data_18443 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18443 _Entry.PDB_ID 2LST 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 18443 _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 SER HA H 2 4.050 4.050 4.465 -0.415 18443 2 1 1 . 1 1 2 2 SER CA C 2 57.351 57.351 58.590 -1.239 18443 3 1 1 . 1 1 2 2 SER CB C 2 63.259 63.259 63.399 -0.140 18443 4 1 1 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.656 -0.354 18443 5 1 1 . 1 1 3 3 LEU C C 3 175.706 175.706 176.936 -1.230 18443 6 1 1 . 1 1 3 3 LEU CA C 3 55.286 55.286 54.991 0.295 18443 7 1 1 . 1 1 3 3 LEU CB C 3 42.920 42.920 43.213 -0.293 18443 8 1 1 . 1 1 4 4 ARG N N 4 127.222 127.222 123.662 3.560 18443 9 1 1 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.308 0.010 18443 10 1 1 . 1 1 4 4 ARG C C 4 173.862 173.862 174.684 -0.822 18443 11 1 1 . 1 1 4 4 ARG CA C 4 54.980 54.980 53.907 1.073 18443 12 1 1 . 1 1 4 4 ARG CB C 4 31.326 31.326 28.761 2.565 18443 13 1 1 . 1 1 4 4 ARG H H 4 8.502 8.502 8.117 0.385 18443 14 1 1 . 1 1 5 5 TRP N N 5 123.052 123.052 125.424 -2.372 18443 15 1 1 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.099 -0.099 18443 16 1 1 . 1 1 5 5 TRP C C 5 176.309 176.309 175.995 0.314 18443 17 1 1 . 1 1 5 5 TRP CA C 5 54.681 54.681 56.020 -1.339 18443 18 1 1 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.556 1.334 18443 19 1 1 . 1 1 5 5 TRP H H 5 8.184 8.184 8.124 0.060 18443 20 1 1 . 1 1 6 6 TYR N N 6 120.957 120.957 124.297 -3.340 18443 21 1 1 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.978 0.001 18443 22 1 1 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.849 1.335 18443 23 1 1 . 1 1 6 6 TYR CB C 6 41.337 41.337 39.450 1.887 18443 24 1 1 . 1 1 6 6 TYR H H 6 8.818 8.818 9.347 -0.529 18443 25 1 1 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.673 0.237 18443 26 1 1 . 1 1 7 7 PRO C C 7 177.869 177.869 177.563 0.306 18443 27 1 1 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.518 0.060 18443 28 1 1 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.684 0.261 18443 29 1 1 . 1 1 8 8 TYR N N 8 122.256 122.256 123.533 -1.277 18443 30 1 1 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.078 -0.035 18443 31 1 1 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.327 -0.252 18443 32 1 1 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.173 0.681 18443 33 1 1 . 1 1 8 8 TYR H H 8 9.408 9.408 9.219 0.189 18443 34 1 1 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.119 -0.077 18443 35 1 1 . 1 1 9 9 PRO C C 9 180.472 180.472 179.053 1.419 18443 36 1 1 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.215 0.172 18443 37 1 1 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.089 -0.563 18443 38 1 1 . 1 1 10 10 GLU N N 10 118.047 118.047 118.162 -0.115 18443 39 1 1 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.061 -0.007 18443 40 1 1 . 1 1 10 10 GLU C C 10 178.293 178.293 178.266 0.027 18443 41 1 1 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.863 0.167 18443 42 1 1 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.032 1.277 18443 43 1 1 . 1 1 10 10 GLU H H 10 7.093 7.093 7.835 -0.742 18443 44 1 1 . 1 1 11 11 ALA N N 11 121.740 121.740 122.634 -0.894 18443 45 1 1 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.027 -0.406 18443 46 1 1 . 1 1 11 11 ALA C C 11 178.890 178.890 179.916 -1.026 18443 47 1 1 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.352 -0.833 18443 48 1 1 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.379 0.666 18443 49 1 1 . 1 1 11 11 ALA H H 11 8.447 8.447 8.646 -0.199 18443 50 1 1 . 1 1 12 12 LEU N N 12 115.622 115.622 118.619 -2.997 18443 51 1 1 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.826 -0.375 18443 52 1 1 . 1 1 12 12 LEU C C 12 179.331 179.331 178.979 0.352 18443 53 1 1 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.858 0.665 18443 54 1 1 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.986 -0.541 18443 55 1 1 . 1 1 12 12 LEU H H 12 7.354 7.354 7.612 -0.258 18443 56 1 1 . 1 1 13 13 ALA N N 13 120.240 120.240 122.782 -2.542 18443 57 1 1 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.173 0.002 18443 58 1 1 . 1 1 13 13 ALA C C 13 181.630 181.630 179.744 1.886 18443 59 1 1 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.179 0.146 18443 60 1 1 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.246 -0.091 18443 61 1 1 . 1 1 13 13 ALA H H 13 7.201 7.201 7.610 -0.409 18443 62 1 1 . 1 1 14 14 LEU N N 14 120.757 120.757 120.729 0.028 18443 63 1 1 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.207 -0.120 18443 64 1 1 . 1 1 14 14 LEU C C 14 179.635 179.635 179.154 0.481 18443 65 1 1 . 1 1 14 14 LEU CA C 14 57.688 57.688 58.216 -0.528 18443 66 1 1 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.753 1.039 18443 67 1 1 . 1 1 14 14 LEU H H 14 8.202 8.202 8.741 -0.539 18443 68 1 1 . 1 1 15 15 ALA N N 15 121.483 121.483 120.014 1.469 18443 69 1 1 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.002 -0.128 18443 70 1 1 . 1 1 15 15 ALA C C 15 180.839 180.839 179.846 0.993 18443 71 1 1 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.379 0.869 18443 72 1 1 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.269 1.367 18443 73 1 1 . 1 1 15 15 ALA H H 15 8.594 8.594 7.851 0.743 18443 74 1 1 . 1 1 16 16 GLN N N 16 117.131 117.131 120.637 -3.506 18443 75 1 1 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.077 -0.108 18443 76 1 1 . 1 1 16 16 GLN C C 16 178.701 178.701 178.329 0.372 18443 77 1 1 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.344 0.809 18443 78 1 1 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.624 0.255 18443 79 1 1 . 1 1 16 16 GLN H H 16 8.609 8.609 8.336 0.273 18443 80 1 1 . 1 1 17 17 ALA N N 17 120.088 120.088 120.564 -0.476 18443 81 1 1 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.248 -0.129 18443 82 1 1 . 1 1 17 17 ALA C C 17 179.305 179.305 178.263 1.042 18443 83 1 1 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.868 0.751 18443 84 1 1 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.934 -0.671 18443 85 1 1 . 1 1 17 17 ALA H H 17 7.635 7.635 8.351 -0.716 18443 86 1 1 . 1 1 18 18 HIS N N 18 111.636 111.636 113.617 -1.981 18443 87 1 1 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.709 0.103 18443 88 1 1 . 1 1 18 18 HIS C C 18 175.021 175.021 175.326 -0.305 18443 89 1 1 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.664 -0.127 18443 90 1 1 . 1 1 18 18 HIS CB C 18 31.211 31.211 30.982 0.229 18443 91 1 1 . 1 1 18 18 HIS H H 18 7.728 7.728 7.682 0.046 18443 92 1 1 . 1 1 19 19 GLY N N 19 111.899 111.899 109.293 2.606 18443 93 1 1 . 1 1 19 19 GLY C C 19 175.071 175.071 174.236 0.835 18443 94 1 1 . 1 1 19 19 GLY CA C 19 47.655 47.655 46.020 1.635 18443 95 1 1 . 1 1 19 19 GLY H H 19 7.886 7.886 8.027 -0.141 18443 96 1 1 . 1 1 20 20 ARG N N 20 118.442 118.442 118.534 -0.092 18443 97 1 1 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.559 0.053 18443 98 1 1 . 1 1 20 20 ARG C C 20 174.586 174.586 175.317 -0.731 18443 99 1 1 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.859 0.653 18443 100 1 1 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.391 1.884 18443 101 1 1 . 1 1 20 20 ARG H H 20 8.239 8.239 8.199 0.040 18443 102 1 1 . 1 1 21 21 MET N N 21 115.457 115.457 117.573 -2.116 18443 103 1 1 . 1 1 21 21 MET HA H 21 4.870 4.870 4.668 0.203 18443 104 1 1 . 1 1 21 21 MET C C 21 175.707 175.707 174.775 0.932 18443 105 1 1 . 1 1 21 21 MET CA C 21 56.111 56.111 54.803 1.308 18443 106 1 1 . 1 1 21 21 MET CB C 21 35.717 35.717 35.873 -0.156 18443 107 1 1 . 1 1 21 21 MET H H 21 7.193 7.193 8.769 -1.576 18443 108 1 1 . 1 1 22 22 VAL N N 22 119.607 119.607 120.332 -0.725 18443 109 1 1 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.864 0.446 18443 110 1 1 . 1 1 22 22 VAL C C 22 176.506 176.506 174.816 1.690 18443 111 1 1 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.162 -0.733 18443 112 1 1 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.994 2.664 18443 113 1 1 . 1 1 22 22 VAL H H 22 9.034 9.034 9.287 -0.253 18443 114 1 1 . 1 1 23 23 MET N N 23 126.309 126.309 129.377 -3.068 18443 115 1 1 . 1 1 23 23 MET HA H 23 4.878 4.878 4.998 -0.120 18443 116 1 1 . 1 1 23 23 MET C C 23 173.960 173.960 174.186 -0.226 18443 117 1 1 . 1 1 23 23 MET CA C 23 54.184 54.184 54.118 0.066 18443 118 1 1 . 1 1 23 23 MET CB C 23 36.920 36.920 34.294 2.626 18443 119 1 1 . 1 1 23 23 MET H H 23 8.704 8.704 9.130 -0.426 18443 120 1 1 . 1 1 24 24 VAL N N 24 128.959 128.959 129.030 -0.071 18443 121 1 1 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.019 0.319 18443 122 1 1 . 1 1 24 24 VAL C C 24 174.245 174.245 173.878 0.367 18443 123 1 1 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.445 -0.692 18443 124 1 1 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.034 0.787 18443 125 1 1 . 1 1 24 24 VAL H H 24 9.908 9.908 9.203 0.705 18443 126 1 1 . 1 1 25 25 TYR N N 25 129.726 129.726 130.455 -0.729 18443 127 1 1 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.066 0.161 18443 128 1 1 . 1 1 25 25 TYR C C 25 173.393 173.393 173.676 -0.283 18443 129 1 1 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.424 -2.341 18443 130 1 1 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.769 -0.251 18443 131 1 1 . 1 1 25 25 TYR H H 25 9.031 9.031 9.065 -0.034 18443 132 1 1 . 1 1 26 26 PHE N N 26 126.719 126.719 127.653 -0.934 18443 133 1 1 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.669 0.426 18443 134 1 1 . 1 1 26 26 PHE C C 26 174.151 174.151 174.700 -0.549 18443 135 1 1 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.393 0.045 18443 136 1 1 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.049 0.575 18443 137 1 1 . 1 1 26 26 PHE H H 26 9.162 9.162 8.873 0.289 18443 138 1 1 . 1 1 27 27 HIS N N 27 118.311 118.311 119.943 -1.632 18443 139 1 1 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.836 0.326 18443 140 1 1 . 1 1 27 27 HIS C C 27 173.044 173.044 173.896 -0.852 18443 141 1 1 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.530 -0.070 18443 142 1 1 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.531 2.557 18443 143 1 1 . 1 1 27 27 HIS H H 27 8.168 8.168 8.762 -0.594 18443 144 1 1 . 1 1 28 28 SER N N 28 112.150 112.150 116.554 -4.404 18443 145 1 1 . 1 1 28 28 SER HA H 28 4.790 4.790 5.192 -0.402 18443 146 1 1 . 1 1 28 28 SER C C 28 176.815 176.815 174.162 2.653 18443 147 1 1 . 1 1 28 28 SER CA C 28 56.260 56.260 57.159 -0.899 18443 148 1 1 . 