318 0.132 17628 6995 1 14 . 1 1 35 35 VAL N N 35 125.904 125.904 129.171 -3.267 17628 6996 1 14 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.082 0.294 17628 6997 1 14 . 1 1 35 35 VAL C C 35 175.098 175.098 175.225 -0.127 17628 6998 1 14 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.708 -0.407 17628 6999 1 14 . 1 1 35 35 VAL CB C 35 34.190 34.190 31.398 2.792 17628 7000 1 14 . 1 1 35 35 VAL H H 35 8.868 8.868 8.969 -0.101 17628 7001 1 14 . 1 1 36 36 ARG N N 36 127.282 127.282 127.304 -0.022 17628 7002 1 14 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.271 0.245 17628 7003 1 14 . 1 1 36 36 ARG C C 36 175.068 175.068 175.795 -0.727 17628 7004 1 14 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.349 0.175 17628 7005 1 14 . 1 1 36 36 ARG CB C 36 31.603 31.603 30.887 0.716 17628 7006 1 14 . 1 1 36 36 ARG H H 36 8.665 8.665 8.639 0.026 17628 7007 1 14 . 1 1 37 37 GLU N N 37 124.628 124.628 119.275 5.353 17628 7008 1 14 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.149 0.249 17628 7009 1 14 . 1 1 37 37 GLU C C 37 175.762 175.762 175.729 0.033 17628 7010 1 14 . 1 1 37 37 GLU CA C 37 55.477 55.477 56.745 -1.268 17628 7011 1 14 . 1 1 37 37 GLU CB C 37 31.724 31.724 28.124 3.600 17628 7012 1 14 . 1 1 37 37 GLU H H 37 8.458 8.458 8.673 -0.215 17628 7013 1 14 . 1 1 38 38 GLU N N 38 123.236 123.236 126.382 -3.146 17628 7014 1 14 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.339 -0.311 17628 7015 1 14 . 1 1 38 38 GLU C C 38 177.354 177.354 177.071 0.283 17628 7016 1 14 . 1 1 38 38 GLU CA C 38 57.924 57.924 54.879 3.045 17628 7017 1 14 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.401 0.869 17628 7018 1 14 . 1 1 38 38 GLU H H 38 8.628 8.628 8.163 0.465 17628 7019 1 14 . 1 1 39 39 GLY N N 39 111.764 111.764 114.897 -3.133 17628 7020 1 14 . 1 1 39 39 GLY C C 39 173.954 173.954 174.817 -0.863 17628 7021 1 14 . 1 1 39 39 GLY CA C 39 45.592 45.592 46.128 -0.536 17628 7022 1 14 . 1 1 39 39 GLY H H 39 8.670 8.670 8.353 0.317 17628 7023 1 14 . 1 1 40 40 ARG N N 40 118.313 118.313 122.118 -3.805 17628 7024 1 14 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.478 0.111 17628 7025 1 14 . 1 1 40 40 ARG C C 40 175.874 175.874 175.222 0.652 17628 7026 1 14 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.653 -2.067 17628 7027 1 14 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.562 0.940 17628 7028 1 14 . 1 1 40 40 ARG H H 40 7.905 7.905 7.945 -0.040 17628 7029 1 14 . 1 1 41 41 HIS N N 41 120.013 120.013 113.729 6.284 17628 7030 1 14 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.833 0.022 17628 7031 1 14 . 1 1 41 41 HIS C C 41 173.290 173.290 172.366 0.924 17628 7032 1 14 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.377 0.829 17628 7033 1 14 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.812 -2.623 17628 7034 1 14 . 1 1 41 41 HIS H H 41 8.512 8.512 7.980 0.532 17628 7035 1 14 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.613 0.027 17628 7036 1 14 . 1 1 42 42 PRO C C 42 175.777 175.777 175.834 -0.057 17628 7037 1 14 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.827 0.694 17628 7038 1 14 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.123 0.370 17628 7039 1 14 . 1 1 43 43 GLN N N 43 120.474 120.474 123.399 -2.925 17628 7040 1 14 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.574 0.023 17628 7041 1 14 . 1 1 43 43 GLN C C 43 173.963 173.963 174.837 -0.874 17628 7042 1 14 . 1 1 43 43 GLN CA C 43 54.484 54.484 53.969 0.515 17628 7043 1 14 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.307 0.256 17628 7044 1 14 . 1 1 43 43 GLN H H 43 8.524 8.524 8.608 -0.084 17628 7045 1 14 . 1 1 44 44 GLU N N 44 122.323 122.323 124.282 -1.959 17628 7046 1 14 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.578 0.509 17628 7047 1 14 . 1 1 44 44 GLU C C 44 175.650 175.650 175.771 -0.121 17628 7048 1 14 . 1 1 44 44 GLU CA C 44 55.435 55.435 55.726 -0.291 17628 7049 1 14 . 1 1 44 44 GLU CB C 44 31.538 31.538 30.260 1.278 17628 7050 1 14 . 1 1 44 44 GLU H H 44 8.751 8.751 8.720 0.031 17628 7051 1 14 . 1 1 45 45 HIS N N 45 122.818 122.818 125.362 -2.544 17628 7052 1 14 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.035 0.354 17628 7053 1 14 . 1 1 45 45 HIS C C 45 174.918 174.918 174.075 0.843 17628 7054 1 14 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.784 -1.626 17628 7055 1 14 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.736 1.653 17628 7056 1 14 . 1 1 45 45 HIS H H 45 9.202 9.202 8.905 0.297 17628 7057 1 14 . 1 1 46 46 ARG N N 46 122.260 122.260 121.119 1.141 17628 7058 1 14 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.391 -0.174 17628 7059 1 14 . 1 1 46 46 ARG C C 46 176.255 176.255 174.936 1.319 17628 7060 1 14 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.009 0.835 17628 7061 1 14 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.324 -1.931 17628 7062 1 14 . 1 1 46 46 ARG H H 46 8.847 8.847 8.618 0.229 17628 7063 1 14 . 1 1 47 47 GLY N N 47 114.135 114.135 107.563 6.572 17628 7064 1 14 . 1 1 47 47 GLY C C 47 171.175 171.175 172.366 -1.191 17628 7065 1 14 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.768 1.904 17628 7066 1 14 . 1 1 47 47 GLY H H 47 8.210 8.210 8.344 -0.134 17628 7067 1 14 . 1 1 48 48 CYS N N 48 118.698 118.698 121.055 -2.357 17628 7068 1 14 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.733 -0.541 17628 7069 1 14 . 1 1 48 48 CYS C C 48 173.522 173.522 177.088 -3.566 17628 7070 1 14 . 1 1 48 48 CYS CA C 48 58.600 58.600 55.882 2.718 17628 7071 1 14 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.205 16.728 17628 7072 1 14 . 1 1 48 48 CYS H H 48 8.322 8.322 8.268 0.054 17628 7073 1 14 . 1 1 49 49 GLY N N 49 112.213 112.213 111.369 0.844 17628 7074 1 14 . 1 1 49 49 GLY C C 49 170.413 170.413 174.909 -4.496 17628 7075 1 14 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.913 -2.809 17628 7076 1 14 . 1 1 49 49 GLY H H 49 8.679 8.679 8.958 -0.279 17628 7077 1 14 . 1 1 50 50 ASN N N 50 115.420 115.420 117.253 -1.833 17628 7078 1 14 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.244 -0.216 17628 7079 1 14 . 1 1 50 50 ASN C C 50 173.574 173.574 174.779 -1.205 17628 7080 1 14 . 1 1 50 50 ASN CA C 50 54.381 54.381 56.102 -1.721 17628 7081 1 14 . 1 1 50 50 ASN CB C 50 42.721 42.721 38.019 4.702 17628 7082 1 14 . 1 1 50 50 ASN H H 50 8.103 8.103 8.421 -0.318 17628 7083 1 14 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.463 0.192 17628 7084 1 14 . 1 1 51 51 LEU C C 51 176.323 176.323 175.368 0.955 17628 7085 1 14 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.678 -0.279 17628 7086 1 14 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.929 3.677 17628 7087 1 14 . 1 1 52 52 HIS N N 52 115.835 115.835 122.004 -6.169 17628 7088 1 14 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.806 0.181 17628 7089 1 14 . 1 1 52 52 HIS C C 52 176.442 176.442 175.326 1.116 17628 7090 1 14 . 1 1 52 52 HIS CA C 52 55.983 55.983 56.681 -0.698 17628 7091 1 14 . 1 1 52 52 HIS CB C 52 26.270 26.270 30.530 -4.260 17628 7092 1 14 . 1 1 52 52 HIS H H 52 8.904 8.904 7.910 0.994 17628 7093 1 14 . 1 1 53 53 ARG N N 53 124.169 124.169 126.915 -2.746 17628 7094 1 14 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.449 -1.129 17628 7095 1 14 . 1 1 53 53 ARG C C 53 177.862 177.862 177.386 0.476 17628 7096 1 14 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.828 -0.470 17628 7097 1 14 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.360 -0.706 17628 7098 1 14 . 1 1 53 53 ARG H H 53 8.876 8.876 8.795 0.081 17628 7099 1 14 . 1 1 54 54 GLU N N 54 118.465 118.465 119.412 -0.947 17628 7100 1 14 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.019 0.014 17628 7101 1 14 . 1 1 54 54 GLU C C 54 177.704 177.704 177.447 0.257 17628 7102 1 14 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.847 -0.104 17628 7103 1 14 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.496 -1.552 17628 7104 1 14 . 1 1 54 54 GLU H H 54 9.759 9.759 8.796 0.963 17628 7105 1 14 . 1 1 55 55 LEU N N 55 120.238 120.238 118.060 2.178 17628 7106 1 14 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.110 -0.054 17628 7107 1 14 . 1 1 55 55 LEU C C 55 177.601 177.601 176.376 1.225 17628 7108 1 14 . 1 1 55 55 LEU CA C 55 55.882 55.882 54.930 0.952 17628 7109 1 14 . 1 1 55 55 LEU CB C 55 41.225 41.225 40.961 0.264 17628 7110 1 14 . 1 1 55 55 LEU H H 55 7.351 7.351 7.705 -0.354 17628 7111 1 14 . 1 1 56 56 CYS N N 56 115.234 115.234 117.221 -1.987 17628 7112 1 14 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.235 0.026 17628 7113 1 14 . 1 1 56 56 CYS C C 56 175.060 175.060 173.897 1.163 17628 7114 1 14 . 1 1 56 56 CYS CA C 56 55.883 55.883 58.414 -2.531 17628 7115 1 14 . 1 1 56 56 CYS CB C 56 38.516 38.516 28.981 9.535 17628 7116 1 14 . 1 1 56 56 CYS H H 56 7.640 7.640 7.619 0.021 17628 7117 1 14 . 1 1 57 57 ARG N N 57 119.272 119.272 120.166 -0.894 17628 7118 1 14 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.677 -0.193 17628 7119 1 14 . 1 1 57 57 ARG C C 57 176.114 176.114 175.782 0.332 17628 7120 1 14 . 1 1 57 57 ARG CA C 57 55.323 55.323 54.075 1.248 17628 7121 1 14 . 1 1 57 57 ARG CB C 57 31.650 31.650 29.395 2.255 17628 7122 1 14 . 1 1 57 57 ARG H H 57 7.626 7.626 7.621 0.005 17628 7123 1 14 . 1 1 58 58 GLY N N 58 108.813 108.813 109.838 -1.025 17628 7124 1 14 . 1 1 58 58 GLY C C 58 173.663 173.663 173.500 0.163 17628 7125 1 14 . 1 1 58 58 GLY CA C 58 45.357 45.357 43.962 1.395 17628 7126 1 14 . 1 1 58 58 GLY H H 58 8.139 8.139 8.122 0.017 17628 7127 1 14 . 1 1 59 59 ARG N N 59 121.042 121.042 118.925 2.117 17628 7128 1 14 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.595 0.161 17628 7129 1 14 . 1 1 59 59 ARG C C 59 174.784 174.784 173.398 1.386 17628 7130 1 14 . 1 1 59 59 ARG CA C 59 53.834 53.834 53.313 0.521 17628 7131 1 14 . 1 1 59 59 ARG CB C 59 30.716 30.716 32.878 -2.162 17628 7132 1 14 . 1 1 59 59 ARG H H 59 8.216 8.216 8.223 -0.007 17628 7133 1 14 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.508 -0.034 17628 7134 1 14 . 1 1 60 60 PRO C C 60 176.726 176.726 175.878 0.848 17628 7135 1 14 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.282 0.567 17628 7136 1 14 . 1 1 60 60 PRO CB C 60 31.909 31.909 32.074 -0.165 17628 7137 1 14 . 1 1 61 61 THR N N 61 110.945 110.945 117.321 -6.376 17628 7138 1 14 . 1 1 61 61 THR HA H 61 4.426 4.426 4.338 0.088 17628 7139 1 14 . 1 1 61 61 THR C C 61 174.238 174.238 174.897 -0.659 17628 7140 1 14 . 1 1 61 61 THR CA C 61 61.219 61.219 62.530 -1.311 17628 7141 1 14 . 1 1 61 61 THR CB C 61 70.449 70.449 69.266 1.183 17628 7142 1 14 . 1 1 61 61 THR H H 61 7.940 7.940 8.479 -0.539 17628 7143 1 14 . 1 1 62 62 GLU N N 62 119.936 119.936 122.047 -2.111 17628 7144 1 14 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.051 0.119 17628 7145 1 14 . 1 1 62 62 GLU C C 62 175.889 175.889 175.414 0.475 17628 7146 1 14 . 1 1 62 62 GLU CA C 62 57.090 57.090 56.848 0.242 17628 7147 1 14 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.446 0.663 17628 7148 1 14 . 1 1 62 62 GLU H H 62 8.342 8.342 8.686 -0.344 17628 7149 1 14 . 1 1 63 63 PHE N N 63 117.934 117.934 111.602 6.332 17628 7150 1 14 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.150 0.449 17628 7151 1 14 . 1 1 63 63 PHE C C 63 175.367 175.367 174.301 1.066 17628 7152 1 14 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.623 0.527 17628 7153 1 14 . 1 1 63 63 PHE CB C 63 39.511 39.511 36.556 2.955 17628 7154 1 14 . 1 1 63 63 PHE H H 63 8.137 8.137 8.084 0.053 17628 7155 1 14 . 1 1 64 64 VAL N N 64 120.294 120.294 119.442 0.852 17628 7156 1 14 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.121 0.262 17628 7157 1 14 . 1 1 64 64 VAL C C 64 174.649 174.649 175.623 -0.974 17628 7158 1 14 . 1 1 64 64 VAL CA C 64 62.287 62.287 61.502 0.784 17628 7159 1 14 . 1 1 64 64 VAL CB C 64 33.405 33.405 33.411 -0.006 17628 7160 1 14 . 1 1 64 64 VAL H H 64 7.792 7.792 7.787 0.005 17628 7161 1 14 . 1 1 65 65 ASN N N 65 121.166 121.166 121.810 -0.644 17628 7162 1 14 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.864 0.033 17628 7163 1 14 . 1 1 65 65 ASN C C 65 173.716 173.716 173.713 0.003 17628 7164 1 14 . 1 1 65 65 ASN CA C 65 52.908 52.908 52.646 0.262 17628 7165 1 14 . 1 1 65 65 ASN CB C 65 40.357 40.357 39.042 1.315 17628 7166 1 14 . 1 1 65 65 ASN H H 65 8.455 8.455 8.707 -0.252 17628 7167 1 14 . 1 1 66 66 HIS N N 66 121.303 121.303 120.221 1.082 17628 7168 1 14 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.759 -0.708 17628 7169 1 14 . 