1 1 28 28 SER CB C 28 65.470 65.470 67.047 -1.577 18443 149 1 1 . 1 1 28 28 SER H H 28 7.545 7.545 8.593 -1.048 18443 150 1 1 . 1 1 29 29 GLU N N 29 130.603 130.603 121.708 8.895 18443 151 1 1 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.411 -0.311 18443 152 1 1 . 1 1 29 29 GLU C C 29 176.980 176.980 177.195 -0.215 18443 153 1 1 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.292 1.378 18443 154 1 1 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.290 0.349 18443 155 1 1 . 1 1 29 29 GLU H H 29 9.681 9.681 8.887 0.794 18443 156 1 1 . 1 1 30 30 HIS N N 30 114.752 114.752 117.323 -2.571 18443 157 1 1 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.485 0.209 18443 158 1 1 . 1 1 30 30 HIS C C 30 173.679 173.679 175.204 -1.525 18443 159 1 1 . 1 1 30 30 HIS CA C 30 54.393 54.393 57.005 -2.611 18443 160 1 1 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.043 -0.671 18443 161 1 1 . 1 1 30 30 HIS H H 30 8.226 8.226 8.198 0.028 18443 162 1 1 . 1 1 31 31 CYS N N 31 124.685 124.685 120.331 4.354 18443 163 1 1 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.899 0.047 18443 164 1 1 . 1 1 31 31 CYS C C 31 175.771 175.771 173.448 2.323 18443 165 1 1 . 1 1 31 31 CYS CA C 31 56.116 56.116 54.574 1.542 18443 166 1 1 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.116 3.300 18443 167 1 1 . 1 1 31 31 CYS H H 31 7.091 7.091 7.857 -0.766 18443 168 1 1 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.520 -0.186 18443 169 1 1 . 1 1 32 32 PRO C C 32 179.352 179.352 175.872 3.480 18443 170 1 1 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.392 0.801 18443 171 1 1 . 1 1 32 32 PRO CB C 32 32.072 32.072 31.093 0.978 18443 172 1 1 . 1 1 33 33 TYR N N 33 125.092 125.092 119.449 5.643 18443 173 1 1 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.410 0.085 18443 174 1 1 . 1 1 33 33 TYR C C 33 179.457 179.457 176.083 3.374 18443 175 1 1 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.525 0.355 18443 176 1 1 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.597 -0.252 18443 177 1 1 . 1 1 33 33 TYR H H 33 8.621 8.621 8.065 0.556 18443 178 1 1 . 1 1 34 34 CYS N N 34 127.272 127.272 118.154 9.118 18443 179 1 1 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.265 0.070 18443 180 1 1 . 1 1 34 34 CYS C C 34 176.672 176.672 176.366 0.306 18443 181 1 1 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.019 4.140 18443 182 1 1 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.884 0.993 18443 183 1 1 . 1 1 34 34 CYS H H 34 9.440 9.440 7.706 1.734 18443 184 1 1 . 1 1 35 35 GLN N N 35 118.373 118.373 120.074 -1.701 18443 185 1 1 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.840 0.219 18443 186 1 1 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.868 0.506 18443 187 1 1 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.375 0.201 18443 188 1 1 . 1 1 35 35 GLN H H 35 7.866 7.866 8.752 -0.886 18443 189 1 1 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.139 0.107 18443 190 1 1 . 1 1 36 36 GLN C C 36 178.881 178.881 178.320 0.561 18443 191 1 1 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.616 1.010 18443 192 1 1 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.297 0.308 18443 193 1 1 . 1 1 37 37 MET N N 37 117.759 117.759 118.863 -1.104 18443 194 1 1 . 1 1 37 37 MET HA H 37 4.488 4.488 4.340 0.148 18443 195 1 1 . 1 1 37 37 MET C C 37 179.838 179.838 178.376 1.462 18443 196 1 1 . 1 1 37 37 MET CA C 37 57.229 57.229 57.010 0.219 18443 197 1 1 . 1 1 37 37 MET CB C 37 29.983 29.983 32.210 -2.227 18443 198 1 1 . 1 1 37 37 MET H H 37 8.125 8.125 7.624 0.501 18443 199 1 1 . 1 1 38 38 ASN N N 38 122.249 122.249 118.464 3.785 18443 200 1 1 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.410 -0.048 18443 201 1 1 . 1 1 38 38 ASN C C 38 177.355 177.355 177.114 0.241 18443 202 1 1 . 1 1 38 38 ASN CA C 38 56.435 56.435 57.185 -0.750 18443 203 1 1 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.709 -1.196 18443 204 1 1 . 1 1 38 38 ASN H H 38 9.245 9.245 8.950 0.295 18443 205 1 1 . 1 1 39 39 THR N N 39 113.554 113.554 115.083 -1.529 18443 206 1 1 . 1 1 39 39 THR HA H 39 3.853 3.853 3.877 -0.024 18443 207 1 1 . 1 1 39 39 THR C C 39 176.277 176.277 175.433 0.844 18443 208 1 1 . 1 1 39 39 THR CA C 39 65.843 65.843 66.124 -0.280 18443 209 1 1 . 1 1 39 39 THR CB C 39 69.595 69.595 68.361 1.234 18443 210 1 1 . 1 1 39 39 THR H H 39 8.034 8.034 7.438 0.596 18443 211 1 1 . 1 1 40 40 PHE N N 40 116.394 116.394 117.581 -1.187 18443 212 1 1 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.534 0.286 18443 213 1 1 . 1 1 40 40 PHE C C 40 176.255 176.255 177.162 -0.907 18443 214 1 1 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.873 -1.158 18443 215 1 1 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.705 2.180 18443 216 1 1 . 1 1 40 40 PHE H H 40 8.309 8.309 7.416 0.893 18443 217 1 1 . 1 1 41 41 VAL N N 41 117.246 117.246 118.718 -1.472 18443 218 1 1 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.682 0.624 18443 219 1 1 . 1 1 41 41 VAL C C 41 176.704 176.704 177.053 -0.349 18443 220 1 1 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.358 -0.519 18443 221 1 1 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.504 2.135 18443 222 1 1 . 1 1 41 41 VAL H H 41 7.678 7.678 7.895 -0.217 18443 223 1 1 . 1 1 42 42 LEU N N 42 117.179 117.179 117.073 0.106 18443 224 1 1 . 1 1 42 42 LEU HA H 42 3.948 3.948 3.955 -0.007 18443 225 1 1 . 1 1 42 42 LEU C C 42 175.837 175.837 177.396 -1.559 18443 226 1 1 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.291 1.005 18443 227 1 1 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.498 -1.383 18443 228 1 1 . 1 1 42 42 LEU H H 42 8.882 8.882 8.007 0.875 18443 229 1 1 . 1 1 43 43 SER N N 43 105.494 105.494 111.044 -5.550 18443 230 1 1 . 1 1 43 43 SER HA H 43 4.408 4.408 4.421 -0.013 18443 231 1 1 . 1 1 43 43 SER C C 43 175.397 175.397 174.107 1.290 18443 232 1 1 . 1 1 43 43 SER CA C 43 57.144 57.144 58.881 -1.737 18443 233 1 1 . 1 1 43 43 SER CB C 43 64.117 64.117 63.488 0.629 18443 234 1 1 . 1 1 43 43 SER H H 43 6.785 6.785 7.328 -0.543 18443 235 1 1 . 1 1 44 44 ASP N N 44 126.617 126.617 124.071 2.546 18443 236 1 1 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.598 0.213 18443 237 1 1 . 1 1 44 44 ASP C C 44 175.644 175.644 175.623 0.021 18443 238 1 1 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.420 -0.747 18443 239 1 1 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.136 1.537 18443 240 1 1 . 1 1 44 44 ASP H H 44 7.443 7.443 7.300 0.143 18443 241 1 1 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.282 0.070 18443 242 1 1 . 1 1 45 45 PRO C C 45 178.792 178.792 178.396 0.396 18443 243 1 1 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.059 0.700 18443 244 1 1 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.869 0.470 18443 245 1 1 . 1 1 46 46 GLY N N 46 107.270 107.270 105.540 1.730 18443 246 1 1 . 1 1 46 46 GLY C C 46 176.799 176.799 176.063 0.736 18443 247 1 1 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.491 0.537 18443 248 1 1 . 1 1 46 46 GLY H H 46 8.161 8.161 7.992 0.169 18443 249 1 1 . 1 1 47 47 VAL N N 47 124.473 124.473 122.705 1.768 18443 250 1 1 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.549 0.046 18443 251 1 1 . 1 1 47 47 VAL C C 47 177.886 177.886 178.057 -0.171 18443 252 1 1 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.320 0.180 18443 253 1 1 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.746 0.679 18443 254 1 1 . 1 1 47 47 VAL H H 47 8.344 8.344 8.219 0.125 18443 255 1 1 . 1 1 48 48 SER N N 48 113.807 113.807 114.840 -1.033 18443 256 1 1 . 1 1 48 48 SER HA H 48 4.053 4.053 4.067 -0.014 18443 257 1 1 . 1 1 48 48 SER C C 48 176.889 176.889 175.951 0.938 18443 258 1 1 . 1 1 48 48 SER CA C 48 62.777 62.777 62.575 0.202 18443 259 1 1 . 1 1 48 48 SER CB C 48 62.884 62.884 62.763 0.121 18443 260 1 1 . 1 1 48 48 SER H H 48 9.023 9.023 8.638 0.385 18443 261 1 1 . 1 1 49 49 ARG N N 49 119.875 119.875 121.931 -2.056 18443 262 1 1 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.111 0.053 18443 263 1 1 . 1 1 49 49 ARG C C 49 179.398 179.398 178.468 0.930 18443 264 1 1 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.185 0.373 18443 265 1 1 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.073 0.173 18443 266 1 1 . 1 1 49 49 ARG H H 49 8.081 8.081 7.750 0.331 18443 267 1 1 . 1 1 50 50 LEU N N 50 121.717 121.717 119.688 2.029 18443 268 1 1 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.087 0.292 18443 269 1 1 . 1 1 50 50 LEU C C 50 179.482 179.482 178.497 0.985 18443 270 1 1 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.490 0.716 18443 271 1 1 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.840 -0.005 18443 272 1 1 . 1 1 50 50 LEU H H 50 7.291 7.291 7.731 -0.440 18443 273 1 1 . 1 1 51 51 LEU N N 51 118.677 118.677 119.110 -0.433 18443 274 1 1 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.073 0.217 18443 275 1 1 . 1 1 51 51 LEU C C 51 179.233 179.233 179.349 -0.116 18443 276 1 1 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.507 0.836 18443 277 1 1 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.309 2.077 18443 278 1 1 . 1 1 51 51 LEU H H 51 8.358 8.358 7.647 0.711 18443 279 1 1 . 1 1 52 52 GLU N N 52 116.437 116.437 118.053 -1.616 18443 280 1 1 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.008 0.160 18443 281 1 1 . 1 1 52 52 GLU C C 52 178.898 178.898 178.660 0.238 18443 282 1 1 . 1 1 52 52 GLU CA C 52 58.993 58.993 58.894 0.099 18443 283 1 1 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.129 1.076 18443 284 1 1 . 1 1 52 52 GLU H H 52 8.715 8.715 8.561 0.154 18443 285 1 1 . 1 1 53 53 ALA N N 53 119.092 119.092 120.419 -1.327 18443 286 1 1 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.132 0.295 18443 287 1 1 . 1 1 53 53 ALA C C 53 180.298 180.298 178.167 2.131 18443 288 1 1 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.832 -0.269 18443 289 1 1 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.237 0.981 18443 290 1 1 . 1 1 53 53 ALA H H 53 7.782 7.782 7.722 0.060 18443 291 1 1 . 1 1 54 54 ARG N N 54 111.562 111.562 112.764 -1.202 18443 292 1 1 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.418 0.237 18443 293 1 1 . 1 1 54 54 ARG C C 54 175.560 175.560 174.747 0.813 18443 294 1 1 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.392 -0.361 18443 295 1 1 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.590 2.747 18443 296 1 1 . 1 1 54 54 ARG H H 54 7.740 7.740 7.706 0.034 18443 297 1 1 . 1 1 55 55 PHE N N 55 117.038 117.038 120.928 -3.890 18443 298 1 1 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.436 0.226 18443 299 1 1 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.005 -0.177 18443 300 1 1 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.371 0.911 18443 301 1 1 . 1 1 55 55 PHE H H 55 8.555 8.555 8.546 0.009 18443 302 1 1 . 1 1 56 56 VAL N N 56 121.038 121.038 122.830 -1.792 18443 303 1 1 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.426 -0.101 18443 304 1 1 . 1 1 56 56 VAL C C 56 175.305 175.305 174.859 0.446 18443 305 1 1 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.177 1.769 18443 306 1 1 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.802 1.703 18443 307 1 1 . 1 1 56 56 VAL H H 56 8.817 8.817 9.451 -0.634 18443 308 1 1 . 1 1 57 57 VAL N N 57 125.781 125.781 128.267 -2.486 18443 309 1 1 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.384 0.592 18443 310 1 1 . 1 1 57 57 VAL C C 57 174.535 174.535 174.404 0.131 18443 311 1 1 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.291 0.099 18443 312 1 1 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.286 0.650 18443 313 1 1 . 1 1 57 57 VAL H H 57 9.498 9.498 8.255 1.243 18443 314 1 1 . 1 1 58 58 ALA N N 58 128.137 128.137 130.784 -2.647 18443 315 1 1 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.486 0.135 18443 316 1 1 . 1 1 58 58 ALA C C 58 175.953 175.953 176.269 -0.316 18443 317 1 1 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.807 -1.043 18443 318 1 1 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.654 1.061 18443 319 1 1 . 1 1 58 58 ALA H H 58 9.062 9.062 9.264 -0.202 18443 320 1 1 . 1 1 59 59 SER N N 59 117.343 117.343 121.411 -4.068 18443 321 1 1 . 1 1 59 59 SER HA H 59 4.693 4.693 5.217 -0.524 18443 322 1 1 . 1 1 59 59 SER C C 59 174.092 174.092 173.915 0.177 18443 323 1 1 . 1 1 59 59 SER CA C 59 56.135 56.135 57.473 -1.338 18443 324 1 1 . 1 1 59 59 SER CB C 59 63.731 63.731 63.848 -0.117 18443 325 1 1 . 1 1 59 59 SER H H 59 8.676 8.676 9.147 -0.471 18443 326 1 1 . 1 1 60 60 VAL N N 60 129.829 129.829 128.274 1.555 18443 327 1 1 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.357 -0.428 18443 328 1 1 . 1 1 60 60 VAL C C 60 172.999 172.999 174.329 -1.330 18443 329 1 1 . 1 1 60 60 VAL CA C 60 61.522 61.522 60.024 1.498 18443 330 1 1 . 1 1 60 60 VAL CB C 60 33.335 33.335 34.171 -0.836 18443 331 1 1 . 1 1 60 60 VAL H H 60 8.716 8.716 8.637 0.079 18443 332 1 1 . 1 1 61 61 SER N N 61 119.457 119.457 122.259 -2.802 18443 333 1 1 . 1 1 61 61 SER HA H 61 4.211 4.211 5.017 -0.806 18443 334 1 1 . 1 1 61 61 SER C C 61 178.511 178.511 176.194 2.317 18443 335 1 1 . 1 1 61 61 SER CA C 61 55.404 55.404 57.555 -2.151 18443 336 1 1 . 1 1 61 61 SER CB C 61 63.080 63.080 63.800 -0.720 18443 337 1 1 . 1 1 61 61 SER H H 61 8.250 8.250 8.397 -0.147 18443 338 1 1 . 1 1 62 62 VAL N N 62 123.331 123.331 126.316 -2.985 18443 339 1 1 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.621 0.420 18443 340 1 1 . 1 1 62 62 VAL C C 62 174.434 174.434 176.560 -2.126 18443 341 1 1 . 1 1 62 62 VAL CA C 62 62.777 62.777 66.001 -3.224 18443 342 1 1 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.901 -2.034 18443 343 1 1 . 1 1 62 62 VAL H H 62 8.954 8.954 8.243 0.711 18443 344 1 1 . 1 1 63 63 ASP N N 63 119.953 119.953 114.921 5.032 18443 345 1 1 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.623 0.096 18443 346 1 1 . 1 1 63 63 ASP C C 63 175.930 175.930 176.293 -0.363 18443 347 1 1 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.304 -0.374 18443 348 1 1 . 1 1 63 63 ASP CB C 63 41.218 41.218 40.864 0.354 18443 349 1 1 . 1 1 63 63 ASP H H 63 7.966 7.966 8.562 -0.596 18443 350 1 1 . 1 1 64 64 THR N N 64 108.822 108.822 112.201 -3.379 18443 351 1 1 . 1 1 64 64 THR HA H 64 4.963 4.963 4.684 0.279 18443 352 1 1 . 1 1 64 64 THR C C 64 173.012 173.012 173.699 -0.687 18443 353 1 1 . 1 1 64 64 THR CA C 64 58.176 58.176 59.382 -1.206 18443 354 1 1 . 1 1 64 64 THR CB C 64 70.326 70.326 69.302 1.024 18443 355 1 1 . 1 1 64 64 THR H H 64 7.315 7.315 7.420 -0.105 18443 356 1 1 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.314 -0.026 18443 357 1 1 . 1 1 65 65 PRO C C 65 180.307 180.307 178.584 1.723 18443 358 1 1 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.033 -0.192 18443 359 1 1 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.637 0.324 18443 360 1 1 . 1 1 66 66 GLU N N 66 118.398 118.398 117.690 0.708 18443 361 1 1 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.110 0.051 18443 362 1 1 . 1 1 66 66 GLU C C 66 179.940 179.940 178.936 1.004 18443 363 1 1 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.837 0.102 18443 364 1 1 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.834 1.037 18443 365 1 1 . 1 1 66 66 GLU H H 66 9.304 9.304 8.874 0.430 18443 366 1 1 . 1 1 67 67 GLY N N 67 110.592 110.592 107.912 2.680 18443 367 1 1 . 1 1 67 67 GLY C C 67 176.529 176.529 176.421 0.108 18443 368 1 1 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.464 0.400 18443 369 1 1 . 1 1 67 67 GLY H H 67 8.172 8.172 8.202 -0.030 18443 370 1 1 . 1 1 68 68 GLN N N 68 121.948 121.948 121.604 0.344 18443 371 1 1 . 1 1 68 68 GLN HA H 68 4.013 4.013 4.028 -0.015 18443 372 1 1 . 1 1 68 68 GLN C C 68 179.366 179.366 178.619 0.747 18443 373 1 1 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.715 0.476 18443 374 1 1 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.764 -0.830 18443 375 1 1 . 1 1 68 68 GLN H H 68 8.504 8.504 8.711 -0.207 18443 376 1 1 . 1 1 69 69 GLU N N 69 120.280 120.280 120.790 -0.510 18443 377 1 1 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.089 0.081 18443 378 1 1 . 1 1 69 69 GLU C C 69 179.360 179.360 178.678 0.682 18443 379 1 1 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.938 0.552 18443 380 1 1 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.007 -0.076 18443 381 1 1 . 1 1 69 69 GLU H H 69 7.815 7.815 8.228 -0.413 18443 382 1 1 . 1 1 70 70 LEU N N 70 121.041 121.041 119.959 1.082 18443 383 1 1 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.066 0.050 18443 384 1 1 . 1 1 70 70 LEU C C 70 178.961 178.961 179.006 -0.045 18443 385 1 1 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.563 0.630 18443 386 1 1 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.598 1.129 18443 387 1 1 . 1 1 70 70 LEU H H 70 7.758 7.758 8.134 -0.376 18443 388 1 1 . 1 1 71 71 ALA N N 71 122.094 122.094 122.021 0.073 18443 389 1 1 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.837 -0.264 18443 390 1 1 . 1 1 71 71 ALA C C 71 179.966 179.966 179.098 0.868 18443 391 1 1 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.090 -0.052 18443 392 1 1 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.021 -0.602 18443 393 1 1 . 1 1 71 71 ALA H H 71 8.745 8.745 8.538 0.207 18443 394 1 1 . 1 1 72 72 ARG N N 72 118.463 118.463 117.976 0.487 18443 395 1 1 . 1 1 72 72 ARG HA H 72 4.121 4.121 3.996 0.125 18443 396 1 1 . 1 1 72 72 ARG C C 72 180.905 180.905 178.332 2.573 18443 397 1 1 . 1 1 72 72 ARG CA C 72 59.524 59.524 59.105 0.419 18443 398 1 1 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.194 0.108 18443 399 1 1 . 1 1 72 72 ARG H H 72 7.862 7.862 7.659 0.203 18443 400 1 1 . 1 1 73 73 ARG N N 73 122.223 122.223 119.087 3.136 18443 401 1 1 . 1 1 73 73 ARG HA H 73 3.958 3.958 3.898 0.060 18443 402 1 1 . 1 1 73 73 ARG C C 73 178.562 178.562 178.844 -0.282 18443 403 1 1 . 1 1 73 73 ARG CA C 73 59.538 59.538 59.005 0.533 18443 404 1 1 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.331 -0.140 18443 405 1 1 . 1 1 73 73 ARG H H 73 8.189 8.189 8.019 0.170 18443 406 1 1 . 1 1 74 74 TYR N N 74 114.319 114.319 115.039 -0.720 18443 407 1 1 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.552 -0.151 18443 408 1 1 . 1 1 74 74 TYR C C 74 174.321 174.321 175.335 -1.014 18443 409 1 1 . 1 1 74 74 TYR CA C 74 59.784 59.784 58.567 1.217 18443 410 1 1 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.273 -0.009 18443 411 1 1 . 1 1 74 74 TYR H H 74 8.047 8.047 8.121 -0.074 18443 412 1 1 . 1 1 75 75 ARG N N 75 119.572 119.572 117.191 2.381 18443 413 1 1 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.109 -0.240 18443 414 1 1 . 1 1 75 75 ARG C C 75 175.880 175.880 174.443 1.437 18443 415 1 1 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.717 0.123 18443 416 1 1 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.576 -1.068 18443 417 1 1 . 1 1 75 75 ARG H H 75 7.865 7.865 7.830 0.035 18443 418 1 1 . 1 1 76 76 VAL N N 76 119.885 119.885 121.980 -2.095 18443 419 1 1 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.205 -0.414 18443 420 1 1 . 1 1 76 76 VAL C C 76 176.374 176.374 174.337 2.037 18443 421 1 1 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.540 2.216 18443 422 1 1 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.632 -1.719 18443 423 1 1 . 1 1 76 76 VAL H H 76 8.024 8.024 7.558 0.466 18443 424 1 1 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.480 -0.083 18443 425 1 1 . 1 1 77 77 PRO C C 77 175.829 175.829 176.061 -0.232 18443 426 1 1 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.638 0.824 18443 427 1 1 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.567 -0.810 18443 428 1 1 . 1 1 78 78 GLY N N 78 105.453 105.453 107.041 -1.588 18443 429 1 1 . 1 1 78 78 GLY C C 78 171.794 171.794 173.236 -1.442 18443 430 1 1 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.917 -0.308 18443 431 1 1 . 1 1 78 78 GLY H H 78 6.725 6.725 8.709 -1.984 18443 432 1 1 . 1 1 79 79 THR N N 79 110.056 110.056 115.021 -4.965 18443 433 1 1 . 1 1 79 79 THR HA H 79 4.886 4.886 4.994 -0.108 18443 434 1 1 . 1 1 79 79 THR CA C 79 57.957 57.957 60.039 -2.082 18443 435 1 1 . 1 1 79 79 THR CB C 79 70.685 70.685 71.656 -0.971 18443 436 1 1 . 1 1 79 79 THR H H 79 8.771 8.771 7.984 0.787 18443 437 1 1 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.477 0.602 18443 438 1 1 . 1 1 80 80 PRO C C 80 176.536 176.536 175.655 0.881 18443 439 1 1 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.804 0.755 18443 440 1 1 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.618 3.053 18443 441 1 1 . 1 1 81 81 THR N N 81 116.755 116.755 120.216 -3.461 18443 442 1 1 . 1 1 81 81 THR HA H 81 5.425 5.425 5.029 0.396 18443 443 1 1 . 1 1 81 81 THR C C 81 171.960 171.960 173.167 -1.207 18443 444 1 1 . 1 1 81 81 THR CA C 81 63.540 63.540 61.726 1.814 18443 445 1 1 . 1 1 81 81 THR CB C 81 71.840 71.840 70.086 1.754 18443 446 1 1 . 