1 1 66 66 HIS C C 66 172.730 172.730 174.020 -1.290 17628 7170 1 14 . 1 1 66 66 HIS CA C 66 55.764 55.764 54.343 1.421 17628 7171 1 14 . 1 1 66 66 HIS CB C 66 31.856 31.856 28.600 3.256 17628 7172 1 14 . 1 1 66 66 HIS H H 66 8.128 8.128 7.675 0.453 17628 7173 1 14 . 1 1 67 67 TYR N N 67 125.626 125.626 126.254 -0.628 17628 7174 1 14 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.971 -0.034 17628 7175 1 14 . 1 1 67 67 TYR C C 67 174.178 174.178 173.821 0.357 17628 7176 1 14 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.273 -0.092 17628 7177 1 14 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.528 0.619 17628 7178 1 14 . 1 1 67 67 TYR H H 67 9.065 9.065 8.715 0.350 17628 7179 1 14 . 1 1 68 68 CYS N N 68 123.801 123.801 118.452 5.349 17628 7180 1 14 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.312 0.487 17628 7181 1 14 . 1 1 68 68 CYS C C 68 171.347 171.347 173.112 -1.765 17628 7182 1 14 . 1 1 68 68 CYS CA C 68 51.895 51.895 55.121 -3.227 17628 7183 1 14 . 1 1 68 68 CYS CB C 68 45.198 45.198 28.881 16.317 17628 7184 1 14 . 1 1 68 68 CYS H H 68 7.902 7.902 7.161 0.741 17628 7185 1 14 . 1 1 69 69 CYS N N 69 115.715 115.715 121.160 -5.445 17628 7186 1 14 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.500 0.282 17628 7187 1 14 . 1 1 69 69 CYS C C 69 173.552 173.552 174.156 -0.604 17628 7188 1 14 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.605 -3.609 17628 7189 1 14 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.158 14.742 17628 7190 1 14 . 1 1 69 69 CYS H H 69 8.843 8.843 8.183 0.660 17628 7191 1 14 . 1 1 70 70 ASP N N 70 120.487 120.487 120.517 -0.030 17628 7192 1 14 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.831 0.333 17628 7193 1 14 . 1 1 70 70 ASP C C 70 174.507 174.507 175.246 -0.739 17628 7194 1 14 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.245 0.582 17628 7195 1 14 . 1 1 70 70 ASP CB C 70 42.481 42.481 42.240 0.241 17628 7196 1 14 . 1 1 70 70 ASP H H 70 8.531 8.531 8.643 -0.112 17628 7197 1 14 . 1 1 71 71 SER N N 71 113.179 113.179 114.631 -1.452 17628 7198 1 14 . 1 1 71 71 SER HA H 71 4.896 4.896 4.732 0.164 17628 7199 1 14 . 1 1 71 71 SER C C 71 173.387 173.387 173.588 -0.201 17628 7200 1 14 . 1 1 71 71 SER CA C 71 57.709 57.709 57.251 0.459 17628 7201 1 14 . 1 1 71 71 SER CB C 71 66.587 66.587 66.088 0.499 17628 7202 1 14 . 1 1 71 71 SER H H 71 7.641 7.641 7.627 0.014 17628 7203 1 14 . 1 1 72 72 HIS N N 72 119.348 119.348 119.133 0.215 17628 7204 1 14 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.571 -0.033 17628 7205 1 14 . 1 1 72 72 HIS C C 72 176.173 176.173 176.299 -0.126 17628 7206 1 14 . 1 1 72 72 HIS CA C 72 58.734 58.734 55.986 2.748 17628 7207 1 14 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.976 1.800 17628 7208 1 14 . 1 1 72 72 HIS H H 72 8.308 8.308 8.597 -0.289 17628 7209 1 14 . 1 1 73 73 LEU N N 73 123.124 123.124 120.541 2.583 17628 7210 1 14 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.898 -0.130 17628 7211 1 14 . 1 1 73 73 LEU C C 73 178.572 178.572 176.326 2.246 17628 7212 1 14 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.425 1.177 17628 7213 1 14 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.174 0.828 17628 7214 1 14 . 1 1 73 73 LEU H H 73 9.769 9.769 8.940 0.829 17628 7215 1 14 . 1 1 74 74 CYS N N 74 116.789 116.789 120.109 -3.320 17628 7216 1 14 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.440 -0.018 17628 7217 1 14 . 1 1 74 74 CYS C C 74 174.644 174.644 176.851 -2.207 17628 7218 1 14 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.929 -1.369 17628 7219 1 14 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.526 15.742 17628 7220 1 14 . 1 1 74 74 CYS H H 74 8.488 8.488 8.742 -0.254 17628 7221 1 14 . 1 1 75 75 ASN N N 75 118.193 118.193 119.016 -0.823 17628 7222 1 14 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.595 -0.177 17628 7223 1 14 . 1 1 75 75 ASN C C 75 175.216 175.216 176.790 -1.574 17628 7224 1 14 . 1 1 75 75 ASN CA C 75 52.578 52.578 55.224 -2.646 17628 7225 1 14 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.944 -0.331 17628 7226 1 14 . 1 1 75 75 ASN H H 75 8.432 8.432 8.231 0.201 17628 7227 1 14 . 1 1 76 76 HIS N N 76 120.329 120.329 120.714 -0.385 17628 7228 1 14 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.381 -0.214 17628 7229 1 14 . 1 1 76 76 HIS C C 76 174.631 174.631 174.507 0.124 17628 7230 1 14 . 1 1 76 76 HIS CA C 76 59.328 59.328 58.548 0.780 17628 7231 1 14 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.949 -0.241 17628 7232 1 14 . 1 1 76 76 HIS H H 76 7.768 7.768 8.419 -0.651 17628 7233 1 14 . 1 1 77 77 ASN N N 77 115.167 115.167 113.723 1.444 17628 7234 1 14 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.712 -0.154 17628 7235 1 14 . 1 1 77 77 ASN C C 77 174.522 174.522 174.061 0.461 17628 7236 1 14 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.337 0.527 17628 7237 1 14 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.911 -0.192 17628 7238 1 14 . 1 1 77 77 ASN H H 77 8.457 8.457 7.760 0.697 17628 7239 1 14 . 1 1 78 78 VAL N N 78 119.202 119.202 119.500 -0.298 17628 7240 1 14 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.204 -0.361 17628 7241 1 14 . 1 1 78 78 VAL C C 78 174.709 174.709 174.517 0.192 17628 7242 1 14 . 1 1 78 78 VAL CA C 78 62.643 62.643 60.767 1.877 17628 7243 1 14 . 1 1 78 78 VAL CB C 78 33.309 33.309 34.585 -1.276 17628 7244 1 14 . 1 1 78 78 VAL H H 78 6.691 6.691 7.121 -0.430 17628 7245 1 14 . 1 1 79 79 SER HA H 79 4.846 4.846 4.904 -0.058 17628 7246 1 14 . 1 1 79 79 SER C C 79 174.082 174.082 173.284 0.798 17628 7247 1 14 . 1 1 79 79 SER CA C 79 56.222 56.222 57.507 -1.285 17628 7248 1 14 . 1 1 79 79 SER CB C 79 64.855 64.855 65.606 -0.751 17628 7249 1 14 . 1 1 80 80 LEU N N 80 126.815 126.815 126.536 0.279 17628 7250 1 14 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.604 -0.244 17628 7251 1 14 . 1 1 80 80 LEU C C 80 176.897 176.897 177.433 -0.536 17628 7252 1 14 . 1 1 80 80 LEU CA C 80 54.300 54.300 53.346 0.953 17628 7253 1 14 . 1 1 80 80 LEU CB C 80 42.671 42.671 39.918 2.753 17628 7254 1 14 . 1 1 80 80 LEU H H 80 9.623 9.623 9.530 0.093 17628 7255 1 14 . 1 1 81 81 VAL N N 81 117.921 117.921 120.740 -2.819 17628 7256 1 14 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.887 0.057 17628 7257 1 14 . 1 1 81 81 VAL C C 81 175.889 175.889 176.544 -0.655 17628 7258 1 14 . 1 1 81 81 VAL CA C 81 62.536 62.536 65.201 -2.665 17628 7259 1 14 . 1 1 81 81 VAL CB C 81 32.869 32.869 31.999 0.870 17628 7260 1 14 . 1 1 81 81 VAL H H 81 7.824 7.824 7.663 0.161 17628 7261 1 14 . 1 1 82 82 LEU N N 82 124.533 124.533 117.133 7.400 17628 7262 1 14 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.452 -0.161 17628 7263 1 14 . 1 1 82 82 LEU C C 82 177.197 177.197 176.870 0.327 17628 7264 1 14 . 1 1 82 82 LEU CA C 82 55.131 55.131 54.830 0.301 17628 7265 1 14 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.950 1.341 17628 7266 1 14 . 1 1 82 82 LEU H H 82 8.059 8.059 7.754 0.305 17628 7267 1 14 . 1 1 83 83 GLU N N 83 120.926 120.926 121.010 -0.084 17628 7268 1 14 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.472 -0.290 17628 7269 1 14 . 1 1 83 83 GLU C C 83 175.897 175.897 175.511 0.386 17628 7270 1 14 . 1 1 83 83 GLU CA C 83 56.515 56.515 53.759 2.756 17628 7271 1 14 . 1 1 83 83 GLU CB C 83 30.167 30.167 29.060 1.107 17628 7272 1 14 . 1 1 83 83 GLU H H 83 8.047 8.047 8.006 0.041 17628 7273 1 14 . 1 1 84 84 ALA N N 84 124.350 124.350 128.249 -3.899 17628 7274 1 14 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.101 0.203 17628 7275 1 14 . 1 1 84 84 ALA C C 84 177.704 177.704 177.757 -0.053 17628 7276 1 14 . 1 1 84 84 ALA CA C 84 52.535 52.535 53.635 -1.100 17628 7277 1 14 . 1 1 84 84 ALA CB C 84 19.334 19.334 18.318 1.016 17628 7278 1 14 . 1 1 84 84 ALA H H 84 8.162 8.162 8.240 -0.078 17628 7279 1 14 . 1 1 85 85 THR N N 85 112.934 112.934 112.024 0.910 17628 7280 1 14 . 1 1 85 85 THR HA H 85 4.264 4.264 4.061 0.203 17628 7281 1 14 . 1 1 85 85 THR C C 85 174.231 174.231 173.613 0.618 17628 7282 1 14 . 1 1 85 85 THR CA C 85 61.831 61.831 64.007 -2.176 17628 7283 1 14 . 1 1 85 85 THR CB C 85 69.955 69.955 67.355 2.600 17628 7284 1 14 . 1 1 85 85 THR H H 85 7.981 7.981 8.908 -0.927 17628 7285 1 14 . 1 1 86 86 GLN N N 86 123.516 123.516 118.025 5.491 17628 7286 1 14 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.989 -0.379 17628 7287 1 14 . 1 1 86 86 GLN C C 86 173.352 173.352 173.567 -0.215 17628 7288 1 14 . 1 1 86 86 GLN CA C 86 53.606 53.606 53.605 0.001 17628 7289 1 14 . 1 1 86 86 GLN CB C 86 29.094 29.094 29.402 -0.308 17628 7290 1 14 . 1 1 86 86 GLN H H 86 8.217 8.217 8.025 0.192 17628 7291 1 14 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.527 -0.114 17628 7292 1 14 . 1 1 88 88 PRO C C 88 176.930 176.930 175.754 1.176 17628 7293 1 14 . 1 1 88 88 PRO CA C 88 63.105 63.105 62.114 0.991 17628 7294 1 14 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.175 -0.014 17628 7295 1 14 . 1 1 89 89 SER N N 89 116.298 116.298 115.803 0.495 17628 7296 1 14 . 1 1 89 89 SER HA H 89 4.419 4.419 4.481 -0.062 17628 7297 1 14 . 1 1 89 89 SER C C 89 174.469 174.469 174.010 0.459 17628 7298 1 14 . 1 1 89 89 SER CA C 89 58.378 58.378 57.311 1.067 17628 7299 1 14 . 1 1 89 89 SER CB C 89 63.995 63.995 64.191 -0.196 17628 7300 1 14 . 1 1 89 89 SER H H 89 8.358 8.358 8.071 0.287 17628 7301 1 14 . 1 1 90 90 GLU N N 90 122.340 122.340 122.243 0.097 17628 7302 1 14 . 1 1 90 90 GLU HA H 90 4.647 4.647 3.809 0.838 17628 7303 1 14 . 1 1 90 90 GLU C C 90 175.971 175.971 174.922 1.049 17628 7304 1 14 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.825 -1.475 17628 7305 1 14 . 1 1 90 90 GLU CB C 90 30.349 30.349 28.689 1.660 17628 7306 1 14 . 1 1 90 90 GLU H H 90 8.338 8.338 8.517 -0.179 17628 7307 1 14 . 1 1 91 91 GLN N N 91 122.043 122.043 120.566 1.477 17628 7308 1 14 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.778 -0.175 17628 7309 1 14 . 1 1 91 91 GLN C C 91 173.879 173.879 174.463 -0.584 17628 7310 1 14 . 1 1 91 91 GLN CA C 91 53.624 53.624 53.616 0.008 17628 7311 1 14 . 1 1 91 91 GLN CB C 91 29.090 29.090 29.152 -0.062 17628 7312 1 14 . 1 1 91 91 GLN H H 91 8.317 8.317 8.317 0.000 17628 7313 1 14 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.729 -0.312 17628 7314 1 14 . 1 1 92 92 PRO C C 92 177.488 177.488 176.135 1.353 17628 7315 1 14 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.939 0.444 17628 7316 1 14 . 1 1 92 92 PRO CB C 92 32.153 32.153 32.684 -0.531 17628 7317 1 14 . 1 1 93 93 GLY N N 93 109.201 109.201 106.837 2.364 17628 7318 1 14 . 1 1 93 93 GLY C C 93 174.619 174.619 172.512 2.107 17628 7319 1 14 . 1 1 93 93 GLY CA C 93 45.343 45.343 44.827 0.516 17628 7320 1 14 . 1 1 93 93 GLY H H 93 8.480 8.480 7.762 0.718 17628 7321 1 14 . 1 1 94 94 THR N N 94 112.828 112.828 112.149 0.679 17628 7322 1 14 . 1 1 94 94 THR HA H 94 4.356 4.356 4.046 0.310 17628 7323 1 14 . 1 1 94 94 THR C C 94 174.510 174.510 173.633 0.877 17628 7324 1 14 . 1 1 94 94 THR CA C 94 61.816 61.816 62.415 -0.599 17628 7325 1 14 . 1 1 94 94 THR CB C 94 69.913 69.913 69.204 0.709 17628 7326 1 14 . 1 1 94 94 THR H H 94 8.044 8.044 8.025 0.019 17628 7327 1 14 . 1 1 95 95 ASP N N 95 122.173 122.173 119.720 2.453 17628 7328 1 14 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.601 0.005 17628 7329 1 14 . 1 1 95 95 ASP C C 95 176.584 176.584 178.134 -1.550 17628 7330 1 14 . 1 1 95 95 ASP CA C 95 54.631 54.631 54.873 -0.242 17628 7331 1 14 . 1 1 95 95 ASP CB C 95 41.067 41.067 41.659 -0.592 17628 7332 1 14 . 1 1 95 95 ASP H H 95 8.413 8.413 8.578 -0.165 17628 7333 1 14 . 1 1 96 96 GLY N N 96 109.220 109.220 109.445 -0.225 17628 7334 1 14 . 1 1 96 96 GLY C C 96 173.454 173.454 174.104 -0.650 17628 7335 1 14 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.213 0.452 17628 7336 1 14 . 1 1 96 96 GLY H H 96 8.290 8.290 8.088 0.202 17628 7337 1 15 . 1 1 2 2 PRO HA H 2 4.409 4.409 4.714 -0.305 17628 7338 1 15 . 1 1 2 2 PRO C C 2 176.726 176.726 177.072 -0.346 17628 7339 1 15 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.331 0.690 17628 7340 1 15 . 1 1 2 2 PRO CB C 2 32.135 32.135 32.537 -0.402 17628 7341 1 15 . 1 1 3 3 VAL N N 3 120.494 120.494 115.136 5.358 17628 7342 1 15 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.419 -0.425 17628 7343 1 15 . 1 1 3 3 VAL C C 3 175.979 175.979 176.555 -0.576 17628 7344 1 15 . 1 1 3 3 VAL CA C 3 62.467 62.467 60.413 2.054 17628 7345 1 15 . 