1 1 81 81 THR H H 81 8.176 8.176 7.945 0.231 18443 447 1 1 . 1 1 82 82 PHE N N 82 126.263 126.263 127.843 -1.580 18443 448 1 1 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.154 0.482 18443 449 1 1 . 1 1 82 82 PHE C C 82 174.738 174.738 174.731 0.007 18443 450 1 1 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.235 -0.465 18443 451 1 1 . 1 1 82 82 PHE CB C 82 41.280 41.280 39.547 1.733 18443 452 1 1 . 1 1 82 82 PHE H H 82 9.540 9.540 9.331 0.209 18443 453 1 1 . 1 1 83 83 VAL N N 83 123.703 123.703 123.229 0.474 18443 454 1 1 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.474 0.067 18443 455 1 1 . 1 1 83 83 VAL C C 83 174.159 174.159 174.606 -0.447 18443 456 1 1 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.057 0.972 18443 457 1 1 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.638 1.469 18443 458 1 1 . 1 1 83 83 VAL H H 83 9.208 9.208 8.920 0.288 18443 459 1 1 . 1 1 84 84 PHE N N 84 126.003 126.003 126.974 -0.971 18443 460 1 1 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.328 0.482 18443 461 1 1 . 1 1 84 84 PHE C C 84 175.481 175.481 175.002 0.479 18443 462 1 1 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.408 0.845 18443 463 1 1 . 1 1 84 84 PHE CB C 84 41.812 41.812 39.935 1.877 18443 464 1 1 . 1 1 84 84 PHE H H 84 8.878 8.878 8.508 0.370 18443 465 1 1 . 1 1 85 85 LEU N N 85 123.597 123.597 124.395 -0.798 18443 466 1 1 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.633 0.261 18443 467 1 1 . 1 1 85 85 LEU C C 85 176.528 176.528 176.157 0.371 18443 468 1 1 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.573 -0.203 18443 469 1 1 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.804 3.395 18443 470 1 1 . 1 1 85 85 LEU H H 85 9.604 9.604 9.277 0.327 18443 471 1 1 . 1 1 86 86 VAL N N 86 118.274 118.274 123.950 -5.676 18443 472 1 1 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.602 0.616 18443 473 1 1 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.354 -1.793 18443 474 1 1 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.478 2.015 18443 475 1 1 . 1 1 86 86 VAL H H 86 9.457 9.457 9.235 0.222 18443 476 1 1 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.550 -0.602 18443 477 1 1 . 1 1 87 87 PRO C C 87 177.132 177.132 175.677 1.455 18443 478 1 1 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.878 0.485 18443 479 1 1 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.281 -0.623 18443 480 1 1 . 1 1 88 88 LYS N N 88 124.554 124.554 123.187 1.367 18443 481 1 1 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.504 -0.225 18443 482 1 1 . 1 1 88 88 LYS C C 88 175.739 175.739 176.124 -0.385 18443 483 1 1 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.453 0.197 18443 484 1 1 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.174 0.524 18443 485 1 1 . 1 1 88 88 LYS H H 88 8.119 8.119 8.270 -0.151 18443 486 1 1 . 1 1 89 89 ALA N N 89 130.786 130.786 128.023 2.763 18443 487 1 1 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.928 0.042 18443 488 1 1 . 1 1 89 89 ALA C C 89 176.947 176.947 177.382 -0.435 18443 489 1 1 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.746 -0.556 18443 490 1 1 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.639 -0.260 18443 491 1 1 . 1 1 89 89 ALA H H 89 9.128 9.128 8.869 0.259 18443 492 1 1 . 1 1 90 90 GLY N N 90 106.698 106.698 107.074 -0.376 18443 493 1 1 . 1 1 90 90 GLY C C 90 173.352 173.352 172.751 0.601 18443 494 1 1 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.236 0.349 18443 495 1 1 . 1 1 90 90 GLY H H 90 8.393 8.393 8.388 0.005 18443 496 1 1 . 1 1 91 91 ALA N N 91 125.038 125.038 122.336 2.702 18443 497 1 1 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.657 -0.080 18443 498 1 1 . 1 1 91 91 ALA C C 91 175.940 175.940 174.501 1.439 18443 499 1 1 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.836 -0.374 18443 500 1 1 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.938 -0.286 18443 501 1 1 . 1 1 91 91 ALA H H 91 7.788 7.788 7.607 0.181 18443 502 1 1 . 1 1 92 92 TRP N N 92 120.760 120.760 119.814 0.946 18443 503 1 1 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.245 -0.105 18443 504 1 1 . 1 1 92 92 TRP C C 92 175.960 175.960 176.282 -0.322 18443 505 1 1 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.280 0.571 18443 506 1 1 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.399 1.274 18443 507 1 1 . 1 1 92 92 TRP H H 92 8.235 8.235 8.459 -0.224 18443 508 1 1 . 1 1 93 93 GLU N N 93 124.341 124.341 124.159 0.182 18443 509 1 1 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.760 0.101 18443 510 1 1 . 1 1 93 93 GLU C C 93 175.515 175.515 175.270 0.245 18443 511 1 1 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.773 0.007 18443 512 1 1 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.052 0.140 18443 513 1 1 . 1 1 93 93 GLU H H 93 9.264 9.264 8.889 0.375 18443 514 1 1 . 1 1 94 94 GLU N N 94 126.987 126.987 129.283 -2.296 18443 515 1 1 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.866 0.331 18443 516 1 1 . 1 1 94 94 GLU C C 94 177.604 177.604 177.043 0.561 18443 517 1 1 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.287 0.317 18443 518 1 1 . 1 1 94 94 GLU CB C 94 30.078 30.078 30.093 -0.015 18443 519 1 1 . 1 1 94 94 GLU H H 94 9.123 9.123 9.117 0.006 18443 520 1 1 . 1 1 95 95 VAL N N 95 122.004 122.004 122.097 -0.093 18443 521 1 1 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.592 0.100 18443 522 1 1 . 1 1 95 95 VAL C C 95 175.719 175.719 174.740 0.979 18443 523 1 1 . 1 1 95 95 VAL CA C 95 61.335 61.335 60.964 0.371 18443 524 1 1 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.713 0.552 18443 525 1 1 . 1 1 95 95 VAL H H 95 9.099 9.099 8.903 0.196 18443 526 1 1 . 1 1 96 96 GLY N N 96 107.961 107.961 107.528 0.433 18443 527 1 1 . 1 1 96 96 GLY C C 96 171.052 171.052 171.967 -0.915 18443 528 1 1 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.142 0.971 18443 529 1 1 . 1 1 96 96 GLY H H 96 7.754 7.754 7.569 0.185 18443 530 1 1 . 1 1 97 97 ARG N N 97 117.467 117.467 120.288 -2.821 18443 531 1 1 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.566 0.111 18443 532 1 1 . 1 1 97 97 ARG C C 97 174.403 174.403 175.624 -1.221 18443 533 1 1 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.872 0.754 18443 534 1 1 . 1 1 97 97 ARG CB C 97 34.313 34.313 34.123 0.190 18443 535 1 1 . 1 1 97 97 ARG H H 97 8.489 8.489 8.473 0.016 18443 536 1 1 . 1 1 98 98 LEU N N 98 122.922 122.922 124.691 -1.769 18443 537 1 1 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.892 0.033 18443 538 1 1 . 1 1 98 98 LEU C C 98 174.871 174.871 174.814 0.057 18443 539 1 1 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.257 -0.286 18443 540 1 1 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.589 1.953 18443 541 1 1 . 1 1 98 98 LEU H H 98 9.504 9.504 9.014 0.490 18443 542 1 1 . 1 1 99 99 PHE N N 99 124.212 124.212 123.597 0.615 18443 543 1 1 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.718 -0.070 18443 544 1 1 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.749 -0.998 18443 545 1 1 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.907 -1.675 18443 546 1 1 . 1 1 99 99 PHE H H 99 9.146 9.146 8.948 0.198 18443 547 1 1 . 1 1 100 100 GLY N N 100 116.438 116.438 113.203 3.235 18443 548 1 1 . 1 1 100 100 GLY C C 100 173.343 173.343 174.803 -1.460 18443 549 1 1 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.993 -1.557 18443 550 1 1 . 1 1 100 100 GLY H H 100 8.464 8.464 8.087 0.377 18443 551 1 1 . 1 1 101 101 SER N N 101 112.597 112.597 115.514 -2.917 18443 552 1 1 . 1 1 101 101 SER HA H 101 4.616 4.616 4.186 0.430 18443 553 1 1 . 1 1 101 101 SER C C 101 175.075 175.075 174.039 1.036 18443 554 1 1 . 1 1 101 101 SER CA C 101 58.288 58.288 60.735 -2.447 18443 555 1 1 . 1 1 101 101 SER CB C 101 64.305 64.305 63.048 1.257 18443 556 1 1 . 1 1 101 101 SER H H 101 8.366 8.366 8.636 -0.270 18443 557 1 1 . 1 1 102 102 ARG N N 102 119.662 119.662 118.666 0.996 18443 558 1 1 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.178 0.753 18443 559 1 1 . 1 1 102 102 ARG CA C 102 52.820 52.820 56.226 -3.406 18443 560 1 1 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.319 2.123 18443 561 1 1 . 1 1 102 102 ARG H H 102 7.767 7.767 8.290 -0.523 18443 562 1 1 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.540 0.011 18443 563 1 1 . 1 1 103 103 PRO C C 103 177.345 177.345 177.487 -0.142 18443 564 1 1 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.292 -0.216 18443 565 1 1 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.257 0.612 18443 566 1 1 . 1 1 104 104 ARG N N 104 121.205 121.205 121.791 -0.586 18443 567 1 1 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.998 -0.066 18443 568 1 1 . 1 1 104 104 ARG C C 104 177.368 177.368 177.981 -0.613 18443 569 1 1 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.482 1.429 18443 570 1 1 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.273 0.891 18443 571 1 1 . 1 1 104 104 ARG H H 104 8.986 8.986 8.751 0.235 18443 572 1 1 . 1 1 105 105 ALA N N 105 119.508 119.508 122.368 -2.860 18443 573 1 1 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.111 -0.002 18443 574 1 1 . 1 1 105 105 ALA C C 105 181.065 181.065 180.120 0.945 18443 575 1 1 . 1 1 105 105 ALA CA C 105 55.745 55.745 55.068 0.677 18443 576 1 1 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.950 0.346 18443 577 1 1 . 1 1 105 105 ALA H H 105 9.033 9.033 8.587 0.446 18443 578 1 1 . 1 1 106 106 GLU N N 106 117.537 117.537 118.439 -0.902 18443 579 1 1 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.161 -0.032 18443 580 1 1 . 1 1 106 106 GLU C C 106 178.041 178.041 178.991 -0.950 18443 581 1 1 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.235 0.558 18443 582 1 1 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.319 0.915 18443 583 1 1 . 1 1 106 106 GLU H H 106 7.201 7.201 7.835 -0.634 18443 584 1 1 . 1 1 107 107 PHE N N 107 120.721 120.721 121.919 -1.198 18443 585 1 1 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.194 -0.010 18443 586 1 1 . 1 1 107 107 PHE C C 107 177.235 177.235 177.372 -0.137 18443 587 1 1 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.863 -0.120 18443 588 1 1 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.377 0.706 18443 589 1 1 . 1 1 107 107 PHE H H 107 8.555 8.555 8.158 0.397 18443 590 1 1 . 1 1 108 108 LEU N N 108 117.219 117.219 118.855 -1.636 18443 591 1 1 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.831 0.000 18443 592 1 1 . 1 1 108 108 LEU C C 108 178.406 178.406 178.859 -0.453 18443 593 1 1 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.706 0.778 18443 594 1 1 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.492 0.660 18443 595 1 1 . 1 1 108 108 LEU H H 108 8.364 8.364 9.003 -0.639 18443 596 1 1 . 1 1 109 109 LYS N N 109 118.680 118.680 120.200 -1.520 18443 597 1 1 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.835 0.066 18443 598 1 1 . 1 1 109 109 LYS C C 109 179.696 179.696 178.980 0.716 18443 599 1 1 . 1 1 109 109 LYS CA C 109 60.182 60.182 60.161 0.021 18443 600 1 1 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.053 0.213 18443 601 1 1 . 1 1 109 109 LYS H H 109 7.330 7.330 7.751 -0.421 18443 602 1 1 . 1 1 110 110 GLU N N 110 119.802 119.802 119.485 0.317 18443 603 1 1 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.025 -0.064 18443 604 1 1 . 1 1 110 110 GLU C C 110 179.903 179.903 178.479 1.424 18443 605 1 1 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.542 0.582 18443 606 1 1 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.143 -0.371 18443 607 1 1 . 1 1 110 110 GLU H H 110 8.077 8.077 7.683 0.394 18443 608 1 1 . 1 1 111 111 LEU N N 111 120.129 120.129 120.573 -0.444 18443 609 1 1 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.641 -0.109 18443 610 1 1 . 1 1 111 111 LEU C C 111 179.792 179.792 178.903 0.889 18443 611 1 1 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.551 -0.117 18443 612 1 1 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.226 1.502 18443 613 1 1 . 1 1 111 111 LEU H H 111 8.341 8.341 8.206 0.135 18443 614 1 1 . 1 1 112 112 ARG N N 112 118.350 118.350 118.973 -0.623 18443 615 1 1 . 1 1 112 112 ARG HA H 112 3.896 3.896 4.104 -0.208 18443 616 1 1 . 1 1 112 112 ARG C C 112 179.446 179.446 178.389 1.057 18443 617 1 1 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.137 2.186 18443 618 1 1 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.733 0.145 18443 619 1 1 . 1 1 112 112 ARG H H 112 8.166 8.166 8.233 -0.067 18443 620 1 1 . 1 1 113 113 GLN N N 113 118.358 118.358 119.727 -1.369 18443 621 1 1 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.028 0.065 18443 622 1 1 . 1 1 113 113 GLN C C 113 179.137 179.137 178.442 0.695 18443 623 1 1 . 1 1 113 113 GLN CA C 113 58.831 58.831 59.114 -0.283 18443 624 1 1 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.673 -0.203 18443 625 1 1 . 1 1 113 113 GLN H H 113 7.842 7.842 7.846 -0.004 18443 626 1 1 . 1 1 114 114 VAL N N 114 120.174 120.174 119.508 0.666 18443 627 1 1 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.615 0.036 18443 628 1 1 . 1 1 114 114 VAL C C 114 177.853 177.853 177.692 0.161 18443 629 1 1 . 1 1 114 114 VAL CA C 114 66.063 66.063 67.080 -1.017 18443 630 1 1 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.132 0.107 18443 631 1 1 . 1 1 114 114 VAL H H 114 7.947 7.947 8.742 -0.795 18443 632 1 1 . 1 1 115 115 CYS N N 115 117.549 117.549 117.601 -0.052 18443 633 1 1 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.164 -0.084 18443 634 1 1 . 1 1 115 115 CYS C C 115 177.204 177.204 176.326 0.878 18443 635 1 1 . 1 1 115 115 CYS CA C 115 63.574 63.574 62.312 1.262 18443 636 1 1 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.221 0.536 18443 637 1 1 . 1 1 115 115 CYS H H 115 7.801 7.801 7.601 0.200 18443 638 1 1 . 1 1 116 116 VAL N N 116 119.053 119.053 119.145 -0.092 18443 639 1 1 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.782 0.071 18443 640 1 1 . 1 1 116 116 VAL C C 116 178.840 178.840 177.686 1.154 18443 641 1 1 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.714 -0.272 18443 642 1 1 . 1 1 116 116 VAL CB C 116 31.908 31.908 32.000 -0.092 18443 643 1 1 . 1 1 116 116 VAL H H 116 7.465 7.465 7.270 0.195 18443 644 1 1 . 1 1 117 117 LYS N N 117 121.003 121.003 121.058 -0.055 18443 645 1 1 . 1 1 117 117 LYS HA H 117 4.176 4.176 3.935 0.241 18443 646 1 1 . 1 1 117 117 LYS C C 117 178.689 178.689 179.426 -0.737 18443 647 1 1 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.975 -1.420 18443 648 1 1 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.820 0.898 18443 649 1 1 . 1 1 117 117 LYS H H 117 7.915 7.915 8.518 -0.603 18443 650 1 1 . 1 1 118 118 GLY N N 118 106.132 106.132 106.123 0.009 18443 651 1 1 . 1 1 118 118 GLY C C 118 174.909 174.909 175.206 -0.297 18443 652 1 1 . 1 1 118 118 GLY CA C 118 45.964 45.964 47.037 -1.073 18443 653 1 1 . 1 1 118 118 GLY H H 118 8.472 8.472 8.143 0.329 18443 654 1 1 . 1 1 119 119 GLY N N 119 107.977 107.977 106.580 1.397 18443 655 1 1 . 1 1 119 119 GLY C C 119 174.631 174.631 174.652 -0.021 18443 656 1 1 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.642 1.324 18443 657 1 1 . 1 1 119 119 GLY H H 119 7.791 7.791 7.697 0.094 18443 658 1 1 . 1 1 120 120 ALA N N 120 123.981 123.981 122.600 1.381 18443 659 1 1 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.468 -0.055 18443 660 1 1 . 1 1 120 120 ALA C C 120 178.143 178.143 176.506 1.637 18443 661 1 1 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.864 0.952 18443 662 1 1 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.914 -0.812 18443 663 1 1 . 1 1 120 120 ALA H H 120 8.171 8.171 8.026 0.145 18443 664 1 1 . 1 1 121 121 CYS N N 121 117.342 117.342 118.764 -1.422 18443 665 1 1 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.295 0.215 18443 666 1 1 . 1 1 121 121 CYS C C 121 175.318 175.318 175.360 -0.042 18443 667 1 1 . 1 1 121 121 CYS CA C 121 58.974 58.974 61.686 -2.712 18443 668 1 1 . 1 1 121 121 CYS CB C 121 28.109 28.109 28.093 0.016 18443 669 1 1 . 1 1 121 121 CYS H H 121 8.200 8.200 8.094 0.106 18443 670 1 1 . 1 1 122 122 GLY N N 122 110.351 110.351 115.597 -5.246 18443 671 1 1 . 1 1 122 122 GLY C C 122 174.299 174.299 173.497 0.802 18443 672 1 1 . 1 1 122 122 GLY CA C 122 45.525 45.525 44.831 0.694 18443 673 1 1 . 1 1 122 122 GLY H H 122 8.367 8.367 8.583 -0.216 18443 674 1 1 . 1 1 123 123 GLU N N 123 120.589 120.589 120.826 -0.237 18443 675 1 1 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.295 0.012 18443 676 1 1 . 1 1 123 123 GLU C C 123 177.296 177.296 176.280 1.016 18443 677 1 1 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.014 0.816 18443 678 1 1 . 1 1 123 123 GLU CB C 123 30.461 30.461 30.238 0.223 18443 679 1 1 . 1 1 123 123 GLU H H 123 8.280 8.280 7.473 0.807 18443 680 1 1 . 1 1 124 124 GLY N N 124 109.521 109.521 110.999 -1.478 18443 681 1 1 . 1 1 124 124 GLY C C 124 174.189 174.189 174.197 -0.008 18443 682 1 1 . 1 1 124 124 GLY CA C 124 45.540 45.540 44.856 0.684 18443 683 1 1 . 1 1 124 124 GLY H H 124 8.465 8.465 8.399 0.066 18443 684 1 1 . 1 1 125 125 HIS N N 125 118.418 118.418 118.583 -0.165 18443 685 1 1 . 1 1 125 125 HIS CA C 125 55.971 55.971 58.674 -2.703 18443 686 1 1 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.287 -0.214 18443 687 1 1 . 1 1 125 125 HIS H H 125 8.244 8.244 7.866 0.378 18443 688 1 2 . 1 1 2 2 SER HA H 2 4.050 4.050 4.709 -0.659 18443 689 1 2 . 1 1 2 2 SER CA C 2 57.351 57.351 58.432 -1.081 18443 690 1 2 . 1 1 2 2 SER CB C 2 63.259 63.259 64.320 -1.061 18443 691 1 2 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.845 -0.542 18443 692 1 2 . 1 1 3 3 LEU C C 3 175.706 175.706 175.607 0.099 18443 693 1 2 . 1 1 3 3 LEU CA C 3 55.286 55.286 53.816 1.470 18443 694 1 2 . 1 1 3 3 LEU CB C 3 42.920 42.920 45.807 -2.887 18443 695 1 2 . 1 1 4 4 ARG N N 4 127.222 127.222 122.603 4.619 18443 696 1 2 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.372 -0.054 18443 697 1 2 . 1 1 4 4 ARG C C 4 173.862 173.862 174.653 -0.791 18443 698 1 2 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.146 0.834 18443 699 1 2 . 1 1 4 4 ARG CB C 4 31.326 31.326 28.942 2.384 18443 700 1 2 . 1 1 4 4 ARG H H 4 8.502 8.502 8.299 0.203 18443 701 1 2 . 1 1 5 5 TRP N N 5 123.052 123.052 126.114 -3.062 18443 702 1 2 . 1 1 5 5 TRP HA H 5 5.000 5.000 4.981 0.019 18443 703 1 2 . 1 1 5 5 TRP C C 5 176.309 176.309 176.278 0.031 18443 704 1 2 . 1 1 5 5 TRP CA C 5 54.681 54.681 56.064 -1.383 18443 705 1 2 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.855 1.035 18443 706 1 2 . 1 1 5 5 TRP H H 5 8.184 8.184 8.318 -0.134 18443 707 1 2 . 1 1 6 6 TYR N N 6 120.957 120.957 123.845 -2.888 18443 708 1 2 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.006 -0.027 18443 709 1 2 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.809 1.375 18443 710 1 2 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.738 0.599 18443 711 1 2 . 1 1 6 6 TYR H H 6 8.818 8.818 9.350 -0.532 18443 712 1 2 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.621 0.289 18443 713 1 2 . 1 1 7 7 PRO C C 7 177.869 177.869 177.429 0.440 18443 714 1 2 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.809 -0.230 18443 715 1 2 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.628 0.317 18443 716 1 2 . 1 1 8 8 TYR N N 8 122.256 122.256 124.158 -1.902 18443 717 1 2 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.053 -0.010 18443 718 1 2 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.294 -0.219 18443 719 1 2 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.054 0.800 18443 720 1 2 . 1 1 8 8 TYR H H 8 9.408 9.408 9.222 0.186 18443 721 1 2 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.072 -0.030 18443 722 1 2 . 1 1 9 9 PRO C C 9 180.472 180.472 179.062 1.410 18443 723 1 2 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.114 0.272 18443 724 1 2 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.041 -0.515 18443 725 1 2 . 1 1 10 10 GLU N N 10 118.047 118.047 118.362 -0.315 18443 726 1 2 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.067 -0.013 18443 727 1 2 . 1 1 10 10 GLU C C 10 178.293 178.293 178.297 -0.004 18443 728 1 2 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.865 0.165 18443 729 1 2 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.085 1.224 18443 730 1 2 . 1 1 10 10 GLU H H 10 7.093 7.093 7.732 -0.639 18443 731 1 2 . 1 1 11 11 ALA N N 11 121.740 121.740 122.700 -0.960 18443 732 1 2 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.021 -0.400 18443 733 1 2 . 1 1 11 11 ALA C C 11 178.890 178.890 179.849 -0.959 18443 734 1 2 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.415 -0.896 18443 735 1 2 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.381 0.664 18443 736 1 2 . 1 1 11 11 ALA H H 11 8.447 8.447 8.689 -0.242 18443 737 1 2 . 1 1 12 12 LEU N N 12 115.622 115.622 118.721 -3.099 18443 738 1 2 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.840 -0.389 18443 739 1 2 . 