1 1 3 3 VAL CB C 3 32.545 32.545 33.226 -0.681 17628 7346 1 15 . 1 1 3 3 VAL H H 3 8.140 8.140 7.883 0.257 17628 7347 1 15 . 1 1 4 4 LYS N N 4 126.411 126.411 122.515 3.896 17628 7348 1 15 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.306 0.278 17628 7349 1 15 . 1 1 4 4 LYS C C 4 174.350 174.350 175.503 -1.153 17628 7350 1 15 . 1 1 4 4 LYS CA C 4 54.055 54.055 59.228 -5.173 17628 7351 1 15 . 1 1 4 4 LYS CB C 4 32.579 32.579 30.780 1.799 17628 7352 1 15 . 1 1 4 4 LYS H H 4 8.276 8.276 8.808 -0.532 17628 7353 1 15 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.296 0.129 17628 7354 1 15 . 1 1 5 5 PRO C C 5 176.929 176.929 175.514 1.415 17628 7355 1 15 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.227 -0.032 17628 7356 1 15 . 1 1 5 5 PRO CB C 5 32.088 32.088 29.720 2.368 17628 7357 1 15 . 1 1 6 6 SER N N 6 115.564 115.564 115.821 -0.257 17628 7358 1 15 . 1 1 6 6 SER HA H 6 4.379 4.379 4.304 0.075 17628 7359 1 15 . 1 1 6 6 SER C C 6 174.458 174.458 174.866 -0.408 17628 7360 1 15 . 1 1 6 6 SER CA C 6 58.418 58.418 59.350 -0.932 17628 7361 1 15 . 1 1 6 6 SER CB C 6 63.981 63.981 63.959 0.022 17628 7362 1 15 . 1 1 6 6 SER H H 6 8.283 8.283 8.484 -0.201 17628 7363 1 15 . 1 1 7 7 ARG N N 7 122.599 122.599 121.948 0.651 17628 7364 1 15 . 1 1 7 7 ARG HA H 7 4.424 4.424 4.326 0.098 17628 7365 1 15 . 1 1 7 7 ARG C C 7 176.216 176.216 176.669 -0.453 17628 7366 1 15 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.472 -1.389 17628 7367 1 15 . 1 1 7 7 ARG CB C 7 31.142 31.142 30.004 1.138 17628 7368 1 15 . 1 1 7 7 ARG H H 7 8.321 8.321 7.926 0.395 17628 7369 1 15 . 1 1 8 8 GLY N N 8 110.092 110.092 110.337 -0.245 17628 7370 1 15 . 1 1 8 8 GLY C C 8 171.536 171.536 173.231 -1.695 17628 7371 1 15 . 1 1 8 8 GLY CA C 8 44.474 44.474 45.308 -0.834 17628 7372 1 15 . 1 1 8 8 GLY H H 8 8.248 8.248 7.982 0.266 17628 7373 1 15 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.626 -0.201 17628 7374 1 15 . 1 1 9 9 PRO C C 9 176.675 176.675 175.563 1.112 17628 7375 1 15 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.392 0.808 17628 7376 1 15 . 1 1 9 9 PRO CB C 9 32.242 32.242 32.919 -0.677 17628 7377 1 15 . 1 1 10 10 LEU N N 10 120.335 120.335 120.388 -0.053 17628 7378 1 15 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.813 -0.298 17628 7379 1 15 . 1 1 10 10 LEU C C 10 176.413 176.413 176.037 0.376 17628 7380 1 15 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.515 -0.115 17628 7381 1 15 . 1 1 10 10 LEU CB C 10 43.946 43.946 45.579 -1.633 17628 7382 1 15 . 1 1 10 10 LEU H H 10 8.018 8.018 8.246 -0.228 17628 7383 1 15 . 1 1 11 11 VAL N N 11 120.543 120.543 126.445 -5.902 17628 7384 1 15 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.441 0.014 17628 7385 1 15 . 1 1 11 11 VAL C C 11 174.141 174.141 175.343 -1.202 17628 7386 1 15 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.264 -0.996 17628 7387 1 15 . 1 1 11 11 VAL CB C 11 35.006 35.006 35.108 -0.102 17628 7388 1 15 . 1 1 11 11 VAL H H 11 9.111 9.111 7.982 1.129 17628 7389 1 15 . 1 1 12 12 THR N N 12 120.707 120.707 123.888 -3.181 17628 7390 1 15 . 1 1 12 12 THR HA H 12 4.883 4.883 5.037 -0.154 17628 7391 1 15 . 1 1 12 12 THR C C 12 173.103 173.103 174.074 -0.971 17628 7392 1 15 . 1 1 12 12 THR CA C 12 62.760 62.760 62.783 -0.023 17628 7393 1 15 . 1 1 12 12 THR CB C 12 69.037 69.037 69.591 -0.554 17628 7394 1 15 . 1 1 12 12 THR H H 12 8.886 8.886 8.652 0.234 17628 7395 1 15 . 1 1 13 13 CYS N N 13 124.651 124.651 123.323 1.328 17628 7396 1 15 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.982 -0.100 17628 7397 1 15 . 1 1 13 13 CYS C C 13 174.463 174.463 174.664 -0.201 17628 7398 1 15 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.449 -6.327 17628 7399 1 15 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.825 10.582 17628 7400 1 15 . 1 1 13 13 CYS H H 13 9.165 9.165 8.684 0.481 17628 7401 1 15 . 1 1 14 14 THR N N 14 121.496 121.496 117.941 3.555 17628 7402 1 15 . 1 1 14 14 THR HA H 14 4.001 4.001 4.191 -0.190 17628 7403 1 15 . 1 1 14 14 THR C C 14 172.453 172.453 174.164 -1.711 17628 7404 1 15 . 1 1 14 14 THR CA C 14 66.024 66.024 64.200 1.824 17628 7405 1 15 . 1 1 14 14 THR CB C 14 69.319 69.319 69.203 0.116 17628 7406 1 15 . 1 1 14 14 THR H H 14 8.931 8.931 8.591 0.340 17628 7407 1 15 . 1 1 15 15 CYS N N 15 129.296 129.296 125.321 3.975 17628 7408 1 15 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.783 -0.749 17628 7409 1 15 . 1 1 15 15 CYS C C 15 174.111 174.111 174.248 -0.137 17628 7410 1 15 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.608 -0.601 17628 7411 1 15 . 1 1 15 15 CYS CB C 15 37.153 37.153 31.484 5.669 17628 7412 1 15 . 1 1 15 15 CYS H H 15 8.227 8.227 8.534 -0.307 17628 7413 1 15 . 1 1 16 16 GLU N N 16 127.625 127.625 125.269 2.356 17628 7414 1 15 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.374 0.139 17628 7415 1 15 . 1 1 16 16 GLU C C 16 173.185 173.185 175.189 -2.004 17628 7416 1 15 . 1 1 16 16 GLU CA C 16 56.082 56.082 55.951 0.131 17628 7417 1 15 . 1 1 16 16 GLU CB C 16 32.050 32.050 31.844 0.206 17628 7418 1 15 . 1 1 16 16 GLU H H 16 9.106 9.106 8.902 0.204 17628 7419 1 15 . 1 1 17 17 SER N N 17 123.384 123.384 117.193 6.191 17628 7420 1 15 . 1 1 17 17 SER HA H 17 4.503 4.503 3.947 0.556 17628 7421 1 15 . 1 1 17 17 SER C C 17 172.946 172.946 171.639 1.307 17628 7422 1 15 . 1 1 17 17 SER CA C 17 57.341 57.341 59.704 -2.363 17628 7423 1 15 . 1 1 17 17 SER CB C 17 63.379 63.379 61.633 1.746 17628 7424 1 15 . 1 1 17 17 SER H H 17 7.770 7.770 8.283 -0.513 17628 7425 1 15 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.378 -0.026 17628 7426 1 15 . 1 1 18 18 PRO C C 18 176.600 176.600 176.508 0.092 17628 7427 1 15 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.509 0.918 17628 7428 1 15 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.141 -0.134 17628 7429 1 15 . 1 1 19 19 HIS N N 19 113.110 113.110 115.365 -2.255 17628 7430 1 15 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.763 -0.085 17628 7431 1 15 . 1 1 19 19 HIS C C 19 175.396 175.396 174.400 0.996 17628 7432 1 15 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.426 -0.397 17628 7433 1 15 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.161 -0.753 17628 7434 1 15 . 1 1 19 19 HIS H H 19 7.898 7.898 7.677 0.221 17628 7435 1 15 . 1 1 20 20 CYS N N 20 119.283 119.283 118.611 0.672 17628 7436 1 15 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.645 -0.281 17628 7437 1 15 . 1 1 20 20 CYS C C 20 174.956 174.956 173.984 0.972 17628 7438 1 15 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.282 0.482 17628 7439 1 15 . 1 1 20 20 CYS CB C 20 42.002 42.002 29.137 12.865 17628 7440 1 15 . 1 1 20 20 CYS H H 20 7.305 7.305 7.689 -0.384 17628 7441 1 15 . 1 1 21 21 LYS N N 21 124.199 124.199 123.193 1.006 17628 7442 1 15 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.244 0.159 17628 7443 1 15 . 1 1 21 21 LYS C C 21 175.650 175.650 175.935 -0.285 17628 7444 1 15 . 1 1 21 21 LYS CA C 21 56.112 56.112 55.620 0.492 17628 7445 1 15 . 1 1 21 21 LYS CB C 21 32.166 32.166 32.036 0.130 17628 7446 1 15 . 1 1 21 21 LYS H H 21 8.851 8.851 8.682 0.169 17628 7447 1 15 . 1 1 22 22 GLY N N 22 108.943 108.943 107.461 1.482 17628 7448 1 15 . 1 1 22 22 GLY C C 22 171.467 171.467 172.847 -1.380 17628 7449 1 15 . 1 1 22 22 GLY CA C 22 44.437 44.437 43.495 0.942 17628 7450 1 15 . 1 1 22 22 GLY H H 22 7.768 7.768 7.641 0.127 17628 7451 1 15 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.425 0.389 17628 7452 1 15 . 1 1 23 23 PRO C C 23 177.578 177.578 176.191 1.387 17628 7453 1 15 . 1 1 23 23 PRO CA C 23 64.210 64.210 63.960 0.250 17628 7454 1 15 . 1 1 23 23 PRO CB C 23 32.385 32.385 31.328 1.057 17628 7455 1 15 . 1 1 24 24 THR N N 24 108.931 108.931 107.615 1.316 17628 7456 1 15 . 1 1 24 24 THR HA H 24 5.358 5.358 5.091 0.267 17628 7457 1 15 . 1 1 24 24 THR C C 24 173.043 173.043 173.026 0.017 17628 7458 1 15 . 1 1 24 24 THR CA C 24 59.041 59.041 59.774 -0.733 17628 7459 1 15 . 1 1 24 24 THR CB C 24 73.255 73.255 72.162 1.093 17628 7460 1 15 . 1 1 24 24 THR H H 24 7.599 7.599 7.798 -0.199 17628 7461 1 15 . 1 1 25 25 CYS N N 25 115.152 115.152 118.321 -3.169 17628 7462 1 15 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.820 0.046 17628 7463 1 15 . 1 1 25 25 CYS C C 25 171.952 171.952 172.939 -0.987 17628 7464 1 15 . 1 1 25 25 CYS CA C 25 53.487 53.487 58.102 -4.615 17628 7465 1 15 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.791 15.594 17628 7466 1 15 . 1 1 25 25 CYS H H 25 8.872 8.872 8.577 0.295 17628 7467 1 15 . 1 1 26 26 ARG N N 26 119.551 119.551 124.464 -4.913 17628 7468 1 15 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.960 0.617 17628 7469 1 15 . 1 1 26 26 ARG C C 26 176.621 176.621 175.054 1.567 17628 7470 1 15 . 1 1 26 26 ARG CA C 26 54.125 54.125 55.423 -1.298 17628 7471 1 15 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.997 1.591 17628 7472 1 15 . 1 1 26 26 ARG H H 26 8.481 8.481 8.342 0.139 17628 7473 1 15 . 1 1 27 27 GLY N N 27 111.192 111.192 112.069 -0.877 17628 7474 1 15 . 1 1 27 27 GLY C C 27 170.250 170.250 172.865 -2.615 17628 7475 1 15 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.394 -0.261 17628 7476 1 15 . 1 1 27 27 GLY H H 27 8.866 8.866 8.914 -0.048 17628 7477 1 15 . 1 1 28 28 ALA N N 28 123.763 123.763 122.933 0.830 17628 7478 1 15 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.653 -0.240 17628 7479 1 15 . 1 1 28 28 ALA C C 28 177.525 177.525 175.747 1.778 17628 7480 1 15 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.308 3.409 17628 7481 1 15 . 1 1 28 28 ALA CB C 28 19.214 19.214 21.584 -2.370 17628 7482 1 15 . 1 1 28 28 ALA H H 28 7.732 7.732 8.054 -0.322 17628 7483 1 15 . 1 1 29 29 TRP N N 29 112.576 112.576 114.534 -1.958 17628 7484 1 15 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.836 -0.196 17628 7485 1 15 . 1 1 29 29 TRP C C 29 172.901 172.901 173.576 -0.675 17628 7486 1 15 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.964 3.798 17628 7487 1 15 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.539 0.067 17628 7488 1 15 . 1 1 29 29 TRP H H 29 7.830 7.830 7.319 0.511 17628 7489 1 15 . 1 1 30 30 CYS N N 30 116.421 116.421 121.328 -4.907 17628 7490 1 15 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.560 0.334 17628 7491 1 15 . 1 1 30 30 CYS C C 30 176.719 176.719 175.261 1.458 17628 7492 1 15 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.748 -7.051 17628 7493 1 15 . 1 1 30 30 CYS CB C 30 38.255 38.255 28.041 10.213 17628 7494 1 15 . 1 1 30 30 CYS H H 30 9.319 9.319 8.957 0.362 17628 7495 1 15 . 1 1 31 31 THR N N 31 110.073 110.073 119.331 -9.258 17628 7496 1 15 . 1 1 31 31 THR HA H 31 5.917 5.917 5.758 0.159 17628 7497 1 15 . 1 1 31 31 THR C C 31 177.249 177.249 174.303 2.946 17628 7498 1 15 . 1 1 31 31 THR CA C 31 59.845 59.845 60.153 -0.308 17628 7499 1 15 . 1 1 31 31 THR CB C 31 72.586 72.586 70.793 1.793 17628 7500 1 15 . 1 1 31 31 THR H H 31 8.936 8.936 9.441 -0.505 17628 7501 1 15 . 1 1 32 32 VAL N N 32 122.685 122.685 121.538 1.147 17628 7502 1 15 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.000 -0.238 17628 7503 1 15 . 1 1 32 32 VAL C C 32 173.813 173.813 174.562 -0.749 17628 7504 1 15 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.490 4.229 17628 7505 1 15 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.542 0.330 17628 7506 1 15 . 1 1 32 32 VAL H H 32 8.841 8.841 8.566 0.275 17628 7507 1 15 . 1 1 33 33 VAL N N 33 124.915 124.915 118.620 6.295 17628 7508 1 15 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.738 0.049 17628 7509 1 15 . 1 1 33 33 VAL C C 33 174.014 174.014 174.153 -0.139 17628 7510 1 15 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.343 0.119 17628 7511 1 15 . 1 1 33 33 VAL CB C 33 35.688 35.688 33.802 1.886 17628 7512 1 15 . 1 1 33 33 VAL H H 33 9.047 9.047 8.443 0.604 17628 7513 1 15 . 1 1 34 34 LEU N N 34 127.771 127.771 128.691 -0.920 17628 7514 1 15 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.765 0.124 17628 7515 1 15 . 1 1 34 34 LEU C C 34 175.433 175.433 176.513 -1.080 17628 7516 1 15 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.771 0.244 17628 7517 1 15 . 1 1 34 34 LEU CB C 34 44.427 44.427 42.996 1.431 17628 7518 1 15 . 1 1 34 34 LEU H H 34 8.450 8.450 8.278 0.172 17628 7519 1 15 . 1 1 35 35 VAL N N 35 125.904 125.904 128.721 -2.817 17628 7520 1 15 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.039 0.337 17628 7521 1 15 . 1 1 35 35 VAL C C 35 175.098 175.098 175.270 -0.172 17628 7522 1 15 . 