1 1 12 12 LEU C C 12 179.331 179.331 179.110 0.221 18443 740 1 2 . 1 1 12 12 LEU CA C 12 58.523 58.523 58.119 0.404 18443 741 1 2 . 1 1 12 12 LEU CB C 12 40.445 40.445 41.103 -0.658 18443 742 1 2 . 1 1 12 12 LEU H H 12 7.354 7.354 7.613 -0.259 18443 743 1 2 . 1 1 13 13 ALA N N 13 120.240 120.240 122.410 -2.170 18443 744 1 2 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.143 0.032 18443 745 1 2 . 1 1 13 13 ALA C C 13 181.630 181.630 179.743 1.887 18443 746 1 2 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.125 0.200 18443 747 1 2 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.268 -0.113 18443 748 1 2 . 1 1 13 13 ALA H H 13 7.201 7.201 7.582 -0.381 18443 749 1 2 . 1 1 14 14 LEU N N 14 120.757 120.757 120.702 0.055 18443 750 1 2 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.030 0.057 18443 751 1 2 . 1 1 14 14 LEU C C 14 179.635 179.635 178.981 0.654 18443 752 1 2 . 1 1 14 14 LEU CA C 14 57.688 57.688 58.209 -0.521 18443 753 1 2 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.649 1.143 18443 754 1 2 . 1 1 14 14 LEU H H 14 8.202 8.202 8.669 -0.467 18443 755 1 2 . 1 1 15 15 ALA N N 15 121.483 121.483 119.761 1.722 18443 756 1 2 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.980 -0.106 18443 757 1 2 . 1 1 15 15 ALA C C 15 180.839 180.839 179.771 1.068 18443 758 1 2 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.330 0.918 18443 759 1 2 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.327 1.309 18443 760 1 2 . 1 1 15 15 ALA H H 15 8.594 8.594 7.840 0.754 18443 761 1 2 . 1 1 16 16 GLN N N 16 117.131 117.131 119.504 -2.373 18443 762 1 2 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.008 -0.039 18443 763 1 2 . 1 1 16 16 GLN C C 16 178.701 178.701 177.635 1.066 18443 764 1 2 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.558 0.595 18443 765 1 2 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.782 0.097 18443 766 1 2 . 1 1 16 16 GLN H H 16 8.609 8.609 8.265 0.344 18443 767 1 2 . 1 1 17 17 ALA N N 17 120.088 120.088 119.606 0.482 18443 768 1 2 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.226 -0.107 18443 769 1 2 . 1 1 17 17 ALA C C 17 179.305 179.305 178.471 0.834 18443 770 1 2 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.686 0.933 18443 771 1 2 . 1 1 17 17 ALA CB C 17 18.263 18.263 19.105 -0.842 18443 772 1 2 . 1 1 17 17 ALA H H 17 7.635 7.635 8.083 -0.448 18443 773 1 2 . 1 1 18 18 HIS N N 18 111.636 111.636 114.427 -2.791 18443 774 1 2 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.678 0.135 18443 775 1 2 . 1 1 18 18 HIS C C 18 175.021 175.021 175.675 -0.654 18443 776 1 2 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.980 -0.443 18443 777 1 2 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.296 -0.084 18443 778 1 2 . 1 1 18 18 HIS H H 18 7.728 7.728 7.690 0.038 18443 779 1 2 . 1 1 19 19 GLY N N 19 111.899 111.899 108.717 3.182 18443 780 1 2 . 1 1 19 19 GLY C C 19 175.071 175.071 174.267 0.804 18443 781 1 2 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.719 1.936 18443 782 1 2 . 1 1 19 19 GLY H H 19 7.886 7.886 8.077 -0.191 18443 783 1 2 . 1 1 20 20 ARG N N 20 118.442 118.442 118.933 -0.491 18443 784 1 2 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.484 0.127 18443 785 1 2 . 1 1 20 20 ARG C C 20 174.586 174.586 174.956 -0.370 18443 786 1 2 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.510 1.002 18443 787 1 2 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.172 2.103 18443 788 1 2 . 1 1 20 20 ARG H H 20 8.239 8.239 8.166 0.073 18443 789 1 2 . 1 1 21 21 MET N N 21 115.457 115.457 119.160 -3.703 18443 790 1 2 . 1 1 21 21 MET HA H 21 4.870 4.870 4.699 0.171 18443 791 1 2 . 1 1 21 21 MET C C 21 175.707 175.707 174.464 1.243 18443 792 1 2 . 1 1 21 21 MET CA C 21 56.111 56.111 54.707 1.404 18443 793 1 2 . 1 1 21 21 MET CB C 21 35.717 35.717 36.399 -0.682 18443 794 1 2 . 1 1 21 21 MET H H 21 7.193 7.193 8.538 -1.345 18443 795 1 2 . 1 1 22 22 VAL N N 22 119.607 119.607 123.223 -3.616 18443 796 1 2 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.773 0.537 18443 797 1 2 . 1 1 22 22 VAL C C 22 176.506 176.506 174.667 1.839 18443 798 1 2 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.177 -0.748 18443 799 1 2 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.274 2.384 18443 800 1 2 . 1 1 22 22 VAL H H 22 9.034 9.034 9.240 -0.206 18443 801 1 2 . 1 1 23 23 MET N N 23 126.309 126.309 129.291 -2.982 18443 802 1 2 . 1 1 23 23 MET HA H 23 4.878 4.878 4.848 0.030 18443 803 1 2 . 1 1 23 23 MET C C 23 173.960 173.960 174.278 -0.318 18443 804 1 2 . 1 1 23 23 MET CA C 23 54.184 54.184 54.317 -0.133 18443 805 1 2 . 1 1 23 23 MET CB C 23 36.920 36.920 34.064 2.856 18443 806 1 2 . 1 1 23 23 MET H H 23 8.704 8.704 9.098 -0.394 18443 807 1 2 . 1 1 24 24 VAL N N 24 128.959 128.959 129.201 -0.242 18443 808 1 2 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.026 0.312 18443 809 1 2 . 1 1 24 24 VAL C C 24 174.245 174.245 173.942 0.303 18443 810 1 2 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.436 -0.683 18443 811 1 2 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.038 0.783 18443 812 1 2 . 1 1 24 24 VAL H H 24 9.908 9.908 9.160 0.748 18443 813 1 2 . 1 1 25 25 TYR N N 25 129.726 129.726 130.259 -0.533 18443 814 1 2 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.203 0.024 18443 815 1 2 . 1 1 25 25 TYR C C 25 173.393 173.393 174.007 -0.614 18443 816 1 2 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.490 -2.407 18443 817 1 2 . 1 1 25 25 TYR CB C 25 39.518 39.518 40.313 -0.795 18443 818 1 2 . 1 1 25 25 TYR H H 25 9.031 9.031 8.559 0.472 18443 819 1 2 . 1 1 26 26 PHE N N 26 126.719 126.719 127.434 -0.715 18443 820 1 2 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.635 0.460 18443 821 1 2 . 1 1 26 26 PHE C C 26 174.151 174.151 174.908 -0.757 18443 822 1 2 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.440 -0.002 18443 823 1 2 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.310 1.314 18443 824 1 2 . 1 1 26 26 PHE H H 26 9.162 9.162 8.950 0.212 18443 825 1 2 . 1 1 27 27 HIS N N 27 118.311 118.311 120.254 -1.943 18443 826 1 2 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.938 0.224 18443 827 1 2 . 1 1 27 27 HIS C C 27 173.044 173.044 173.543 -0.499 18443 828 1 2 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.371 0.089 18443 829 1 2 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.047 2.041 18443 830 1 2 . 1 1 27 27 HIS H H 27 8.168 8.168 8.990 -0.822 18443 831 1 2 . 1 1 28 28 SER N N 28 112.150 112.150 114.565 -2.415 18443 832 1 2 . 1 1 28 28 SER HA H 28 4.790 4.790 5.463 -0.673 18443 833 1 2 . 1 1 28 28 SER C C 28 176.815 176.815 175.398 1.417 18443 834 1 2 . 1 1 28 28 SER CA C 28 56.260 56.260 55.305 0.955 18443 835 1 2 . 1 1 28 28 SER CB C 28 65.470 65.470 65.418 0.052 18443 836 1 2 . 1 1 28 28 SER H H 28 7.545 7.545 8.736 -1.191 18443 837 1 2 . 1 1 29 29 GLU N N 29 130.603 130.603 122.711 7.892 18443 838 1 2 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.375 -0.275 18443 839 1 2 . 1 1 29 29 GLU C C 29 176.980 176.980 176.920 0.060 18443 840 1 2 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.213 1.457 18443 841 1 2 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.553 0.086 18443 842 1 2 . 1 1 29 29 GLU H H 29 9.681 9.681 9.348 0.333 18443 843 1 2 . 1 1 30 30 HIS N N 30 114.752 114.752 118.625 -3.873 18443 844 1 2 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.719 -0.025 18443 845 1 2 . 1 1 30 30 HIS C C 30 173.679 173.679 175.275 -1.596 18443 846 1 2 . 1 1 30 30 HIS CA C 30 54.393 54.393 55.827 -1.433 18443 847 1 2 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.074 -0.702 18443 848 1 2 . 1 1 30 30 HIS H H 30 8.226 8.226 8.212 0.014 18443 849 1 2 . 1 1 31 31 CYS N N 31 124.685 124.685 119.253 5.432 18443 850 1 2 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.612 0.334 18443 851 1 2 . 1 1 31 31 CYS C C 31 175.771 175.771 174.561 1.210 18443 852 1 2 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.381 -0.265 18443 853 1 2 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.212 4.202 18443 854 1 2 . 1 1 31 31 CYS H H 31 7.091 7.091 7.370 -0.279 18443 855 1 2 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.407 -0.073 18443 856 1 2 . 1 1 32 32 PRO C C 32 179.352 179.352 177.599 1.753 18443 857 1 2 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.957 0.236 18443 858 1 2 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.063 0.009 18443 859 1 2 . 1 1 33 33 TYR N N 33 125.092 125.092 119.497 5.595 18443 860 1 2 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.407 0.088 18443 861 1 2 . 1 1 33 33 TYR C C 33 179.457 179.457 177.368 2.089 18443 862 1 2 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.197 0.683 18443 863 1 2 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.386 -0.041 18443 864 1 2 . 1 1 33 33 TYR H H 33 8.621 8.621 8.711 -0.090 18443 865 1 2 . 1 1 34 34 CYS N N 34 127.272 127.272 118.397 8.875 18443 866 1 2 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.172 0.163 18443 867 1 2 . 1 1 34 34 CYS C C 34 176.672 176.672 176.405 0.267 18443 868 1 2 . 1 1 34 34 CYS CA C 34 64.159 64.159 61.422 2.737 18443 869 1 2 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.546 1.331 18443 870 1 2 . 1 1 34 34 CYS H H 34 9.440 9.440 8.509 0.931 18443 871 1 2 . 1 1 35 35 GLN N N 35 118.373 118.373 119.032 -0.659 18443 872 1 2 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.868 0.191 18443 873 1 2 . 1 1 35 35 GLN CA C 35 59.374 59.374 59.239 0.135 18443 874 1 2 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.858 -0.282 18443 875 1 2 . 1 1 35 35 GLN H H 35 7.866 7.866 7.883 -0.017 18443 876 1 2 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.370 -0.124 18443 877 1 2 . 1 1 36 36 GLN C C 36 178.881 178.881 178.594 0.287 18443 878 1 2 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.628 0.998 18443 879 1 2 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.540 0.065 18443 880 1 2 . 1 1 37 37 MET N N 37 117.759 117.759 119.460 -1.701 18443 881 1 2 . 1 1 37 37 MET HA H 37 4.488 4.488 4.082 0.406 18443 882 1 2 . 1 1 37 37 MET C C 37 179.838 179.838 178.310 1.528 18443 883 1 2 . 1 1 37 37 MET CA C 37 57.229 57.229 59.715 -2.486 18443 884 1 2 . 1 1 37 37 MET CB C 37 29.983 29.983 32.674 -2.691 18443 885 1 2 . 1 1 37 37 MET H H 37 8.125 8.125 7.562 0.563 18443 886 1 2 . 1 1 38 38 ASN N N 38 122.249 122.249 117.507 4.742 18443 887 1 2 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.392 -0.030 18443 888 1 2 . 