1 1 35 35 VAL CA C 35 61.301 61.301 62.206 -0.905 17628 7523 1 15 . 1 1 35 35 VAL CB C 35 34.190 34.190 29.966 4.224 17628 7524 1 15 . 1 1 35 35 VAL H H 35 8.868 8.868 8.815 0.053 17628 7525 1 15 . 1 1 36 36 ARG N N 36 127.282 127.282 128.678 -1.396 17628 7526 1 15 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.406 0.110 17628 7527 1 15 . 1 1 36 36 ARG C C 36 175.068 175.068 174.869 0.199 17628 7528 1 15 . 1 1 36 36 ARG CA C 36 55.524 55.524 53.925 1.599 17628 7529 1 15 . 1 1 36 36 ARG CB C 36 31.603 31.603 28.976 2.627 17628 7530 1 15 . 1 1 36 36 ARG H H 36 8.665 8.665 7.733 0.932 17628 7531 1 15 . 1 1 37 37 GLU N N 37 124.628 124.628 120.864 3.764 17628 7532 1 15 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.290 0.108 17628 7533 1 15 . 1 1 37 37 GLU C C 37 175.762 175.762 176.425 -0.663 17628 7534 1 15 . 1 1 37 37 GLU CA C 37 55.477 55.477 55.413 0.064 17628 7535 1 15 . 1 1 37 37 GLU CB C 37 31.724 31.724 30.841 0.883 17628 7536 1 15 . 1 1 37 37 GLU H H 37 8.458 8.458 7.600 0.858 17628 7537 1 15 . 1 1 38 38 GLU N N 38 123.236 123.236 126.140 -2.904 17628 7538 1 15 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.018 0.011 17628 7539 1 15 . 1 1 38 38 GLU C C 38 177.354 177.354 176.506 0.848 17628 7540 1 15 . 1 1 38 38 GLU CA C 38 57.924 57.924 57.700 0.224 17628 7541 1 15 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.184 1.086 17628 7542 1 15 . 1 1 38 38 GLU H H 38 8.628 8.628 8.688 -0.060 17628 7543 1 15 . 1 1 39 39 GLY N N 39 111.764 111.764 113.697 -1.933 17628 7544 1 15 . 1 1 39 39 GLY C C 39 173.954 173.954 174.552 -0.598 17628 7545 1 15 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.807 -0.215 17628 7546 1 15 . 1 1 39 39 GLY H H 39 8.670 8.670 8.416 0.254 17628 7547 1 15 . 1 1 40 40 ARG N N 40 118.313 118.313 119.597 -1.284 17628 7548 1 15 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.186 0.403 17628 7549 1 15 . 1 1 40 40 ARG C C 40 175.874 175.874 175.790 0.084 17628 7550 1 15 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.474 -1.889 17628 7551 1 15 . 1 1 40 40 ARG CB C 40 32.502 32.502 30.957 1.545 17628 7552 1 15 . 1 1 40 40 ARG H H 40 7.905 7.905 8.207 -0.302 17628 7553 1 15 . 1 1 41 41 HIS N N 41 120.013 120.013 116.568 3.445 17628 7554 1 15 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.952 -0.097 17628 7555 1 15 . 1 1 41 41 HIS C C 41 173.290 173.290 172.908 0.382 17628 7556 1 15 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.632 0.574 17628 7557 1 15 . 1 1 41 41 HIS CB C 41 28.189 28.189 31.125 -2.937 17628 7558 1 15 . 1 1 41 41 HIS H H 41 8.512 8.512 8.175 0.337 17628 7559 1 15 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.725 -0.085 17628 7560 1 15 . 1 1 42 42 PRO C C 42 175.777 175.777 176.336 -0.559 17628 7561 1 15 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.912 0.608 17628 7562 1 15 . 1 1 42 42 PRO CB C 42 32.493 32.493 31.075 1.418 17628 7563 1 15 . 1 1 43 43 GLN N N 43 120.474 120.474 122.664 -2.190 17628 7564 1 15 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.511 0.086 17628 7565 1 15 . 1 1 43 43 GLN C C 43 173.963 173.963 174.556 -0.593 17628 7566 1 15 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.270 0.214 17628 7567 1 15 . 1 1 43 43 GLN CB C 43 32.563 32.563 33.197 -0.633 17628 7568 1 15 . 1 1 43 43 GLN H H 43 8.524 8.524 7.806 0.718 17628 7569 1 15 . 1 1 44 44 GLU N N 44 122.323 122.323 124.755 -2.432 17628 7570 1 15 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.262 0.825 17628 7571 1 15 . 1 1 44 44 GLU C C 44 175.650 175.650 175.591 0.059 17628 7572 1 15 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.195 -0.760 17628 7573 1 15 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.587 1.951 17628 7574 1 15 . 1 1 44 44 GLU H H 44 8.751 8.751 8.783 -0.032 17628 7575 1 15 . 1 1 45 45 HIS N N 45 122.818 122.818 125.309 -2.491 17628 7576 1 15 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.151 0.238 17628 7577 1 15 . 1 1 45 45 HIS C C 45 174.918 174.918 174.332 0.586 17628 7578 1 15 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.540 -1.382 17628 7579 1 15 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.014 2.376 17628 7580 1 15 . 1 1 45 45 HIS H H 45 9.202 9.202 8.531 0.671 17628 7581 1 15 . 1 1 46 46 ARG N N 46 122.260 122.260 122.945 -0.685 17628 7582 1 15 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.183 0.034 17628 7583 1 15 . 1 1 46 46 ARG C C 46 176.255 176.255 175.173 1.082 17628 7584 1 15 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.595 0.249 17628 7585 1 15 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.534 -2.141 17628 7586 1 15 . 1 1 46 46 ARG H H 46 8.847 8.847 8.649 0.198 17628 7587 1 15 . 1 1 47 47 GLY N N 47 114.135 114.135 108.478 5.657 17628 7588 1 15 . 1 1 47 47 GLY C C 47 171.175 171.175 172.237 -1.062 17628 7589 1 15 . 1 1 47 47 GLY CA C 47 47.672 47.672 46.028 1.644 17628 7590 1 15 . 1 1 47 47 GLY H H 47 8.210 8.210 8.502 -0.292 17628 7591 1 15 . 1 1 48 48 CYS N N 48 118.698 118.698 120.549 -1.851 17628 7592 1 15 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.820 -0.628 17628 7593 1 15 . 1 1 48 48 CYS C C 48 173.522 173.522 175.905 -2.383 17628 7594 1 15 . 1 1 48 48 CYS CA C 48 58.600 58.600 55.519 3.081 17628 7595 1 15 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.147 16.786 17628 7596 1 15 . 1 1 48 48 CYS H H 48 8.322 8.322 8.405 -0.083 17628 7597 1 15 . 1 1 49 49 GLY N N 49 112.213 112.213 112.686 -0.473 17628 7598 1 15 . 1 1 49 49 GLY C C 49 170.413 170.413 172.713 -2.300 17628 7599 1 15 . 1 1 49 49 GLY CA C 49 43.104 43.104 44.144 -1.040 17628 7600 1 15 . 1 1 49 49 GLY H H 49 8.679 8.679 8.777 -0.098 17628 7601 1 15 . 1 1 50 50 ASN N N 50 115.420 115.420 121.663 -6.243 17628 7602 1 15 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.643 -0.615 17628 7603 1 15 . 1 1 50 50 ASN C C 50 173.574 173.574 175.817 -2.243 17628 7604 1 15 . 1 1 50 50 ASN CA C 50 54.381 54.381 52.469 1.911 17628 7605 1 15 . 1 1 50 50 ASN CB C 50 42.721 42.721 40.197 2.524 17628 7606 1 15 . 1 1 50 50 ASN H H 50 8.103 8.103 8.307 -0.204 17628 7607 1 15 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.121 0.534 17628 7608 1 15 . 1 1 51 51 LEU C C 51 176.323 176.323 176.714 -0.391 17628 7609 1 15 . 1 1 51 51 LEU CA C 51 54.399 54.399 55.511 -1.112 17628 7610 1 15 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.006 4.600 17628 7611 1 15 . 1 1 52 52 HIS N N 52 115.835 115.835 117.548 -1.713 17628 7612 1 15 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.657 0.330 17628 7613 1 15 . 1 1 52 52 HIS C C 52 176.442 176.442 175.809 0.633 17628 7614 1 15 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.726 0.257 17628 7615 1 15 . 1 1 52 52 HIS CB C 52 26.270 26.270 30.340 -4.070 17628 7616 1 15 . 1 1 52 52 HIS H H 52 8.904 8.904 7.751 1.153 17628 7617 1 15 . 1 1 53 53 ARG N N 53 124.169 124.169 126.953 -2.784 17628 7618 1 15 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.205 -0.885 17628 7619 1 15 . 1 1 53 53 ARG C C 53 177.862 177.862 177.491 0.371 17628 7620 1 15 . 1 1 53 53 ARG CA C 53 57.358 57.358 58.174 -0.816 17628 7621 1 15 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.037 -0.383 17628 7622 1 15 . 1 1 53 53 ARG H H 53 8.876 8.876 8.714 0.162 17628 7623 1 15 . 1 1 54 54 GLU N N 54 118.465 118.465 119.596 -1.131 17628 7624 1 15 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.132 -0.099 17628 7625 1 15 . 1 1 54 54 GLU C C 54 177.704 177.704 177.952 -0.248 17628 7626 1 15 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.814 -0.071 17628 7627 1 15 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.994 -2.050 17628 7628 1 15 . 1 1 54 54 GLU H H 54 9.759 9.759 8.661 1.098 17628 7629 1 15 . 1 1 55 55 LEU N N 55 120.238 120.238 118.650 1.588 17628 7630 1 15 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.493 -0.437 17628 7631 1 15 . 1 1 55 55 LEU C C 55 177.601 177.601 175.607 1.994 17628 7632 1 15 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.040 0.842 17628 7633 1 15 . 1 1 55 55 LEU CB C 55 41.225 41.225 40.551 0.674 17628 7634 1 15 . 1 1 55 55 LEU H H 55 7.351 7.351 7.693 -0.342 17628 7635 1 15 . 1 1 56 56 CYS N N 56 115.234 115.234 116.257 -1.023 17628 7636 1 15 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.256 0.005 17628 7637 1 15 . 1 1 56 56 CYS C C 56 175.060 175.060 172.664 2.396 17628 7638 1 15 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.389 -1.506 17628 7639 1 15 . 1 1 56 56 CYS CB C 56 38.516 38.516 28.015 10.501 17628 7640 1 15 . 1 1 56 56 CYS H H 56 7.640 7.640 7.655 -0.015 17628 7641 1 15 . 1 1 57 57 ARG N N 57 119.272 119.272 118.297 0.975 17628 7642 1 15 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.489 -0.005 17628 7643 1 15 . 1 1 57 57 ARG C C 57 176.114 176.114 173.619 2.495 17628 7644 1 15 . 1 1 57 57 ARG CA C 57 55.323 55.323 55.887 -0.564 17628 7645 1 15 . 1 1 57 57 ARG CB C 57 31.650 31.650 31.255 0.395 17628 7646 1 15 . 1 1 57 57 ARG H H 57 7.626 7.626 7.396 0.230 17628 7647 1 15 . 1 1 58 58 GLY N N 58 108.813 108.813 110.444 -1.631 17628 7648 1 15 . 1 1 58 58 GLY C C 58 173.663 173.663 173.537 0.126 17628 7649 1 15 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.512 -0.155 17628 7650 1 15 . 1 1 58 58 GLY H H 58 8.139 8.139 8.690 -0.551 17628 7651 1 15 . 1 1 59 59 ARG N N 59 121.042 121.042 121.541 -0.499 17628 7652 1 15 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.763 -0.007 17628 7653 1 15 . 1 1 59 59 ARG C C 59 174.784 174.784 173.598 1.186 17628 7654 1 15 . 1 1 59 59 ARG CA C 59 53.834 53.834 53.186 0.648 17628 7655 1 15 . 1 1 59 59 ARG CB C 59 30.716 30.716 31.686 -0.970 17628 7656 1 15 . 1 1 59 59 ARG H H 59 8.216 8.216 8.296 -0.080 17628 7657 1 15 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.652 -0.178 17628 7658 1 15 . 1 1 60 60 PRO C C 60 176.726 176.726 176.786 -0.060 17628 7659 1 15 . 1 1 60 60 PRO CA C 60 63.849 63.849 62.805 1.044 17628 7660 1 15 . 1 1 60 60 PRO CB C 60 31.909 31.909 31.392 0.517 17628 7661 1 15 . 1 1 61 61 THR N N 61 110.945 110.945 116.760 -5.815 17628 7662 1 15 . 1 1 61 61 THR HA H 61 4.426 4.426 4.102 0.324 17628 7663 1 15 . 1 1 61 61 THR C C 61 174.238 174.238 174.858 -0.620 17628 7664 1 15 . 1 1 61 61 THR CA C 61 61.219 61.219 63.467 -2.248 17628 7665 1 15 . 1 1 61 61 THR CB C 61 70.449 70.449 69.671 0.778 17628 7666 1 15 . 1 1 61 61 THR H H 61 7.940 7.940 8.220 -0.280 17628 7667 1 15 . 1 1 62 62 GLU N N 62 119.936 119.936 118.383 1.553 17628 7668 1 15 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.292 -0.122 17628 7669 1 15 . 1 1 62 62 GLU C C 62 175.889 175.889 176.992 -1.103 17628 7670 1 15 . 1 1 62 62 GLU CA C 62 57.090 57.090 56.375 0.715 17628 7671 1 15 . 1 1 62 62 GLU CB C 62 30.109 30.109 30.164 -0.055 17628 7672 1 15 . 1 1 62 62 GLU H H 62 8.342 8.342 8.127 0.215 17628 7673 1 15 . 1 1 63 63 PHE N N 63 117.934 117.934 121.202 -3.268 17628 7674 1 15 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.842 -0.243 17628 7675 1 15 . 1 1 63 63 PHE C C 63 175.367 175.367 173.992 1.375 17628 7676 1 15 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.194 0.956 17628 7677 1 15 . 1 1 63 63 PHE CB C 63 39.511 39.511 38.257 1.254 17628 7678 1 15 . 1 1 63 63 PHE H H 63 8.137 8.137 7.437 0.700 17628 7679 1 15 . 1 1 64 64 VAL N N 64 120.294 120.294 120.396 -0.102 17628 7680 1 15 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.379 0.004 17628 7681 1 15 . 1 1 64 64 VAL C C 64 174.649 174.649 173.323 1.326 17628 7682 1 15 . 1 1 64 64 VAL CA C 64 62.287 62.287 62.307 -0.020 17628 7683 1 15 . 1 1 64 64 VAL CB C 64 33.405 33.405 34.811 -1.406 17628 7684 1 15 . 1 1 64 64 VAL H H 64 7.792 7.792 7.177 0.615 17628 7685 1 15 . 1 1 65 65 ASN N N 65 121.166 121.166 127.012 -5.846 17628 7686 1 15 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.971 -0.074 17628 7687 1 15 . 1 1 65 65 ASN C C 65 173.716 173.716 173.600 0.116 17628 7688 1 15 . 1 1 65 65 ASN CA C 65 52.908 52.908 52.065 0.843 17628 7689 1 15 . 1 1 65 65 ASN CB C 65 40.357 40.357 39.076 1.281 17628 7690 1 15 . 1 1 65 65 ASN H H 65 8.455 8.455 8.343 0.112 17628 7691 1 15 . 1 1 66 66 HIS N N 66 121.303 121.303 125.482 -4.179 17628 7692 1 15 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.439 -0.388 17628 7693 1 15 . 1 1 66 66 HIS C C 66 172.730 172.730 174.466 -1.736 17628 7694 1 15 . 1 1 66 66 HIS CA C 66 55.764 55.764 55.004 0.760 17628 7695 1 15 . 1 1 66 66 HIS CB C 66 31.856 31.856 28.955 2.901 17628 7696 1 15 . 1 1 66 66 HIS H H 66 8.128 8.128 8.562 -0.434 17628 7697 1 15 . 