1 1 38 38 ASN C C 38 177.355 177.355 177.166 0.189 18443 889 1 2 . 1 1 38 38 ASN CA C 38 56.435 56.435 57.102 -0.667 18443 890 1 2 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.722 -1.210 18443 891 1 2 . 1 1 38 38 ASN H H 38 9.245 9.245 8.927 0.318 18443 892 1 2 . 1 1 39 39 THR N N 39 113.554 113.554 115.347 -1.793 18443 893 1 2 . 1 1 39 39 THR HA H 39 3.853 3.853 3.904 -0.051 18443 894 1 2 . 1 1 39 39 THR C C 39 176.277 176.277 175.348 0.929 18443 895 1 2 . 1 1 39 39 THR CA C 39 65.843 65.843 66.029 -0.186 18443 896 1 2 . 1 1 39 39 THR CB C 39 69.595 69.595 68.450 1.145 18443 897 1 2 . 1 1 39 39 THR H H 39 8.034 8.034 7.400 0.634 18443 898 1 2 . 1 1 40 40 PHE N N 40 116.394 116.394 118.223 -1.829 18443 899 1 2 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.506 0.314 18443 900 1 2 . 1 1 40 40 PHE C C 40 176.255 176.255 177.078 -0.823 18443 901 1 2 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.083 -1.368 18443 902 1 2 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.038 1.847 18443 903 1 2 . 1 1 40 40 PHE H H 40 8.309 8.309 7.890 0.419 18443 904 1 2 . 1 1 41 41 VAL N N 41 117.246 117.246 119.090 -1.844 18443 905 1 2 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.729 0.577 18443 906 1 2 . 1 1 41 41 VAL C C 41 176.704 176.704 178.495 -1.791 18443 907 1 2 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.907 -1.068 18443 908 1 2 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.660 1.979 18443 909 1 2 . 1 1 41 41 VAL H H 41 7.678 7.678 7.712 -0.034 18443 910 1 2 . 1 1 42 42 LEU N N 42 117.179 117.179 117.354 -0.175 18443 911 1 2 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.147 -0.199 18443 912 1 2 . 1 1 42 42 LEU C C 42 175.837 175.837 176.876 -1.039 18443 913 1 2 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.958 1.339 18443 914 1 2 . 1 1 42 42 LEU CB C 42 41.115 41.115 41.874 -0.759 18443 915 1 2 . 1 1 42 42 LEU H H 42 8.882 8.882 8.653 0.229 18443 916 1 2 . 1 1 43 43 SER N N 43 105.494 105.494 111.978 -6.484 18443 917 1 2 . 1 1 43 43 SER HA H 43 4.408 4.408 4.489 -0.081 18443 918 1 2 . 1 1 43 43 SER C C 43 175.397 175.397 173.901 1.496 18443 919 1 2 . 1 1 43 43 SER CA C 43 57.144 57.144 58.958 -1.814 18443 920 1 2 . 1 1 43 43 SER CB C 43 64.117 64.117 63.910 0.207 18443 921 1 2 . 1 1 43 43 SER H H 43 6.785 6.785 7.336 -0.551 18443 922 1 2 . 1 1 44 44 ASP N N 44 126.617 126.617 123.775 2.842 18443 923 1 2 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.592 0.219 18443 924 1 2 . 1 1 44 44 ASP C C 44 175.644 175.644 176.079 -0.435 18443 925 1 2 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.223 -0.550 18443 926 1 2 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.027 1.646 18443 927 1 2 . 1 1 44 44 ASP H H 44 7.443 7.443 7.376 0.067 18443 928 1 2 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.294 0.058 18443 929 1 2 . 1 1 45 45 PRO C C 45 178.792 178.792 178.211 0.581 18443 930 1 2 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.100 0.659 18443 931 1 2 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.070 0.269 18443 932 1 2 . 1 1 46 46 GLY N N 46 107.270 107.270 105.861 1.409 18443 933 1 2 . 1 1 46 46 GLY C C 46 176.799 176.799 176.333 0.466 18443 934 1 2 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.855 0.173 18443 935 1 2 . 1 1 46 46 GLY H H 46 8.161 8.161 8.439 -0.278 18443 936 1 2 . 1 1 47 47 VAL N N 47 124.473 124.473 122.406 2.067 18443 937 1 2 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.675 -0.080 18443 938 1 2 . 1 1 47 47 VAL C C 47 177.886 177.886 178.062 -0.176 18443 939 1 2 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.914 0.586 18443 940 1 2 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.552 0.873 18443 941 1 2 . 1 1 47 47 VAL H H 47 8.344 8.344 8.397 -0.053 18443 942 1 2 . 1 1 48 48 SER N N 48 113.807 113.807 116.529 -2.722 18443 943 1 2 . 1 1 48 48 SER HA H 48 4.053 4.053 4.084 -0.031 18443 944 1 2 . 1 1 48 48 SER C C 48 176.889 176.889 176.601 0.288 18443 945 1 2 . 1 1 48 48 SER CA C 48 62.777 62.777 62.554 0.223 18443 946 1 2 . 1 1 48 48 SER CB C 48 62.884 62.884 62.836 0.048 18443 947 1 2 . 1 1 48 48 SER H H 48 9.023 9.023 8.572 0.451 18443 948 1 2 . 1 1 49 49 ARG N N 49 119.875 119.875 120.535 -0.660 18443 949 1 2 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.070 0.094 18443 950 1 2 . 1 1 49 49 ARG C C 49 179.398 179.398 178.612 0.786 18443 951 1 2 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.090 0.467 18443 952 1 2 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.118 0.129 18443 953 1 2 . 1 1 49 49 ARG H H 49 8.081 8.081 7.975 0.106 18443 954 1 2 . 1 1 50 50 LEU N N 50 121.717 121.717 120.302 1.415 18443 955 1 2 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.085 0.294 18443 956 1 2 . 1 1 50 50 LEU C C 50 179.482 179.482 178.804 0.678 18443 957 1 2 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.559 0.646 18443 958 1 2 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.889 -0.054 18443 959 1 2 . 1 1 50 50 LEU H H 50 7.291 7.291 7.637 -0.346 18443 960 1 2 . 1 1 51 51 LEU N N 51 118.677 118.677 118.486 0.191 18443 961 1 2 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.025 0.265 18443 962 1 2 . 1 1 51 51 LEU C C 51 179.233 179.233 179.418 -0.185 18443 963 1 2 . 1 1 51 51 LEU CA C 51 58.343 58.343 56.841 1.502 18443 964 1 2 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.195 2.191 18443 965 1 2 . 1 1 51 51 LEU H H 51 8.358 8.358 7.604 0.754 18443 966 1 2 . 1 1 52 52 GLU N N 52 116.437 116.437 117.826 -1.389 18443 967 1 2 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.007 0.161 18443 968 1 2 . 1 1 52 52 GLU C C 52 178.898 178.898 178.305 0.593 18443 969 1 2 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.294 -0.301 18443 970 1 2 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.316 0.889 18443 971 1 2 . 1 1 52 52 GLU H H 52 8.715 8.715 8.786 -0.071 18443 972 1 2 . 1 1 53 53 ALA N N 53 119.092 119.092 119.440 -0.348 18443 973 1 2 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.355 0.072 18443 974 1 2 . 1 1 53 53 ALA C C 53 180.298 180.298 178.179 2.119 18443 975 1 2 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.568 -0.005 18443 976 1 2 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.791 0.427 18443 977 1 2 . 1 1 53 53 ALA H H 53 7.782 7.782 7.751 0.031 18443 978 1 2 . 1 1 54 54 ARG N N 54 111.562 111.562 113.133 -1.571 18443 979 1 2 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.544 0.111 18443 980 1 2 . 1 1 54 54 ARG C C 54 175.560 175.560 174.259 1.301 18443 981 1 2 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.014 0.017 18443 982 1 2 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.635 2.702 18443 983 1 2 . 1 1 54 54 ARG H H 54 7.740 7.740 7.847 -0.107 18443 984 1 2 . 1 1 55 55 PHE N N 55 117.038 117.038 120.712 -3.674 18443 985 1 2 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.584 0.078 18443 986 1 2 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.021 -0.193 18443 987 1 2 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.355 -0.073 18443 988 1 2 . 1 1 55 55 PHE H H 55 8.555 8.555 8.591 -0.036 18443 989 1 2 . 1 1 56 56 VAL N N 56 121.038 121.038 122.580 -1.542 18443 990 1 2 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.426 -0.101 18443 991 1 2 . 1 1 56 56 VAL C C 56 175.305 175.305 174.826 0.479 18443 992 1 2 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.526 1.420 18443 993 1 2 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.873 0.632 18443 994 1 2 . 1 1 56 56 VAL H H 56 8.817 8.817 9.408 -0.591 18443 995 1 2 . 1 1 57 57 VAL N N 57 125.781 125.781 128.240 -2.459 18443 996 1 2 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.377 0.599 18443 997 1 2 . 1 1 57 57 VAL C C 57 174.535 174.535 174.482 0.053 18443 998 1 2 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.002 0.388 18443 999 1 2 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.227 0.709 18443 1000 1 2 . 1 1 57 57 VAL H H 57 9.498 9.498 8.148 1.350 18443 1001 1 2 . 1 1 58 58 ALA N N 58 128.137 128.137 131.181 -3.044 18443 1002 1 2 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.547 0.074 18443 1003 1 2 . 1 1 58 58 ALA C C 58 175.953 175.953 177.102 -1.149 18443 1004 1 2 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.607 -0.843 18443 1005 1 2 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.721 0.994 18443 1006 1 2 . 1 1 58 58 ALA H H 58 9.062 9.062 9.162 -0.100 18443 1007 1 2 . 1 1 59 59 SER N N 59 117.343 117.343 121.448 -4.105 18443 1008 1 2 . 1 1 59 59 SER HA H 59 4.693 4.693 4.960 -0.267 18443 1009 1 2 . 1 1 59 59 SER C C 59 174.092 174.092 174.190 -0.098 18443 1010 1 2 . 1 1 59 59 SER CA C 59 56.135 56.135 57.808 -1.673 18443 1011 1 2 . 1 1 59 59 SER CB C 59 63.731 63.731 63.132 0.599 18443 1012 1 2 . 1 1 59 59 SER H H 59 8.676 8.676 9.089 -0.413 18443 1013 1 2 . 1 1 60 60 VAL N N 60 129.829 129.829 126.914 2.915 18443 1014 1 2 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.226 -0.297 18443 1015 1 2 . 1 1 60 60 VAL C C 60 172.999 172.999 174.347 -1.348 18443 1016 1 2 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.160 0.361 18443 1017 1 2 . 1 1 60 60 VAL CB C 60 33.335 33.335 32.466 0.869 18443 1018 1 2 . 1 1 60 60 VAL H H 60 8.716 8.716 8.286 0.430 18443 1019 1 2 . 1 1 61 61 SER N N 61 119.457 119.457 123.456 -3.999 18443 1020 1 2 . 1 1 61 61 SER HA H 61 4.211 4.211 4.631 -0.420 18443 1021 1 2 . 1 1 61 61 SER C C 61 178.511 178.511 176.204 2.307 18443 1022 1 2 . 1 1 61 61 SER CA C 61 55.404 55.404 56.917 -1.513 18443 1023 1 2 . 1 1 61 61 SER CB C 61 63.080 63.080 63.560 -0.480 18443 1024 1 2 . 1 1 61 61 SER H H 61 8.250 8.250 8.412 -0.162 18443 1025 1 2 . 1 1 62 62 VAL N N 62 123.331 123.331 126.251 -2.920 18443 1026 1 2 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.600 0.441 18443 1027 1 2 . 1 1 62 62 VAL C C 62 174.434 174.434 176.177 -1.743 18443 1028 1 2 . 1 1 62 62 VAL CA C 62 62.777 62.777 65.526 -2.749 18443 1029 1 2 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.515 -1.648 18443 1030 1 2 . 1 1 62 62 VAL H H 62 8.954 8.954 8.592 0.362 18443 1031 1 2 . 1 1 63 63 ASP N N 63 119.953 119.953 117.160 2.793 18443 1032 1 2 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.610 0.109 18443 1033 1 2 . 1 1 63 63 ASP C C 63 175.930 175.930 176.599 -0.669 18443 1034 1 2 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.654 -0.724 18443 1035 1 2 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.170 0.048 18443 1036 1 2 . 