1 1 67 67 TYR N N 67 125.626 125.626 127.793 -2.167 17628 7698 1 15 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.688 0.249 17628 7699 1 15 . 1 1 67 67 TYR C C 67 174.178 174.178 173.618 0.560 17628 7700 1 15 . 1 1 67 67 TYR CA C 67 57.181 57.181 58.617 -1.436 17628 7701 1 15 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.188 0.959 17628 7702 1 15 . 1 1 67 67 TYR H H 67 9.065 9.065 8.592 0.473 17628 7703 1 15 . 1 1 68 68 CYS N N 68 123.801 123.801 121.030 2.771 17628 7704 1 15 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.495 0.304 17628 7705 1 15 . 1 1 68 68 CYS C C 68 171.347 171.347 173.998 -2.651 17628 7706 1 15 . 1 1 68 68 CYS CA C 68 51.895 51.895 56.607 -4.712 17628 7707 1 15 . 1 1 68 68 CYS CB C 68 45.198 45.198 28.269 16.929 17628 7708 1 15 . 1 1 68 68 CYS H H 68 7.902 7.902 7.301 0.601 17628 7709 1 15 . 1 1 69 69 CYS N N 69 115.715 115.715 122.698 -6.983 17628 7710 1 15 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.545 0.237 17628 7711 1 15 . 1 1 69 69 CYS C C 69 173.552 173.552 175.098 -1.546 17628 7712 1 15 . 1 1 69 69 CYS CA C 69 54.996 54.996 59.178 -4.183 17628 7713 1 15 . 1 1 69 69 CYS CB C 69 44.900 44.900 29.410 15.490 17628 7714 1 15 . 1 1 69 69 CYS H H 69 8.843 8.843 8.834 0.009 17628 7715 1 15 . 1 1 70 70 ASP N N 70 120.487 120.487 119.532 0.955 17628 7716 1 15 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.718 0.446 17628 7717 1 15 . 1 1 70 70 ASP C C 70 174.507 174.507 176.134 -1.627 17628 7718 1 15 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.793 0.034 17628 7719 1 15 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.674 0.807 17628 7720 1 15 . 1 1 70 70 ASP H H 70 8.531 8.531 8.672 -0.141 17628 7721 1 15 . 1 1 71 71 SER N N 71 113.179 113.179 113.434 -0.255 17628 7722 1 15 . 1 1 71 71 SER HA H 71 4.896 4.896 4.585 0.311 17628 7723 1 15 . 1 1 71 71 SER C C 71 173.387 173.387 172.820 0.567 17628 7724 1 15 . 1 1 71 71 SER CA C 71 57.709 57.709 56.635 1.074 17628 7725 1 15 . 1 1 71 71 SER CB C 71 66.587 66.587 64.455 2.132 17628 7726 1 15 . 1 1 71 71 SER H H 71 7.641 7.641 7.606 0.035 17628 7727 1 15 . 1 1 72 72 HIS N N 72 119.348 119.348 119.957 -0.609 17628 7728 1 15 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.735 -0.197 17628 7729 1 15 . 1 1 72 72 HIS C C 72 176.173 176.173 175.603 0.570 17628 7730 1 15 . 1 1 72 72 HIS CA C 72 58.734 58.734 55.838 2.896 17628 7731 1 15 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.756 2.019 17628 7732 1 15 . 1 1 72 72 HIS H H 72 8.308 8.308 8.091 0.217 17628 7733 1 15 . 1 1 73 73 LEU N N 73 123.124 123.124 118.720 4.404 17628 7734 1 15 . 1 1 73 73 LEU HA H 73 3.768 3.768 4.091 -0.323 17628 7735 1 15 . 1 1 73 73 LEU C C 73 178.572 178.572 176.139 2.433 17628 7736 1 15 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.291 1.311 17628 7737 1 15 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.231 0.771 17628 7738 1 15 . 1 1 73 73 LEU H H 73 9.769 9.769 8.988 0.781 17628 7739 1 15 . 1 1 74 74 CYS N N 74 116.789 116.789 117.711 -0.922 17628 7740 1 15 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.504 -0.082 17628 7741 1 15 . 1 1 74 74 CYS C C 74 174.644 174.644 176.374 -1.730 17628 7742 1 15 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.495 -0.935 17628 7743 1 15 . 1 1 74 74 CYS CB C 74 44.268 44.268 27.929 16.339 17628 7744 1 15 . 1 1 74 74 CYS H H 74 8.488 8.488 8.099 0.389 17628 7745 1 15 . 1 1 75 75 ASN N N 75 118.193 118.193 119.002 -0.809 17628 7746 1 15 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.663 -0.245 17628 7747 1 15 . 1 1 75 75 ASN C C 75 175.216 175.216 175.620 -0.404 17628 7748 1 15 . 1 1 75 75 ASN CA C 75 52.578 52.578 54.314 -1.736 17628 7749 1 15 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.450 0.163 17628 7750 1 15 . 1 1 75 75 ASN H H 75 8.432 8.432 8.377 0.055 17628 7751 1 15 . 1 1 76 76 HIS N N 76 120.329 120.329 118.771 1.558 17628 7752 1 15 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.502 -0.335 17628 7753 1 15 . 1 1 76 76 HIS C C 76 174.631 174.631 174.873 -0.242 17628 7754 1 15 . 1 1 76 76 HIS CA C 76 59.328 59.328 59.257 0.071 17628 7755 1 15 . 1 1 76 76 HIS CB C 76 29.708 29.708 30.357 -0.648 17628 7756 1 15 . 1 1 76 76 HIS H H 76 7.768 7.768 7.660 0.108 17628 7757 1 15 . 1 1 77 77 ASN N N 77 115.167 115.167 117.564 -2.397 17628 7758 1 15 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.903 -0.345 17628 7759 1 15 . 1 1 77 77 ASN C C 77 174.522 174.522 173.917 0.605 17628 7760 1 15 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.274 0.590 17628 7761 1 15 . 1 1 77 77 ASN CB C 77 38.719 38.719 39.440 -0.721 17628 7762 1 15 . 1 1 77 77 ASN H H 77 8.457 8.457 7.679 0.778 17628 7763 1 15 . 1 1 78 78 VAL N N 78 119.202 119.202 118.824 0.378 17628 7764 1 15 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.229 -0.386 17628 7765 1 15 . 1 1 78 78 VAL C C 78 174.709 174.709 173.884 0.825 17628 7766 1 15 . 1 1 78 78 VAL CA C 78 62.643 62.643 60.250 2.393 17628 7767 1 15 . 1 1 78 78 VAL CB C 78 33.309 33.309 34.894 -1.585 17628 7768 1 15 . 1 1 78 78 VAL H H 78 6.691 6.691 7.332 -0.641 17628 7769 1 15 . 1 1 79 79 SER HA H 79 4.846 4.846 4.871 -0.025 17628 7770 1 15 . 1 1 79 79 SER C C 79 174.082 174.082 173.418 0.664 17628 7771 1 15 . 1 1 79 79 SER CA C 79 56.222 56.222 57.715 -1.493 17628 7772 1 15 . 1 1 79 79 SER CB C 79 64.855 64.855 64.047 0.808 17628 7773 1 15 . 1 1 80 80 LEU N N 80 126.815 126.815 129.352 -2.537 17628 7774 1 15 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.615 -0.255 17628 7775 1 15 . 1 1 80 80 LEU C C 80 176.897 176.897 174.820 2.077 17628 7776 1 15 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.303 -0.004 17628 7777 1 15 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.895 -0.223 17628 7778 1 15 . 1 1 80 80 LEU H H 80 9.623 9.623 8.906 0.717 17628 7779 1 15 . 1 1 81 81 VAL N N 81 117.921 117.921 119.663 -1.742 17628 7780 1 15 . 1 1 81 81 VAL HA H 81 3.944 3.944 4.165 -0.221 17628 7781 1 15 . 1 1 81 81 VAL C C 81 175.889 175.889 174.126 1.763 17628 7782 1 15 . 1 1 81 81 VAL CA C 81 62.536 62.536 62.229 0.307 17628 7783 1 15 . 1 1 81 81 VAL CB C 81 32.869 32.869 33.888 -1.019 17628 7784 1 15 . 1 1 81 81 VAL H H 81 7.824 7.824 7.728 0.096 17628 7785 1 15 . 1 1 82 82 LEU N N 82 124.533 124.533 126.277 -1.744 17628 7786 1 15 . 1 1 82 82 LEU HA H 82 4.291 4.291 3.949 0.342 17628 7787 1 15 . 1 1 82 82 LEU C C 82 177.197 177.197 176.912 0.285 17628 7788 1 15 . 1 1 82 82 LEU CA C 82 55.131 55.131 55.633 -0.501 17628 7789 1 15 . 1 1 82 82 LEU CB C 82 42.291 42.291 39.947 2.344 17628 7790 1 15 . 1 1 82 82 LEU H H 82 8.059 8.059 8.844 -0.785 17628 7791 1 15 . 1 1 83 83 GLU N N 83 120.926 120.926 121.614 -0.688 17628 7792 1 15 . 1 1 83 83 GLU HA H 83 4.182 4.182 3.999 0.183 17628 7793 1 15 . 1 1 83 83 GLU C C 83 175.897 175.897 175.590 0.307 17628 7794 1 15 . 1 1 83 83 GLU CA C 83 56.515 56.515 57.489 -0.974 17628 7795 1 15 . 1 1 83 83 GLU CB C 83 30.167 30.167 28.723 1.444 17628 7796 1 15 . 1 1 83 83 GLU H H 83 8.047 8.047 8.450 -0.403 17628 7797 1 15 . 1 1 84 84 ALA N N 84 124.350 124.350 128.354 -4.004 17628 7798 1 15 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.445 -0.141 17628 7799 1 15 . 1 1 84 84 ALA C C 84 177.704 177.704 176.322 1.382 17628 7800 1 15 . 1 1 84 84 ALA CA C 84 52.535 52.535 52.025 0.510 17628 7801 1 15 . 1 1 84 84 ALA CB C 84 19.334 19.334 20.257 -0.923 17628 7802 1 15 . 1 1 84 84 ALA H H 84 8.162 8.162 8.126 0.036 17628 7803 1 15 . 1 1 85 85 THR N N 85 112.934 112.934 116.537 -3.603 17628 7804 1 15 . 1 1 85 85 THR HA H 85 4.264 4.264 3.908 0.356 17628 7805 1 15 . 1 1 85 85 THR C C 85 174.231 174.231 174.397 -0.166 17628 7806 1 15 . 1 1 85 85 THR CA C 85 61.831 61.831 63.356 -1.525 17628 7807 1 15 . 1 1 85 85 THR CB C 85 69.955 69.955 67.780 2.175 17628 7808 1 15 . 1 1 85 85 THR H H 85 7.981 7.981 9.468 -1.487 17628 7809 1 15 . 1 1 86 86 GLN N N 86 123.516 123.516 116.350 7.166 17628 7810 1 15 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.522 0.088 17628 7811 1 15 . 1 1 86 86 GLN C C 86 173.352 173.352 173.551 -0.199 17628 7812 1 15 . 1 1 86 86 GLN CA C 86 53.606 53.606 57.101 -3.495 17628 7813 1 15 . 1 1 86 86 GLN CB C 86 29.094 29.094 28.774 0.320 17628 7814 1 15 . 1 1 86 86 GLN H H 86 8.217 8.217 8.451 -0.234 17628 7815 1 15 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.381 0.032 17628 7816 1 15 . 1 1 88 88 PRO C C 88 176.930 176.930 176.372 0.558 17628 7817 1 15 . 1 1 88 88 PRO CA C 88 63.105 63.105 64.108 -1.003 17628 7818 1 15 . 1 1 88 88 PRO CB C 88 32.160 32.160 30.672 1.488 17628 7819 1 15 . 1 1 89 89 SER N N 89 116.298 116.298 120.829 -4.531 17628 7820 1 15 . 1 1 89 89 SER HA H 89 4.419 4.419 4.366 0.053 17628 7821 1 15 . 1 1 89 89 SER C C 89 174.469 174.469 175.287 -0.818 17628 7822 1 15 . 1 1 89 89 SER CA C 89 58.378 58.378 59.603 -1.225 17628 7823 1 15 . 1 1 89 89 SER CB C 89 63.995 63.995 64.344 -0.349 17628 7824 1 15 . 1 1 89 89 SER H H 89 8.358 8.358 7.958 0.400 17628 7825 1 15 . 1 1 90 90 GLU N N 90 122.340 122.340 119.682 2.658 17628 7826 1 15 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.481 0.166 17628 7827 1 15 . 1 1 90 90 GLU C C 90 175.971 175.971 175.956 0.015 17628 7828 1 15 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.452 -1.102 17628 7829 1 15 . 1 1 90 90 GLU CB C 90 30.349 30.349 30.923 -0.574 17628 7830 1 15 . 1 1 90 90 GLU H H 90 8.338 8.338 7.670 0.668 17628 7831 1 15 . 1 1 91 91 GLN N N 91 122.043 122.043 119.824 2.219 17628 7832 1 15 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.799 -0.196 17628 7833 1 15 . 1 1 91 91 GLN C C 91 173.879 173.879 173.829 0.050 17628 7834 1 15 . 1 1 91 91 GLN CA C 91 53.624 53.624 52.399 1.225 17628 7835 1 15 . 1 1 91 91 GLN CB C 91 29.090 29.090 30.336 -1.246 17628 7836 1 15 . 1 1 91 91 GLN H H 91 8.317 8.317 7.490 0.827 17628 7837 1 15 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.613 -0.196 17628 7838 1 15 . 1 1 92 92 PRO C C 92 177.488 177.488 176.098 1.390 17628 7839 1 15 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.676 0.707 17628 7840 1 15 . 1 1 92 92 PRO CB C 92 32.153 32.153 31.023 1.129 17628 7841 1 15 . 1 1 93 93 GLY N N 93 109.201 109.201 107.616 1.585 17628 7842 1 15 . 1 1 93 93 GLY C C 93 174.619 174.619 175.719 -1.100 17628 7843 1 15 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.239 0.104 17628 7844 1 15 . 1 1 93 93 GLY H H 93 8.480 8.480 7.571 0.909 17628 7845 1 15 . 1 1 94 94 THR N N 94 112.828 112.828 115.045 -2.217 17628 7846 1 15 . 1 1 94 94 THR HA H 94 4.356 4.356 4.217 0.139 17628 7847 1 15 . 1 1 94 94 THR C C 94 174.510 174.510 174.554 -0.044 17628 7848 1 15 . 1 1 94 94 THR CA C 94 61.816 61.816 63.202 -1.386 17628 7849 1 15 . 1 1 94 94 THR CB C 94 69.913 69.913 69.073 0.840 17628 7850 1 15 . 1 1 94 94 THR H H 94 8.044 8.044 7.602 0.442 17628 7851 1 15 . 1 1 95 95 ASP N N 95 122.173 122.173 120.454 1.719 17628 7852 1 15 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.671 -0.065 17628 7853 1 15 . 1 1 95 95 ASP C C 95 176.584 176.584 174.955 1.629 17628 7854 1 15 . 1 1 95 95 ASP CA C 95 54.631 54.631 53.024 1.607 17628 7855 1 15 . 1 1 95 95 ASP CB C 95 41.067 41.067 42.842 -1.775 17628 7856 1 15 . 1 1 95 95 ASP H H 95 8.413 8.413 8.146 0.267 17628 7857 1 15 . 1 1 96 96 GLY N N 96 109.220 109.220 106.170 3.050 17628 7858 1 15 . 1 1 96 96 GLY C C 96 173.454 173.454 173.925 -0.471 17628 7859 1 15 . 1 1 96 96 GLY CA C 96 45.665 45.665 44.790 0.875 17628 7860 1 15 . 1 1 96 96 GLY H H 96 8.290 8.290 8.193 0.097 17628 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 83 3.378 0.764 3.310 17628 2 1 1 "Average Difference" HA 103 0.366 -0.030 0.366 17628 3 1 1 "Average Difference" C 94 1.164 -0.052 1.169 17628 4 1 1 "Average Difference" CA 94 1.820 0.256 1.812 17628 5 1 1 "Average Difference" CB 85 4.945 -2.080 4.513 17628 6 1 1 "Average Difference" HN 83 0.481 -0.105 0.472 17628 7 1 2 "Average Difference" N 83 3.153 -0.049 3.171 17628 8 1 2 "Average Difference" HA 103 0.381 -0.000 0.382 17628 9 1 2 "Average Difference" C 94 1.276 -0.066 1.281 17628 10 1 2 "Average Difference" CA 94 1.867 0.318 1.850 17628 11 1 2 "Average Difference" CB 85 4.952 -1.960 4.574 17628 12 1 2 "Average Difference" HN 83 0.490 -0.124 0.477 17628 13 1 3 "Average Difference" N 83 3.327 0.709 3.271 17628 14 1 3 "Average Difference" HA 103 0.378 0.001 0.380 17628 15 1 3 "Average Difference" C 94 1.154 -0.017 1.160 17628 16 1 3 "Average Difference" CA 94 1.859 0.128 1.865 17628 17 1 3 "Average Difference" CB 85 4.881 -2.079 4.442 17628 18 1 3 "Average Difference" HN 83 0.542 -0.099 0.536 17628 19 1 4 "Average Difference" N 83 2.911 0.109 2.927 17628 20 1 4 "Average Difference" HA 103 0.370 -0.005 0.372 17628 21 1 4 "Average Difference" C 94 1.216 -0.087 1.220 17628 22 1 4 "Average Difference" CA 94 1.772 0.166 1.774 17628 23 1 4 "Average Difference" CB 85 4.856 -2.140 4.385 17628 24 1 4 "Average Difference" HN 83 0.485 -0.101 0.477 17628 25 1 5 "Average Difference" N 83 3.141 0.496 3.120 17628 26 1 5 "Average Difference" HA 103 0.371 -0.021 0.372 17628 27 1 5 "Average Difference" C 94 1.132 -0.023 1.137 17628 28 1 5 "Average Difference" CA 94 1.709 0.199 1.706 17628 29 1 5 "Average Difference" CB 85 4.919 -2.109 4.470 17628 30 1 5 "Average Difference" HN 83 0.456 -0.106 0.446 17628 31 1 6 "Average Difference" N 83 3.404 0.559 3.378 17628 32 1 6 "Average Difference" HA 103 0.430 0.004 0.432 17628 33 1 6 "Average Difference" C 94 1.121 -0.046 1.126 17628 34 1 6 "Average Difference" CA 94 1.745 0.208 1.742 17628 35 1 6 "Average Difference" CB 85 4.746 -1.975 4.341 17628 36 1 6 "Average Difference" HN 83 0.505 -0.143 0.487 17628 37 1 7 "Average Difference" N 83 3.024 0.398 3.016 17628 38 1 7 "Average Difference" HA 103 0.371 0.026 0.372 17628 39 1 7 "Average Difference" C 94 1.145 -0.092 1.147 17628 40 1 7 "Average Difference" CA 94 1.800 0.075 1.808 17628 41 1 7 "Average Difference" CB 85 4.885 -1.876 4.537 17628 42 1 7 "Average Difference" HN 83 0.517 -0.105 0.510 17628 43 1 8 "Average Difference" N 83 3.558 -0.328 3.565 17628 44 1 8 "Average Difference" HA 103 0.388 0.029 0.389 17628 45 1 8 "Average Difference" C 94 1.240 -0.088 1.243 17628 46 1 8 "Average Difference" CA 94 1.763 0.050 1.771 17628 47 1 8 "Average Difference" CB 85 4.745 -1.858 4.392 17628 48 1 8 "Average Difference" HN 83 0.476 -0.098 0.469 17628 49 1 9 "Average Difference" N 83 3.152 0.668 3.099 17628 50 1 9 "Average Difference" HA 103 0.352 0.001 0.354 17628 51 1 9 "Average Difference" C 94 1.239 -0.051 1.244 17628 52 1 9 "Average Difference" CA 94 1.698 0.247 1.689 17628 53 1 9 "Average Difference" CB 85 4.878 -2.131 4.413 17628 54 1 9 "Average Difference" HN 83 0.520 -0.112 0.511 17628 55 1 10 "Average Difference" N 83 3.624 0.175 3.642 17628 56 1 10 "Average Difference" HA 103 0.358 -0.011 0.359 17628 57 1 10 "Average Difference" C 94 1.180 -0.042 1.185 17628 58 1 10 "Average Difference" CA 94 1.821 0.066 1.830 17628 59 1 10 "Average Difference" CB 85 4.827 -2.116 4.364 17628 60 1 10 "Average Difference" HN 83 0.487 -0.123 0.474 17628 61 1 11 "Average Difference" N 83 3.519 0.311 3.527 17628 62 1 11 "Average Difference" HA 103 0.407 0.067 0.403 17628 63 1 11 "Average Difference" C 94 1.199 -0.103 1.201 17628 64 1 11 "Average Difference" CA 94 1.827 0.185 1.828 17628 65 1 11 "Average Difference" CB 85 4.785 -1.971 4.387 17628 66 1 11 "Average Difference" HN 83 0.483 -0.153 0.461 17628 67 1 12 "Average Difference" N 83 3.218 0.203 3.231 17628 68 1 12 "Average Difference" HA 103 0.379 0.007 0.381 17628 69 1 12 "Average Difference" C 94 1.251 -0.103 1.254 17628 70 1 12 "Average Difference" CA 94 1.718 0.287 1.703 17628 71 1 12 "Average Difference" CB 85 4.734 -2.024 4.305 17628 72 1 12 "Average Difference" HN 83 0.478 -0.147 0.457 17628 73 1 13 "Average Difference" N 83 3.370 0.782 3.298 17628 74 1 13 "Average Difference" HA 103 0.421 0.035 0.422 17628 75 1 13 "Average Difference" C 94 1.216 -0.135 1.215 17628 76 1 13 "Average Difference" CA 94 1.675 0.068 1.683 17628 77 1 13 "Average Difference" CB 85 4.812 -2.060 4.375 17628 78 1 13 "Average Difference" HN 83 0.490 -0.053 0.490 17628 79 1 14 "Average Difference" N 83 3.356 0.213 3.369 17628 80 1 14 "Average Difference" HA 103 0.354 -0.028 0.354 17628 81 1 14 "Average Difference" C 94 1.188 0.021 1.194 17628 82 1 14 "Average Difference" CA 94 1.820 0.194 1.819 17628 83 1 14 "Average Difference" CB 85 4.843 -2.139 4.371 17628 84 1 14 "Average Difference" HN 83 0.443 -0.091 0.437 17628 85 1 15 "Average Difference" N 83 3.223 0.510 3.201 17628 86 1 15 "Average Difference" HA 103 0.372 0.047 0.371 17628 87 1 15 "Average Difference" C 94 1.218 -0.020 1.224 17628 88 1 15 "Average Difference" CA 94 1.902 0.229 1.898 17628 89 1 15 "Average Difference" CB 85 4.896 -1.943 4.520 17628 90 1 15 "Average Difference" HN 83 0.491 -0.153 0.470 17628 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 17628 _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 PRO HA H 2 4.409 4.409 4.569 -0.160 17628 2 1 . 1 1 2 2 PRO C C 2 176.726 176.726 176.706 0.020 17628 3 1 . 1 1 2 2 PRO CA C 2 63.021 63.021 62.821 0.200 17628 4 1 . 1 1 2 2 PRO CB C 2 32.135 32.135 31.906 0.229 17628 5 1 . 1 1 3 3 VAL N N 3 120.494 120.494 118.646 1.848 17628 6 1 . 1 1 3 3 VAL HA H 3 3.994 3.994 4.165 -0.171 17628 7 1 . 1 1 3 3 VAL C C 3 175.979 175.979 175.472 0.507 17628 8 1 . 1 1 3 3 VAL CA C 3 62.467 62.467 61.187 1.280 17628 9 1 . 1 1 3 3 VAL CB C 3 32.545 32.545 32.308 0.237 17628 10 1 . 1 1 3 3 VAL H H 3 8.140 8.140 7.967 0.173 17628 11 1 . 1 1 4 4 LYS N N 4 126.411 126.411 122.050 4.361 17628 12 1 . 1 1 4 4 LYS HA H 4 4.584 4.584 4.371 0.213 17628 13 1 . 1 1 4 4 LYS C C 4 174.350 174.350 174.875 -0.525 17628 14 1 . 1 1 4 4 LYS CA C 4 54.055 54.055 55.159 -1.104 17628 15 1 . 1 1 4 4 LYS CB C 4 32.579 32.579 31.681 0.898 17628 16 1 . 1 1 4 4 LYS H H 4 8.276 8.276 8.224 0.052 17628 17 1 . 1 1 5 5 PRO HA H 5 4.425 4.425 4.368 0.057 17628 18 1 . 1 1 5 5 PRO C C 5 176.929 176.929 176.154 0.775 17628 19 1 . 1 1 5 5 PRO CA C 5 63.195 63.195 63.759 -0.564 17628 20 1 . 1 1 5 5 PRO CB C 5 32.088 32.088 30.964 1.124 17628 21 1 . 1 1 6 6 SER N N 6 115.564 115.564 115.577 -0.013 17628 22 1 . 1 1 6 6 SER HA H 6 4.379 4.379 4.159 0.220 17628 23 1 . 1 1 6 6 SER C C 6 174.458 174.458 173.965 0.493 17628 24 1 . 1 1 6 6 SER CA C 6 58.418 58.418 58.960 -0.542 17628 25 1 . 1 1 6 6 SER CB C 6 63.981 63.981 63.264 0.717 17628 26 1 . 1 1 6 6 SER H H 6 8.283 8.283 8.355 -0.072 17628 27 1 . 1 1 7 7 ARG N N 7 122.599 122.599 120.453 2.146 17628 28 1 . 1 1 7 7 ARG HA H 7 4.424 4.424 3.991 0.433 17628 29 1 . 1 1 7 7 ARG C C 7 176.216 176.216 175.736 0.480 17628 30 1 . 1 1 7 7 ARG CA C 7 56.083 56.083 57.087 -1.004 17628 31 1 . 1 1 7 7 ARG CB C 7 31.142 31.142 29.283 1.859 17628 32 1 . 1 1 7 7 ARG H H 7 8.321 8.321 7.989 0.332 17628 33 1 . 1 1 8 8 GLY N N 8 110.092 110.092 108.572 1.520 17628 34 1 . 1 1 8 8 GLY C C 8 171.536 171.536 172.191 -0.655 17628 35 1 . 1 1 8 8 GLY CA C 8 44.474 44.474 45.009 -0.535 17628 36 1 . 1 1 8 8 GLY H H 8 8.248 8.248 7.952 0.296 17628 37 1 . 1 1 9 9 PRO HA H 9 4.425 4.425 4.522 -0.097 17628 38 1 . 1 1 9 9 PRO C C 9 176.675 176.675 175.796 0.879 17628 39 1 . 1 1 9 9 PRO CA C 9 63.200 63.200 62.582 0.618 17628 40 1 . 1 1 9 9 PRO CB C 9 32.242 32.242 31.889 0.353 17628 41 1 . 1 1 10 10 LEU N N 10 120.335 120.335 123.597 -3.262 17628 42 1 . 1 1 10 10 LEU HA H 10 4.515 4.515 4.844 -0.329 17628 43 1 . 1 1 10 10 LEU C C 10 176.413 176.413 176.689 -0.276 17628 44 1 . 1 1 10 10 LEU CA C 10 54.400 54.400 54.284 0.116 17628 45 1 . 1 1 10 10 LEU CB C 10 43.946 43.946 42.611 1.334 17628 46 1 . 1 1 10 10 LEU H H 10 8.018 8.018 8.240 -0.222 17628 47 1 . 1 1 11 11 VAL N N 11 120.543 120.543 125.423 -4.880 17628 48 1 . 1 1 11 11 VAL HA H 11 4.455 4.455 4.438 0.017 17628 49 1 . 1 1 11 11 VAL C C 11 174.141 174.141 175.717 -1.576 17628 50 1 . 1 1 11 11 VAL CA C 11 60.268 60.268 61.075 -0.807 17628 51 1 . 1 1 11 11 VAL CB C 11 35.006 35.006 33.948 1.058 17628 52 1 . 1 1 11 11 VAL H H 11 9.111 9.111 8.094 1.017 17628 53 1 . 1 1 12 12 THR N N 12 120.707 120.707 123.967 -3.260 17628 54 1 . 1 1 12 12 THR HA H 12 4.883 4.883 5.051 -0.168 17628 55 1 . 1 1 12 12 THR C C 12 173.103 173.103 173.946 -0.843 17628 56 1 . 1 1 12 12 THR CA C 12 62.760 62.760 63.459 -0.699 17628 57 1 . 1 1 12 12 THR CB C 12 69.037 69.037 69.691 -0.654 17628 58 1 . 1 1 12 12 THR H H 12 8.886 8.886 8.661 0.225 17628 59 1 . 1 1 13 13 CYS N N 13 124.651 124.651 124.099 0.552 17628 60 1 . 1 1 13 13 CYS HA H 13 4.882 4.882 4.897 -0.015 17628 61 1 . 1 1 13 13 CYS C C 13 174.463 174.463 174.241 0.222 17628 62 1 . 1 1 13 13 CYS CA C 13 52.122 52.122 58.325 -6.203 17628 63 1 . 1 1 13 13 CYS CB C 13 42.407 42.407 31.687 10.720 17628 64 1 . 1 1 13 13 CYS H H 13 9.165 9.165 8.676 0.489 17628 65 1 . 1 1 14 14 THR N N 14 121.496 121.496 118.727 2.769 17628 66 1 . 1 1 14 14 THR HA H 14 4.001 4.001 4.186 -0.185 17628 67 1 . 1 1 14 14 THR C C 14 172.453 172.453 174.117 -1.664 17628 68 1 . 1 1 14 14 THR CA C 14 66.024 66.024 64.456 1.568 17628 69 1 . 1 1 14 14 THR CB C 14 69.319 69.319 68.815 0.504 17628 70 1 . 1 1 14 14 THR H H 14 8.931 8.931 8.634 0.297 17628 71 1 . 1 1 15 15 CYS N N 15 129.296 129.296 127.229 2.067 17628 72 1 . 1 1 15 15 CYS HA H 15 5.034 5.034 5.540 -0.506 17628 73 1 . 1 1 15 15 CYS C C 15 174.111 174.111 173.785 0.326 17628 74 1 . 1 1 15 15 CYS CA C 15 57.007 57.007 57.172 -0.165 17628 75 1 . 1 1 15 15 CYS CB C 15 37.153 37.153 30.016 7.137 17628 76 1 . 1 1 15 15 CYS H H 15 8.227 8.227 8.785 -0.558 17628 77 1 . 1 1 16 16 GLU N N 16 127.625 127.625 125.564 2.061 17628 78 1 . 1 1 16 16 GLU HA H 16 4.513 4.513 4.559 -0.046 17628 79 1 . 1 1 16 16 GLU C C 16 173.185 173.185 175.245 -2.060 17628 80 1 . 1 1 16 16 GLU CA C 16 56.082 56.082 55.748 0.334 17628 81 1 . 1 1 16 16 GLU CB C 16 32.050 32.050 30.968 1.082 17628 82 1 . 1 1 16 16 GLU H H 16 9.106 9.106 8.646 0.460 17628 83 1 . 1 1 17 17 SER N N 17 123.384 123.384 117.146 6.238 17628 84 1 . 1 1 17 17 SER HA H 17 4.503 4.503 4.019 0.484 17628 85 1 . 1 1 17 17 SER C C 17 172.946 172.946 171.871 1.075 17628 86 1 . 1 1 17 17 SER CA C 17 57.341 57.341 59.746 -2.405 17628 87 1 . 1 1 17 17 SER CB C 17 63.379 63.379 61.841 1.538 17628 88 1 . 1 1 17 17 SER H H 17 7.770 7.770 8.595 -0.825 17628 89 1 . 1 1 18 18 PRO HA H 18 4.352 4.352 4.457 -0.105 17628 90 1 . 1 1 18 18 PRO C C 18 176.600 176.600 176.753 -0.153 17628 91 1 . 1 1 18 18 PRO CA C 18 64.427 64.427 63.641 0.786 17628 92 1 . 1 1 18 18 PRO CB C 18 32.007 32.007 32.132 -0.125 17628 93 1 . 1 1 19 19 HIS N N 19 113.110 113.110 115.187 -2.077 17628 94 1 . 1 1 19 19 HIS HA H 19 4.678 4.678 4.723 -0.045 17628 95 1 . 1 1 19 19 HIS C C 19 175.396 175.396 174.537 0.859 17628 96 1 . 1 1 19 19 HIS CA C 19 55.029 55.029 55.923 -0.895 17628 97 1 . 1 1 19 19 HIS CB C 19 29.408 29.408 30.032 -0.624 17628 98 1 . 1 1 19 19 HIS H H 19 7.898 7.898 7.819 0.079 17628 99 1 . 1 1 20 20 CYS N N 20 119.283 119.283 117.272 2.011 17628 100 1 . 1 1 20 20 CYS HA H 20 4.364 4.364 4.665 -0.301 17628 101 1 . 1 1 20 20 CYS C C 20 174.956 174.956 174.176 0.780 17628 102 1 . 1 1 20 20 CYS CA C 20 57.764 57.764 57.418 0.346 17628 103 1 . 1 1 20 20 CYS CB C 20 42.002 42.002 30.834 11.168 17628 104 1 . 1 1 20 20 CYS H H 20 7.305 7.305 7.636 -0.331 17628 105 1 . 1 1 21 21 LYS N N 21 124.199 124.199 122.498 1.701 17628 106 1 . 1 1 21 21 LYS HA H 21 4.403 4.403 4.287 0.116 17628 107 1 . 1 1 21 21 LYS C C 21 175.650 175.650 176.622 -0.972 17628 108 1 . 1 1 21 21 LYS CA C 21 56.112 56.112 56.642 -0.530 17628 109 1 . 1 1 21 21 LYS CB C 21 32.166 32.166 31.759 0.407 17628 110 1 . 1 1 21 21 LYS H H 21 8.851 8.851 8.746 0.105 17628 111 1 . 1 1 22 22 GLY N N 22 108.943 108.943 107.229 1.714 17628 112 1 . 1 1 22 22 GLY C C 22 171.467 171.467 172.815 -1.348 17628 113 1 . 1 1 22 22 GLY CA C 22 44.437 44.437 45.236 -0.799 17628 114 1 . 1 1 22 22 GLY H H 22 7.768 7.768 7.792 -0.024 17628 115 1 . 1 1 23 23 PRO HA H 23 4.814 4.814 4.575 0.239 17628 116 1 . 1 1 23 23 PRO C C 23 177.578 177.578 175.815 1.763 17628 117 1 . 1 1 23 23 PRO CA C 23 64.210 64.210 64.229 -0.019 17628 118 1 . 1 1 23 23 PRO CB C 23 32.385 32.385 32.212 0.173 17628 119 1 . 1 1 24 24 THR N N 24 108.931 108.931 108.358 0.573 17628 120 1 . 1 1 24 24 THR HA H 24 5.358 5.358 4.973 0.385 17628 121 1 . 1 1 24 24 THR C C 24 173.043 173.043 173.633 -0.590 17628 122 1 . 1 1 24 24 THR CA C 24 59.041 59.041 60.157 -1.116 17628 123 1 . 1 1 24 24 THR CB C 24 73.255 73.255 71.806 1.449 17628 124 1 . 1 1 24 24 THR H H 24 7.599 7.599 7.912 -0.313 17628 125 1 . 1 1 25 25 CYS N N 25 115.152 115.152 118.700 -3.548 17628 126 1 . 1 1 25 25 CYS HA H 25 4.866 4.866 4.837 0.029 17628 127 1 . 1 1 25 25 CYS C C 25 171.952 171.952 173.218 -1.266 17628 128 1 . 1 1 25 25 CYS CA C 25 53.487 53.487 57.689 -4.202 17628 129 1 . 1 1 25 25 CYS CB C 25 46.385 46.385 30.960 15.425 17628 130 1 . 1 1 25 25 CYS H H 25 8.872 8.872 8.568 0.304 17628 131 1 . 1 1 26 26 ARG N N 26 119.551 119.551 124.177 -4.626 17628 132 1 . 1 1 26 26 ARG HA H 26 5.577 5.577 4.758 0.819 17628 133 1 . 1 1 26 26 ARG C C 26 176.621 176.621 175.720 0.901 17628 134 1 . 1 1 26 26 ARG CA C 26 54.125 54.125 56.053 -1.928 17628 135 1 . 1 1 26 26 ARG CB C 26 32.588 32.588 30.916 1.672 17628 136 1 . 1 1 26 26 ARG H H 26 8.481 8.481 8.623 -0.142 17628 137 1 . 1 1 27 27 GLY N N 27 111.192 111.192 111.516 -0.324 17628 138 1 . 1 1 27 27 GLY C C 27 170.250 170.250 172.837 -2.587 17628 139 1 . 1 1 27 27 GLY CA C 27 45.133 45.133 45.271 -0.138 17628 140 1 . 1 1 27 27 GLY H H 27 8.866 8.866 8.528 0.338 17628 141 1 . 1 1 28 28 ALA N N 28 123.763 123.763 122.272 1.491 17628 142 1 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.855 -0.442 17628 143 1 . 1 1 28 28 ALA C C 28 177.525 177.525 176.066 1.459 17628 144 1 . 1 1 28 28 ALA CA C 28 54.717 54.717 51.799 2.918 17628 145 1 . 1 1 28 28 ALA CB C 28 19.214 19.214 20.717 -1.503 17628 146 1 . 1 1 28 28 ALA H H 28 7.732 7.732 8.342 -0.610 17628 147 1 . 1 1 29 29 TRP N N 29 112.576 112.576 114.044 -1.468 17628 148 1 . 1 1 29 29 TRP HA H 29 4.640 4.640 4.754 -0.114 17628 149 1 . 1 1 29 29 TRP C C 29 172.901 172.901 173.554 -0.653 17628 150 1 . 1 1 29 29 TRP CA C 29 57.762 57.762 53.854 3.908 17628 151 1 . 1 1 29 29 TRP CB C 29 29.606 29.606 29.443 0.163 17628 152 1 . 1 1 29 29 TRP H H 29 7.830 7.830 7.199 0.631 17628 153 1 . 1 1 30 30 CYS N N 30 116.421 116.421 121.331 -4.910 17628 154 1 . 1 1 30 30 CYS HA H 30 5.894 5.894 5.572 0.322 17628 155 1 . 1 1 30 30 CYS C C 30 176.719 176.719 175.199 1.520 17628 156 1 . 1 1 30 30 CYS CA C 30 51.697 51.697 58.559 -6.862 17628 157 1 . 1 1 30 30 CYS CB C 30 38.255 38.255 27.272 10.982 17628 158 1 . 1 1 30 30 CYS H H 30 9.319 9.319 8.842 0.477 17628 159 1 . 1 1 31 31 THR N N 31 110.073 110.073 118.327 -8.254 17628 160 1 . 1 1 31 31 THR HA H 31 5.917 5.917 5.601 0.316 17628 161 1 . 1 1 31 31 THR C C 31 177.249 177.249 174.221 3.028 17628 162 1 . 1 1 31 31 THR CA C 31 59.845 59.845 60.101 -0.256 17628 163 1 . 1 1 31 31 THR CB C 31 72.586 72.586 70.593 1.993 17628 164 1 . 1 1 31 31 THR H H 31 8.936 8.936 9.328 -0.392 17628 165 1 . 1 1 32 32 VAL N N 32 122.685 122.685 121.004 1.681 17628 166 1 . 1 1 32 32 VAL HA H 32 4.762 4.762 5.116 -0.354 17628 167 1 . 1 1 32 32 VAL C C 32 173.813 173.813 174.186 -0.373 17628 168 1 . 1 1 32 32 VAL CA C 32 63.719 63.719 59.421 4.298 17628 169 1 . 1 1 32 32 VAL CB C 32 34.872 34.872 34.715 0.157 17628 170 1 . 1 1 32 32 VAL H H 32 8.841 8.841 9.109 -0.268 17628 171 1 . 1 1 33 33 VAL N N 33 124.915 124.915 119.436 5.479 17628 172 1 . 1 1 33 33 VAL HA H 33 4.787 4.787 4.871 -0.084 17628 173 1 . 1 1 33 33 VAL C C 33 174.014 174.014 174.243 -0.229 17628 174 1 . 1 1 33 33 VAL CA C 33 60.462 60.462 60.628 -0.166 17628 175 1 . 1 1 33 33 VAL CB C 33 35.688 35.688 34.341 1.347 17628 176 1 . 1 1 33 33 VAL H H 33 9.047 9.047 8.582 0.465 17628 177 1 . 1 1 34 34 LEU N N 34 127.771 127.771 128.928 -1.157 17628 178 1 . 1 1 34 34 LEU HA H 34 4.889 4.889 4.938 -0.049 17628 179 1 . 1 1 34 34 LEU C C 34 175.433 175.433 175.980 -0.547 17628 180 1 . 1 1 34 34 LEU CA C 34 54.015 54.015 53.639 0.376 17628 181 1 . 1 1 34 34 LEU CB C 34 44.427 44.427 43.324 1.103 17628 182 1 . 1 1 34 34 LEU H H 34 8.450 8.450 8.244 0.206 17628 183 1 . 1 1 35 35 VAL N N 35 125.904 125.904 128.578 -2.674 17628 184 1 . 1 1 35 35 VAL HA H 35 4.376 4.376 4.130 0.246 17628 185 1 . 1 1 35 35 VAL C C 35 175.098 175.098 175.493 -0.395 17628 186 1 . 1 1 35 35 VAL CA C 35 61.301 61.301 61.799 -0.498 17628 187 1 . 1 1 35 35 VAL CB C 35 34.190 34.190 31.074 3.116 17628 188 1 . 1 1 35 35 VAL H H 35 8.868 8.868 8.771 0.097 17628 189 1 . 1 1 36 36 ARG N N 36 127.282 127.282 128.511 -1.229 17628 190 1 . 1 1 36 36 ARG HA H 36 4.516 4.516 4.292 0.224 17628 191 1 . 1 1 36 36 ARG C C 36 175.068 175.068 175.864 -0.796 17628 192 1 . 1 1 36 36 ARG CA C 36 55.524 55.524 55.476 0.048 17628 193 1 . 1 1 36 36 ARG CB C 36 31.603 31.603 29.957 1.646 17628 194 1 . 1 1 36 36 ARG H H 36 8.665 8.665 8.329 0.336 17628 195 1 . 1 1 37 37 GLU N N 37 124.628 124.628 122.846 1.782 17628 196 1 . 1 1 37 37 GLU HA H 37 4.398 4.398 4.206 0.192 17628 197 1 . 1 1 37 37 GLU C C 37 175.762 175.762 176.048 -0.286 17628 198 1 . 1 1 37 37 GLU CA C 37 55.477 55.477 56.934 -1.457 17628 199 1 . 1 1 37 37 GLU CB C 37 31.724 31.724 29.674 2.050 17628 200 1 . 1 1 37 37 GLU H H 37 8.458 8.458 8.501 -0.043 17628 201 1 . 1 1 38 38 GLU N N 38 123.236 123.236 123.210 0.026 17628 202 1 . 1 1 38 38 GLU HA H 38 4.028 4.028 4.118 -0.090 17628 203 1 . 1 1 38 38 GLU C C 38 177.354 177.354 176.404 0.950 17628 204 1 . 1 1 38 38 GLU CA C 38 57.924 57.924 56.493 1.431 17628 205 1 . 1 1 38 38 GLU CB C 38 29.270 29.270 28.781 0.489 17628 206 1 . 1 1 38 38 GLU H H 38 8.628 8.628 8.463 0.165 17628 207 1 . 1 1 39 39 GLY N N 39 111.764 111.764 112.142 -0.378 17628 208 1 . 1 1 39 39 GLY C C 39 173.954 173.954 174.155 -0.201 17628 209 1 . 1 1 39 39 GLY CA C 39 45.592 45.592 45.511 0.081 17628 210 1 . 1 1 39 39 GLY H H 39 8.670 8.670 8.446 0.224 17628 211 1 . 1 1 40 40 ARG N N 40 118.313 118.313 120.946 -2.633 17628 212 1 . 1 1 40 40 ARG HA H 40 4.589 4.589 4.462 0.127 17628 213 1 . 1 1 40 40 ARG C C 40 175.874 175.874 174.940 0.934 17628 214 1 . 1 1 40 40 ARG CA C 40 54.585 54.585 56.043 -1.458 17628 215 1 . 1 1 40 40 ARG CB C 40 32.502 32.502 31.639 0.863 17628 216 1 . 1 1 40 40 ARG H H 40 7.905 7.905 7.961 -0.056 17628 217 1 . 1 1 41 41 HIS N N 41 120.013 120.013 117.966 2.047 17628 218 1 . 1 1 41 41 HIS HA H 41 4.855 4.855 4.842 0.013 17628 219 1 . 1 1 41 41 HIS C C 41 173.290 173.290 172.914 0.376 17628 220 1 . 1 1 41 41 HIS CA C 41 54.206 54.206 53.922 0.284 17628 221 1 . 1 1 41 41 HIS CB C 41 28.189 28.189 30.834 -2.645 17628 222 1 . 1 1 41 41 HIS H H 41 8.512 8.512 8.109 0.403 17628 223 1 . 1 1 42 42 PRO HA H 42 4.640 4.640 4.731 -0.091 17628 224 1 . 1 1 42 42 PRO C C 42 175.777 175.777 175.900 -0.123 17628 225 1 . 1 1 42 42 PRO CA C 42 63.520 63.520 62.771 0.749 17628 226 1 . 1 1 42 42 PRO CB C 42 32.493 32.493 32.052 0.441 17628 227 1 . 1 1 43 43 GLN N N 43 120.474 120.474 123.788 -3.314 17628 228 1 . 1 1 43 43 GLN HA H 43 4.597 4.597 4.526 0.071 17628 229 1 . 1 1 43 43 GLN C C 43 173.963 173.963 174.626 -0.663 17628 230 1 . 1 1 43 43 GLN CA C 43 54.484 54.484 54.419 0.065 17628 231 1 . 1 1 43 43 GLN CB C 43 32.563 32.563 32.174 0.389 17628 232 1 . 1 1 43 43 GLN H H 43 8.524 8.524 8.295 0.229 17628 233 1 . 1 1 44 44 GLU N N 44 122.323 122.323 125.717 -3.394 17628 234 1 . 1 1 44 44 GLU HA H 44 5.087 5.087 4.354 0.733 17628 235 1 . 1 1 44 44 GLU C C 44 175.650 175.650 175.609 0.041 17628 236 1 . 1 1 44 44 GLU CA C 44 55.435 55.435 56.016 -0.581 17628 237 1 . 1 1 44 44 GLU CB C 44 31.538 31.538 29.458 2.080 17628 238 1 . 1 1 44 44 GLU H H 44 8.751 8.751 8.825 -0.074 17628 239 1 . 1 1 45 45 HIS N N 45 122.818 122.818 125.243 -2.425 17628 240 1 . 1 1 45 45 HIS HA H 45 5.389 5.389 5.122 0.267 17628 241 1 . 1 1 45 45 HIS C C 45 174.918 174.918 174.312 0.606 17628 242 1 . 1 1 45 45 HIS CA C 45 53.158 53.158 54.671 -1.513 17628 243 1 . 1 1 45 45 HIS CB C 45 33.390 33.390 31.376 2.014 17628 244 1 . 1 1 45 45 HIS H H 45 9.202 9.202 8.709 0.493 17628 245 1 . 1 1 46 46 ARG N N 46 122.260 122.260 122.232 0.028 17628 246 1 . 1 1 46 46 ARG HA H 46 5.217 5.217 5.228 -0.011 17628 247 1 . 1 1 46 46 ARG C C 46 176.255 176.255 175.164 1.091 17628 248 1 . 1 1 46 46 ARG CA C 46 54.844 54.844 54.499 0.345 17628 249 1 . 1 1 46 46 ARG CB C 46 32.393 32.393 34.212 -1.819 17628 250 1 . 1 1 46 46 ARG H H 46 8.847 8.847 8.434 0.413 17628 251 1 . 1 1 47 47 GLY N N 47 114.135 114.135 108.025 6.110 17628 252 1 . 1 1 47 47 GLY C C 47 171.175 171.175 172.193 -1.018 17628 253 1 . 1 1 47 47 GLY CA C 47 47.672 47.672 45.836 1.836 17628 254 1 . 1 1 47 47 GLY H H 47 8.210 8.210 8.670 -0.460 17628 255 1 . 1 1 48 48 CYS N N 48 118.698 118.698 120.772 -2.074 17628 256 1 . 1 1 48 48 CYS HA H 48 5.192 5.192 5.678 -0.486 17628 257 1 . 1 1 48 48 CYS C C 48 173.522 173.522 176.020 -2.498 17628 258 1 . 1 1 48 48 CYS CA C 48 58.600 58.600 56.067 2.533 17628 259 1 . 1 1 48 48 CYS CB C 48 44.933 44.933 28.276 16.657 17628 260 1 . 1 1 48 48 CYS H H 48 8.322 8.322 8.287 0.035 17628 261 1 . 1 1 49 49 GLY N N 49 112.213 112.213 111.790 0.423 17628 262 1 . 1 1 49 49 GLY C C 49 170.413 170.413 173.796 -3.383 17628 263 1 . 1 1 49 49 GLY CA C 49 43.104 43.104 45.141 -2.037 17628 264 1 . 1 1 49 49 GLY H H 49 8.679 8.679 8.921 -0.242 17628 265 1 . 1 1 50 50 ASN N N 50 115.420 115.420 118.798 -3.378 17628 266 1 . 1 1 50 50 ASN HA H 50 4.028 4.028 4.294 -0.266 17628 267 1 . 1 1 50 50 ASN C C 50 173.574 173.574 175.326 -1.752 17628 268 1 . 1 1 50 50 ASN CA C 50 54.381 54.381 54.900 -0.519 17628 269 1 . 1 1 50 50 ASN CB C 50 42.721 42.721 37.888 4.833 17628 270 1 . 1 1 50 50 ASN H H 50 8.103 8.103 8.158 -0.055 17628 271 1 . 1 1 51 51 LEU HA H 51 4.655 4.655 4.296 0.359 17628 272 1 . 1 1 51 51 LEU C C 51 176.323 176.323 176.158 0.165 17628 273 1 . 1 1 51 51 LEU CA C 51 54.399 54.399 54.818 -0.419 17628 274 1 . 1 1 51 51 LEU CB C 51 45.606 45.606 41.500 4.106 17628 275 1 . 1 1 52 52 HIS N N 52 115.835 115.835 119.183 -3.348 17628 276 1 . 1 1 52 52 HIS HA H 52 4.987 4.987 4.797 0.190 17628 277 1 . 1 1 52 52 HIS C C 52 176.442 176.442 175.127 1.315 17628 278 1 . 1 1 52 52 HIS CA C 52 55.983 55.983 55.813 0.170 17628 279 1 . 1 1 52 52 HIS CB C 52 26.270 26.270 30.753 -4.483 17628 280 1 . 1 1 52 52 HIS H H 52 8.904 8.904 7.958 0.946 17628 281 1 . 1 1 53 53 ARG N N 53 124.169 124.169 125.585 -1.416 17628 282 1 . 1 1 53 53 ARG HA H 53 3.320 3.320 4.437 -1.117 17628 283 1 . 1 1 53 53 ARG C C 53 177.862 177.862 177.565 0.297 17628 284 1 . 1 1 53 53 ARG CA C 53 57.358 57.358 57.683 -0.326 17628 285 1 . 1 1 53 53 ARG CB C 53 29.654 29.654 30.533 -0.879 17628 286 1 . 1 1 53 53 ARG H H 53 8.876 8.876 8.667 0.209 17628 287 1 . 1 1 54 54 GLU N N 54 118.465 118.465 120.002 -1.537 17628 288 1 . 1 1 54 54 GLU HA H 54 4.033 4.033 4.146 -0.113 17628 289 1 . 1 1 54 54 GLU C C 54 177.704 177.704 177.784 -0.080 17628 290 1 . 1 1 54 54 GLU CA C 54 58.743 58.743 58.871 -0.128 17628 291 1 . 1 1 54 54 GLU CB C 54 26.944 26.944 28.532 -1.588 17628 292 1 . 1 1 54 54 GLU H H 54 9.759 9.759 8.742 1.017 17628 293 1 . 1 1 55 55 LEU N N 55 120.238 120.238 117.503 2.735 17628 294 1 . 1 1 55 55 LEU HA H 55 4.056 4.056 4.253 -0.197 17628 295 1 . 1 1 55 55 LEU C C 55 177.601 177.601 176.299 1.302 17628 296 1 . 1 1 55 55 LEU CA C 55 55.882 55.882 55.227 0.655 17628 297 1 . 1 1 55 55 LEU CB C 55 41.225 41.225 41.381 -0.156 17628 298 1 . 1 1 55 55 LEU H H 55 7.351 7.351 7.800 -0.449 17628 299 1 . 1 1 56 56 CYS N N 56 115.234 115.234 116.139 -0.905 17628 300 1 . 1 1 56 56 CYS HA H 56 4.261 4.261 4.476 -0.215 17628 301 1 . 1 1 56 56 CYS C C 56 175.060 175.060 173.586 1.474 17628 302 1 . 1 1 56 56 CYS CA C 56 55.883 55.883 57.563 -1.680 17628 303 1 . 1 1 56 56 CYS CB C 56 38.516 38.516 27.340 11.176 17628 304 1 . 1 1 56 56 CYS H H 56 7.640 7.640 7.584 0.056 17628 305 1 . 1 1 57 57 ARG N N 57 119.272 119.272 119.434 -0.162 17628 306 1 . 1 1 57 57 ARG HA H 57 4.484 4.484 4.397 0.087 17628 307 1 . 1 1 57 57 ARG C C 57 176.114 176.114 175.091 1.023 17628 308 1 . 1 1 57 57 ARG CA C 57 55.323 55.323 55.686 -0.363 17628 309 1 . 1 1 57 57 ARG CB C 57 31.650 31.650 31.262 0.388 17628 310 1 . 1 1 57 57 ARG H H 57 7.626 7.626 7.515 0.111 17628 311 1 . 1 1 58 58 GLY N N 58 108.813 108.813 109.961 -1.148 17628 312 1 . 1 1 58 58 GLY C C 58 173.663 173.663 173.711 -0.048 17628 313 1 . 1 1 58 58 GLY CA C 58 45.357 45.357 45.237 0.120 17628 314 1 . 1 1 58 58 GLY H H 58 8.139 8.139 8.364 -0.225 17628 315 1 . 1 1 59 59 ARG N N 59 121.042 121.042 121.118 -0.076 17628 316 1 . 1 1 59 59 ARG HA H 59 4.756 4.756 4.768 -0.012 17628 317 1 . 1 1 59 59 ARG C C 59 174.784 174.784 173.885 0.899 17628 318 1 . 1 1 59 59 ARG CA C 59 53.834 53.834 52.980 0.854 17628 319 1 . 1 1 59 59 ARG CB C 59 30.716 30.716 31.409 -0.693 17628 320 1 . 1 1 59 59 ARG H H 59 8.216 8.216 8.269 -0.053 17628 321 1 . 1 1 60 60 PRO HA H 60 4.474 4.474 4.457 0.017 17628 322 1 . 1 1 60 60 PRO C C 60 176.726 176.726 176.036 0.690 17628 323 1 . 1 1 60 60 PRO CA C 60 63.849 63.849 63.137 0.712 17628 324 1 . 1 1 60 60 PRO CB C 60 31.909 31.909 31.014 0.895 17628 325 1 . 1 1 61 61 THR N N 61 110.945 110.945 116.117 -5.172 17628 326 1 . 1 1 61 61 THR HA H 61 4.426 4.426 4.224 0.202 17628 327 1 . 1 1 61 61 THR C C 61 174.238 174.238 174.806 -0.568 17628 328 1 . 1 1 61 61 THR CA C 61 61.219 61.219 61.909 -0.690 17628 329 1 . 1 1 61 61 THR CB C 61 70.449 70.449 69.633 0.816 17628 330 1 . 1 1 61 61 THR H H 61 7.940 7.940 7.921 0.019 17628 331 1 . 1 1 62 62 GLU N N 62 119.936 119.936 120.363 -0.427 17628 332 1 . 1 1 62 62 GLU HA H 62 4.170 4.170 4.172 -0.002 17628 333 1 . 1 1 62 62 GLU C C 62 175.889 175.889 176.412 -0.523 17628 334 1 . 1 1 62 62 GLU CA C 62 57.090 57.090 57.563 -0.473 17628 335 1 . 1 1 62 62 GLU CB C 62 30.109 30.109 29.610 0.499 17628 336 1 . 1 1 62 62 GLU H H 62 8.342 8.342 8.506 -0.164 17628 337 1 . 1 1 63 63 PHE N N 63 117.934 117.934 114.973 2.961 17628 338 1 . 1 1 63 63 PHE HA H 63 4.599 4.599 4.539 0.060 17628 339 1 . 1 1 63 63 PHE C C 63 175.367 175.367 174.156 1.211 17628 340 1 . 1 1 63 63 PHE CA C 63 58.150 58.150 57.501 0.649 17628 341 1 . 1 1 63 63 PHE CB C 63 39.511 39.511 38.778 0.733 17628 342 1 . 1 1 63 63 PHE H H 63 8.137 8.137 7.639 0.498 17628 343 1 . 1 1 64 64 VAL N N 64 120.294 120.294 119.633 0.661 17628 344 1 . 1 1 64 64 VAL HA H 64 4.383 4.383 4.393 -0.010 17628 345 1 . 1 1 64 64 VAL C C 64 174.649 174.649 174.353 0.296 17628 346 1 . 1 1 64 64 VAL CA C 64 62.287 62.287 60.739 1.548 17628 347 1 . 1 1 64 64 VAL CB C 64 33.405 33.405 33.993 -0.588 17628 348 1 . 1 1 64 64 VAL H H 64 7.792 7.792 7.254 0.538 17628 349 1 . 1 1 65 65 ASN N N 65 121.166 121.166 124.741 -3.575 17628 350 1 . 1 1 65 65 ASN HA H 65 4.897 4.897 4.796 0.101 17628 351 1 . 1 1 65 65 ASN C C 65 173.716 173.716 173.800 -0.084 17628 352 1 . 1 1 65 65 ASN CA C 65 52.908 52.908 51.954 0.954 17628 353 1 . 1 1 65 65 ASN CB C 65 40.357 40.357 38.799 1.558 17628 354 1 . 1 1 65 65 ASN H H 65 8.455 8.455 8.364 0.091 17628 355 1 . 1 1 66 66 HIS N N 66 121.303 121.303 122.652 -1.349 17628 356 1 . 1 1 66 66 HIS HA H 66 5.051 5.051 5.434 -0.383 17628 357 1 . 1 1 66 66 HIS C C 66 172.730 172.730 174.255 -1.525 17628 358 1 . 1 1 66 66 HIS CA C 66 55.764 55.764 54.513 1.251 17628 359 1 . 1 1 66 66 HIS CB C 66 31.856 31.856 28.885 2.971 17628 360 1 . 1 1 66 66 HIS H H 66 8.128 8.128 7.908 0.220 17628 361 1 . 1 1 67 67 TYR N N 67 125.626 125.626 126.783 -1.157 17628 362 1 . 1 1 67 67 TYR HA H 67 4.937 4.937 4.746 0.191 17628 363 1 . 1 1 67 67 TYR C C 67 174.178 174.178 173.589 0.589 17628 364 1 . 1 1 67 67 TYR CA C 67 57.181 57.181 57.624 -0.443 17628 365 1 . 1 1 67 67 TYR CB C 67 42.147 42.147 41.250 0.897 17628 366 1 . 1 1 67 67 TYR H H 67 9.065 9.065 8.763 0.302 17628 367 1 . 1 1 68 68 CYS N N 68 123.801 123.801 121.857 1.944 17628 368 1 . 1 1 68 68 CYS HA H 68 5.799 5.799 5.430 0.369 17628 369 1 . 1 1 68 68 CYS C C 68 171.347 171.347 173.575 -2.228 17628 370 1 . 1 1 68 68 CYS CA C 68 51.895 51.895 55.736 -3.841 17628 371 1 . 1 1 68 68 CYS CB C 68 45.198 45.198 28.856 16.342 17628 372 1 . 1 1 68 68 CYS H H 68 7.902 7.902 7.554 0.348 17628 373 1 . 1 1 69 69 CYS N N 69 115.715 115.715 120.842 -5.127 17628 374 1 . 1 1 69 69 CYS HA H 69 4.782 4.782 4.575 0.207 17628 375 1 . 1 1 69 69 CYS C C 69 173.552 173.552 173.728 -0.176 17628 376 1 . 1 1 69 69 CYS CA C 69 54.996 54.996 58.302 -3.306 17628 377 1 . 1 1 69 69 CYS CB C 69 44.900 44.900 30.853 14.047 17628 378 1 . 1 1 69 69 CYS H H 69 8.843 8.843 8.755 0.088 17628 379 1 . 1 1 70 70 ASP N N 70 120.487 120.487 121.507 -1.020 17628 380 1 . 1 1 70 70 ASP HA H 70 5.164 5.164 4.886 0.278 17628 381 1 . 1 1 70 70 ASP C C 70 174.507 174.507 174.826 -0.319 17628 382 1 . 1 1 70 70 ASP CA C 70 54.827 54.827 54.367 0.460 17628 383 1 . 1 1 70 70 ASP CB C 70 42.481 42.481 41.168 1.313 17628 384 1 . 1 1 70 70 ASP H H 70 8.531 8.531 8.720 -0.189 17628 385 1 . 1 1 71 71 SER N N 71 113.179 113.179 114.651 -1.472 17628 386 1 . 1 1 71 71 SER HA H 71 4.896 4.896 4.676 0.220 17628 387 1 . 1 1 71 71 SER C C 71 173.387 173.387 173.186 0.201 17628 388 1 . 1 1 71 71 SER CA C 71 57.709 57.709 57.048 0.661 17628 389 1 . 1 1 71 71 SER CB C 71 66.587 66.587 65.832 0.755 17628 390 1 . 1 1 71 71 SER H H 71 7.641 7.641 7.578 0.063 17628 391 1 . 1 1 72 72 HIS N N 72 119.348 119.348 120.648 -1.300 17628 392 1 . 1 1 72 72 HIS HA H 72 4.538 4.538 4.558 -0.020 17628 393 1 . 1 1 72 72 HIS C C 72 176.173 176.173 175.969 0.204 17628 394 1 . 1 1 72 72 HIS CA C 72 58.734 58.734 56.333 2.401 17628 395 1 . 1 1 72 72 HIS CB C 72 31.776 31.776 29.863 1.913 17628 396 1 . 1 1 72 72 HIS H H 72 8.308 8.308 8.476 -0.168 17628 397 1 . 1 1 73 73 LEU N N 73 123.124 123.124 119.728 3.396 17628 398 1 . 1 1 73 73 LEU HA H 73 3.768 3.768 3.994 -0.226 17628 399 1 . 1 1 73 73 LEU C C 73 178.572 178.572 176.293 2.279 17628 400 1 . 1 1 73 73 LEU CA C 73 56.602 56.602 55.452 1.150 17628 401 1 . 1 1 73 73 LEU CB C 73 40.002 40.002 39.077 0.925 17628 402 1 . 1 1 73 73 LEU H H 73 9.769 9.769 8.936 0.833 17628 403 1 . 1 1 74 74 CYS N N 74 116.789 116.789 118.747 -1.958 17628 404 1 . 1 1 74 74 CYS HA H 74 4.422 4.422 4.493 -0.071 17628 405 1 . 1 1 74 74 CYS C C 74 174.644 174.644 176.318 -1.674 17628 406 1 . 1 1 74 74 CYS CA C 74 58.560 58.560 59.543 -0.983 17628 407 1 . 1 1 74 74 CYS CB C 74 44.268 44.268 28.218 16.050 17628 408 1 . 1 1 74 74 CYS H H 74 8.488 8.488 8.237 0.251 17628 409 1 . 1 1 75 75 ASN N N 75 118.193 118.193 119.349 -1.156 17628 410 1 . 1 1 75 75 ASN HA H 75 4.418 4.418 4.646 -0.228 17628 411 1 . 1 1 75 75 ASN C C 75 175.216 175.216 176.024 -0.808 17628 412 1 . 1 1 75 75 ASN CA C 75 52.578 52.578 54.812 -2.233 17628 413 1 . 1 1 75 75 ASN CB C 75 37.613 37.613 37.767 -0.154 17628 414 1 . 1 1 75 75 ASN H H 75 8.432 8.432 8.116 0.316 17628 415 1 . 1 1 76 76 HIS N N 76 120.329 120.329 119.390 0.939 17628 416 1 . 1 1 76 76 HIS HA H 76 4.167 4.167 4.454 -0.287 17628 417 1 . 1 1 76 76 HIS C C 76 174.631 174.631 174.604 0.027 17628 418 1 . 1 1 76 76 HIS CA C 76 59.328 59.328 58.504 0.824 17628 419 1 . 1 1 76 76 HIS CB C 76 29.708 29.708 29.928 -0.220 17628 420 1 . 1 1 76 76 HIS H H 76 7.768 7.768 8.265 -0.497 17628 421 1 . 1 1 77 77 ASN N N 77 115.167 115.167 115.081 0.086 17628 422 1 . 1 1 77 77 ASN HA H 77 4.558 4.558 4.718 -0.160 17628 423 1 . 1 1 77 77 ASN C C 77 174.522 174.522 174.073 0.449 17628 424 1 . 1 1 77 77 ASN CA C 77 52.864 52.864 52.375 0.489 17628 425 1 . 1 1 77 77 ASN CB C 77 38.719 38.719 38.985 -0.266 17628 426 1 . 1 1 77 77 ASN H H 77 8.457 8.457 7.716 0.741 17628 427 1 . 1 1 78 78 VAL N N 78 119.202 119.202 120.347 -1.145 17628 428 1 . 1 1 78 78 VAL HA H 78 3.843 3.843 4.191 -0.348 17628 429 1 . 1 1 78 78 VAL C C 78 174.709 174.709 174.429 0.280 17628 430 1 . 1 1 78 78 VAL CA C 78 62.643 62.643 61.359 1.284 17628 431 1 . 1 1 78 78 VAL CB C 78 33.309 33.309 34.056 -0.747 17628 432 1 . 1 1 78 78 VAL H H 78 6.691 6.691 7.412 -0.721 17628 433 1 . 1 1 79 79 SER HA H 79 4.846 4.846 4.639 0.207 17628 434 1 . 1 1 79 79 SER C C 79 174.082 174.082 173.770 0.312 17628 435 1 . 1 1 79 79 SER CA C 79 56.222 56.222 57.654 -1.432 17628 436 1 . 1 1 79 79 SER CB C 79 64.855 64.855 63.405 1.450 17628 437 1 . 1 1 80 80 LEU N N 80 126.815 126.815 124.464 2.351 17628 438 1 . 1 1 80 80 LEU HA H 80 4.360 4.360 4.505 -0.145 17628 439 1 . 1 1 80 80 LEU C C 80 176.897 176.897 176.366 0.531 17628 440 1 . 1 1 80 80 LEU CA C 80 54.300 54.300 54.564 -0.264 17628 441 1 . 1 1 80 80 LEU CB C 80 42.671 42.671 42.038 0.633 17628 442 1 . 1 1 80 80 LEU H H 80 9.623 9.623 8.413 1.210 17628 443 1 . 1 1 81 81 VAL N N 81 117.921 117.921 119.842 -1.921 17628 444 1 . 1 1 81 81 VAL HA H 81 3.944 3.944 3.965 -0.021 17628 445 1 . 1 1 81 81 VAL C C 81 175.889 175.889 175.639 0.250 17628 446 1 . 1 1 81 81 VAL CA C 81 62.536 62.536 62.302 0.234 17628 447 1 . 1 1 81 81 VAL CB C 81 32.869 32.869 31.961 0.908 17628 448 1 . 1 1 81 81 VAL H H 81 7.824 7.824 7.763 0.061 17628 449 1 . 1 1 82 82 LEU N N 82 124.533 124.533 123.035 1.498 17628 450 1 . 1 1 82 82 LEU HA H 82 4.291 4.291 4.134 0.157 17628 451 1 . 1 1 82 82 LEU C C 82 177.197 177.197 175.780 1.417 17628 452 1 . 1 1 82 82 LEU CA C 82 55.131 55.131 55.757 -0.626 17628 453 1 . 1 1 82 82 LEU CB C 82 42.291 42.291 40.763 1.528 17628 454 1 . 1 1 82 82 LEU H H 82 8.059 8.059 8.294 -0.235 17628 455 1 . 1 1 83 83 GLU N N 83 120.926 120.926 120.595 0.331 17628 456 1 . 1 1 83 83 GLU HA H 83 4.182 4.182 4.317 -0.135 17628 457 1 . 1 1 83 83 GLU C C 83 175.897 175.897 175.121 0.776 17628 458 1 . 1 1 83 83 GLU CA C 83 56.515 56.515 55.838 0.677 17628 459 1 . 1 1 83 83 GLU CB C 83 30.167 30.167 30.918 -0.751 17628 460 1 . 1 1 83 83 GLU H H 83 8.047 8.047 8.005 0.042 17628 461 1 . 1 1 84 84 ALA N N 84 124.350 124.350 123.191 1.159 17628 462 1 . 1 1 84 84 ALA HA H 84 4.304 4.304 4.369 -0.065 17628 463 1 . 1 1 84 84 ALA C C 84 177.704 177.704 176.732 0.972 17628 464 1 . 1 1 84 84 ALA CA C 84 52.535 52.535 52.350 0.185 17628 465 1 . 1 1 84 84 ALA CB C 84 19.334 19.334 19.188 0.146 17628 466 1 . 1 1 84 84 ALA H H 84 8.162 8.162 8.096 0.066 17628 467 1 . 1 1 85 85 THR N N 85 112.934 112.934 115.119 -2.185 17628 468 1 . 1 1 85 85 THR HA H 85 4.264 4.264 4.226 0.038 17628 469 1 . 1 1 85 85 THR C C 85 174.231 174.231 174.041 0.190 17628 470 1 . 1 1 85 85 THR CA C 85 61.831 61.831 62.531 -0.700 17628 471 1 . 1 1 85 85 THR CB C 85 69.955 69.955 68.316 1.639 17628 472 1 . 1 1 85 85 THR H H 85 7.981 7.981 8.496 -0.515 17628 473 1 . 1 1 86 86 GLN N N 86 123.516 123.516 122.643 0.873 17628 474 1 . 1 1 86 86 GLN HA H 86 4.610 4.610 4.602 0.008 17628 475 1 . 1 1 86 86 GLN C C 86 173.352 173.352 173.698 -0.346 17628 476 1 . 1 1 86 86 GLN CA C 86 53.606 53.606 53.722 -0.116 17628 477 1 . 1 1 86 86 GLN CB C 86 29.094 29.094 29.175 -0.081 17628 478 1 . 1 1 86 86 GLN H H 86 8.217 8.217 7.897 0.320 17628 479 1 . 1 1 88 88 PRO HA H 88 4.413 4.413 4.526 -0.113 17628 480 1 . 1 1 88 88 PRO C C 88 176.930 176.930 176.258 0.672 17628 481 1 . 1 1 88 88 PRO CA C 88 63.105 63.105 62.466 0.639 17628 482 1 . 1 1 88 88 PRO CB C 88 32.160 32.160 32.561 -0.401 17628 483 1 . 1 1 89 89 SER N N 89 116.298 116.298 117.185 -0.887 17628 484 1 . 1 1 89 89 SER HA H 89 4.419 4.419 4.482 -0.063 17628 485 1 . 1 1 89 89 SER C C 89 174.469 174.469 174.107 0.362 17628 486 1 . 1 1 89 89 SER CA C 89 58.378 58.378 58.894 -0.516 17628 487 1 . 1 1 89 89 SER CB C 89 63.995 63.995 63.715 0.280 17628 488 1 . 1 1 89 89 SER H H 89 8.358 8.358 8.488 -0.130 17628 489 1 . 1 1 90 90 GLU N N 90 122.340 122.340 121.020 1.320 17628 490 1 . 1 1 90 90 GLU HA H 90 4.647 4.647 4.118 0.529 17628 491 1 . 1 1 90 90 GLU C C 90 175.971 175.971 175.284 0.687 17628 492 1 . 1 1 90 90 GLU CA C 90 56.350 56.350 57.347 -0.997 17628 493 1 . 1 1 90 90 GLU CB C 90 30.349 30.349 29.783 0.566 17628 494 1 . 1 1 90 90 GLU H H 90 8.338 8.338 8.217 0.121 17628 495 1 . 1 1 91 91 GLN N N 91 122.043 122.043 121.336 0.707 17628 496 1 . 1 1 91 91 GLN HA H 91 4.603 4.603 4.629 -0.025 17628 497 1 . 1 1 91 91 GLN C C 91 173.879 173.879 174.241 -0.362 17628 498 1 . 1 1 91 91 GLN CA C 91 53.624 53.624 53.357 0.267 17628 499 1 . 1 1 91 91 GLN CB C 91 29.090 29.090 29.512 -0.422 17628 500 1 . 1 1 91 91 GLN H H 91 8.317 8.317 8.251 0.066 17628 501 1 . 1 1 92 92 PRO HA H 92 4.417 4.417 4.471 -0.054 17628 502 1 . 1 1 92 92 PRO C C 92 177.488 177.488 176.545 0.943 17628 503 1 . 1 1 92 92 PRO CA C 92 63.383 63.383 62.715 0.668 17628 504 1 . 1 1 92 92 PRO CB C 92 32.153 32.153 31.946 0.207 17628 505 1 . 1 1 93 93 GLY N N 93 109.201 109.201 108.968 0.233 17628 506 1 . 1 1 93 93 GLY C C 93 174.619 174.619 173.544 1.075 17628 507 1 . 1 1 93 93 GLY CA C 93 45.343 45.343 45.033 0.310 17628 508 1 . 1 1 93 93 GLY H H 93 8.480 8.480 8.048 0.432 17628 509 1 . 1 1 94 94 THR N N 94 112.828 112.828 114.908 -2.080 17628 510 1 . 1 1 94 94 THR HA H 94 4.356 4.356 4.326 0.030 17628 511 1 . 1 1 94 94 THR C C 94 174.510 174.510 173.678 0.832 17628 512 1 . 1 1 94 94 THR CA C 94 61.816 61.816 62.191 -0.375 17628 513 1 . 1 1 94 94 THR CB C 94 69.913 69.913 69.649 0.264 17628 514 1 . 1 1 94 94 THR H H 94 8.044 8.044 8.005 0.039 17628 515 1 . 1 1 95 95 ASP N N 95 122.173 122.173 123.314 -1.141 17628 516 1 . 1 1 95 95 ASP HA H 95 4.606 4.606 4.633 -0.027 17628 517 1 . 1 1 95 95 ASP C C 95 176.584 176.584 175.775 0.809 17628 518 1 . 1 1 95 95 ASP CA C 95 54.631 54.631 54.315 0.316 17628 519 1 . 1 1 95 95 ASP CB C 95 41.067 41.067 42.060 -0.993 17628 520 1 . 1 1 95 95 ASP H H 95 8.413 8.413 8.456 -0.043 17628 521 1 . 1 1 96 96 GLY N N 96 109.220 109.220 108.647 0.573 17628 522 1 . 1 1 96 96 GLY C C 96 173.454 173.454 173.234 0.220 17628 523 1 . 1 1 96 96 GLY CA C 96 45.665 45.665 45.114 0.551 17628 524 1 . 1 1 96 96 GLY H H 96 8.290 8.290 8.079 0.211 17628 stop_ save_