1 1 63 63 ASP H H 63 7.966 7.966 8.292 -0.326 18443 1037 1 2 . 1 1 64 64 THR N N 64 108.822 108.822 111.623 -2.801 18443 1038 1 2 . 1 1 64 64 THR HA H 64 4.963 4.963 4.746 0.217 18443 1039 1 2 . 1 1 64 64 THR C C 64 173.012 173.012 173.659 -0.647 18443 1040 1 2 . 1 1 64 64 THR CA C 64 58.176 58.176 58.782 -0.606 18443 1041 1 2 . 1 1 64 64 THR CB C 64 70.326 70.326 69.521 0.805 18443 1042 1 2 . 1 1 64 64 THR H H 64 7.315 7.315 7.466 -0.151 18443 1043 1 2 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.083 0.205 18443 1044 1 2 . 1 1 65 65 PRO C C 65 180.307 180.307 178.358 1.949 18443 1045 1 2 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.145 -0.304 18443 1046 1 2 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.520 0.442 18443 1047 1 2 . 1 1 66 66 GLU N N 66 118.398 118.398 117.863 0.535 18443 1048 1 2 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.121 0.040 18443 1049 1 2 . 1 1 66 66 GLU C C 66 179.940 179.940 178.858 1.082 18443 1050 1 2 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.614 0.325 18443 1051 1 2 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.730 1.141 18443 1052 1 2 . 1 1 66 66 GLU H H 66 9.304 9.304 8.919 0.385 18443 1053 1 2 . 1 1 67 67 GLY N N 67 110.592 110.592 108.644 1.948 18443 1054 1 2 . 1 1 67 67 GLY C C 67 176.529 176.529 176.433 0.096 18443 1055 1 2 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.283 0.581 18443 1056 1 2 . 1 1 67 67 GLY H H 67 8.172 8.172 7.688 0.484 18443 1057 1 2 . 1 1 68 68 GLN N N 68 121.948 121.948 121.631 0.317 18443 1058 1 2 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.949 0.064 18443 1059 1 2 . 1 1 68 68 GLN C C 68 179.366 179.366 178.457 0.909 18443 1060 1 2 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.920 0.271 18443 1061 1 2 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.690 -0.756 18443 1062 1 2 . 1 1 68 68 GLN H H 68 8.504 8.504 8.680 -0.176 18443 1063 1 2 . 1 1 69 69 GLU N N 69 120.280 120.280 120.928 -0.648 18443 1064 1 2 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.084 0.086 18443 1065 1 2 . 1 1 69 69 GLU C C 69 179.360 179.360 178.734 0.626 18443 1066 1 2 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.095 0.395 18443 1067 1 2 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.102 -0.171 18443 1068 1 2 . 1 1 69 69 GLU H H 69 7.815 7.815 8.356 -0.541 18443 1069 1 2 . 1 1 70 70 LEU N N 70 121.041 121.041 120.385 0.656 18443 1070 1 2 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.208 -0.092 18443 1071 1 2 . 1 1 70 70 LEU C C 70 178.961 178.961 179.229 -0.268 18443 1072 1 2 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.192 0.001 18443 1073 1 2 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.490 1.237 18443 1074 1 2 . 1 1 70 70 LEU H H 70 7.758 7.758 7.745 0.013 18443 1075 1 2 . 1 1 71 71 ALA N N 71 122.094 122.094 122.051 0.043 18443 1076 1 2 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.997 -0.424 18443 1077 1 2 . 1 1 71 71 ALA C C 71 179.966 179.966 179.510 0.456 18443 1078 1 2 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.501 -0.463 18443 1079 1 2 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.233 -0.814 18443 1080 1 2 . 1 1 71 71 ALA H H 71 8.745 8.745 8.691 0.054 18443 1081 1 2 . 1 1 72 72 ARG N N 72 118.463 118.463 117.554 0.909 18443 1082 1 2 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.076 0.045 18443 1083 1 2 . 1 1 72 72 ARG C C 72 180.905 180.905 178.592 2.313 18443 1084 1 2 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.564 0.960 18443 1085 1 2 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.909 0.393 18443 1086 1 2 . 1 1 72 72 ARG H H 72 7.862 7.862 8.036 -0.174 18443 1087 1 2 . 1 1 73 73 ARG N N 73 122.223 122.223 121.439 0.784 18443 1088 1 2 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.015 -0.057 18443 1089 1 2 . 1 1 73 73 ARG C C 73 178.562 178.562 178.016 0.546 18443 1090 1 2 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.859 0.679 18443 1091 1 2 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.192 -0.001 18443 1092 1 2 . 1 1 73 73 ARG H H 73 8.189 8.189 8.231 -0.042 18443 1093 1 2 . 1 1 74 74 TYR N N 74 114.319 114.319 116.402 -2.083 18443 1094 1 2 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.489 -0.088 18443 1095 1 2 . 1 1 74 74 TYR C C 74 174.321 174.321 174.773 -0.452 18443 1096 1 2 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.132 0.652 18443 1097 1 2 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.054 0.210 18443 1098 1 2 . 1 1 74 74 TYR H H 74 8.047 8.047 8.444 -0.397 18443 1099 1 2 . 1 1 75 75 ARG N N 75 119.572 119.572 116.382 3.190 18443 1100 1 2 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.063 -0.194 18443 1101 1 2 . 1 1 75 75 ARG C C 75 175.880 175.880 174.310 1.570 18443 1102 1 2 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.670 0.170 18443 1103 1 2 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.329 -0.821 18443 1104 1 2 . 1 1 75 75 ARG H H 75 7.865 7.865 7.635 0.230 18443 1105 1 2 . 1 1 76 76 VAL N N 76 119.885 119.885 121.296 -1.411 18443 1106 1 2 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.171 -0.380 18443 1107 1 2 . 1 1 76 76 VAL C C 76 176.374 176.374 174.041 2.333 18443 1108 1 2 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.285 2.470 18443 1109 1 2 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.961 -1.048 18443 1110 1 2 . 1 1 76 76 VAL H H 76 8.024 8.024 8.204 -0.180 18443 1111 1 2 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.303 0.094 18443 1112 1 2 . 1 1 77 77 PRO C C 77 175.829 175.829 176.600 -0.771 18443 1113 1 2 . 1 1 77 77 PRO CA C 77 63.462 63.462 63.917 -0.455 18443 1114 1 2 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.201 -0.444 18443 1115 1 2 . 1 1 78 78 GLY N N 78 105.453 105.453 104.876 0.577 18443 1116 1 2 . 1 1 78 78 GLY C C 78 171.794 171.794 172.853 -1.059 18443 1117 1 2 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.370 -0.761 18443 1118 1 2 . 1 1 78 78 GLY H H 78 6.725 6.725 8.735 -2.010 18443 1119 1 2 . 1 1 79 79 THR N N 79 110.056 110.056 114.426 -4.370 18443 1120 1 2 . 1 1 79 79 THR HA H 79 4.886 4.886 4.839 0.047 18443 1121 1 2 . 1 1 79 79 THR CA C 79 57.957 57.957 59.778 -1.821 18443 1122 1 2 . 1 1 79 79 THR CB C 79 70.685 70.685 71.762 -1.077 18443 1123 1 2 . 1 1 79 79 THR H H 79 8.771 8.771 7.975 0.796 18443 1124 1 2 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.453 0.626 18443 1125 1 2 . 1 1 80 80 PRO C C 80 176.536 176.536 175.584 0.952 18443 1126 1 2 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.803 0.756 18443 1127 1 2 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.596 3.075 18443 1128 1 2 . 1 1 81 81 THR N N 81 116.755 116.755 118.776 -2.021 18443 1129 1 2 . 1 1 81 81 THR HA H 81 5.425 5.425 5.126 0.299 18443 1130 1 2 . 1 1 81 81 THR C C 81 171.960 171.960 173.105 -1.145 18443 1131 1 2 . 1 1 81 81 THR CA C 81 63.540 63.540 61.344 2.196 18443 1132 1 2 . 1 1 81 81 THR CB C 81 71.840 71.840 71.141 0.699 18443 1133 1 2 . 1 1 81 81 THR H H 81 8.176 8.176 7.794 0.382 18443 1134 1 2 . 1 1 82 82 PHE N N 82 126.263 126.263 126.876 -0.613 18443 1135 1 2 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.010 0.626 18443 1136 1 2 . 1 1 82 82 PHE C C 82 174.738 174.738 174.443 0.295 18443 1137 1 2 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.493 -0.723 18443 1138 1 2 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.468 0.812 18443 1139 1 2 . 1 1 82 82 PHE H H 82 9.540 9.540 9.343 0.197 18443 1140 1 2 . 1 1 83 83 VAL N N 83 123.703 123.703 123.687 0.016 18443 1141 1 2 . 1 1 83 83 VAL HA H 83 4.541 4.541 5.036 -0.495 18443 1142 1 2 . 1 1 83 83 VAL C C 83 174.159 174.159 174.587 -0.428 18443 1143 1 2 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.286 0.743 18443 1144 1 2 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.644 1.463 18443 1145 1 2 . 1 1 83 83 VAL H H 83 9.208 9.208 9.086 0.122 18443 1146 1 2 . 1 1 84 84 PHE N N 84 126.003 126.003 127.413 -1.410 18443 1147 1 2 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.441 0.369 18443 1148 1 2 . 1 1 84 84 PHE C C 84 175.481 175.481 175.095 0.386 18443 1149 1 2 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.709 0.544 18443 1150 1 2 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.633 1.179 18443 1151 1 2 . 1 1 84 84 PHE H H 84 8.878 8.878 9.519 -0.641 18443 1152 1 2 . 1 1 85 85 LEU N N 85 123.597 123.597 124.399 -0.802 18443 1153 1 2 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.692 0.202 18443 1154 1 2 . 1 1 85 85 LEU C C 85 176.528 176.528 176.159 0.369 18443 1155 1 2 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.609 -0.239 18443 1156 1 2 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.718 3.481 18443 1157 1 2 . 1 1 85 85 LEU H H 85 9.604 9.604 9.427 0.177 18443 1158 1 2 . 1 1 86 86 VAL N N 86 118.274 118.274 123.609 -5.335 18443 1159 1 2 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.618 0.600 18443 1160 1 2 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.170 -1.609 18443 1161 1 2 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.451 2.042 18443 1162 1 2 . 1 1 86 86 VAL H H 86 9.457 9.457 9.229 0.228 18443 1163 1 2 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.374 -0.426 18443 1164 1 2 . 1 1 87 87 PRO C C 87 177.132 177.132 175.861 1.271 18443 1165 1 2 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.796 0.567 18443 1166 1 2 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.840 -0.181 18443 1167 1 2 . 1 1 88 88 LYS N N 88 124.554 124.554 122.554 2.000 18443 1168 1 2 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.442 -0.163 18443 1169 1 2 . 1 1 88 88 LYS C C 88 175.739 175.739 175.925 -0.186 18443 1170 1 2 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.690 -0.040 18443 1171 1 2 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.833 -0.135 18443 1172 1 2 . 1 1 88 88 LYS H H 88 8.119 8.119 8.325 -0.206 18443 1173 1 2 . 1 1 89 89 ALA N N 89 130.786 130.786 126.631 4.155 18443 1174 1 2 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.927 0.043 18443 1175 1 2 . 1 1 89 89 ALA C C 89 176.947 176.947 177.466 -0.519 18443 1176 1 2 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.738 -0.548 18443 1177 1 2 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.704 -0.325 18443 1178 1 2 . 1 1 89 89 ALA H H 89 9.128 9.128 8.805 0.323 18443 1179 1 2 . 1 1 90 90 GLY N N 90 106.698 106.698 106.623 0.075 18443 1180 1 2 . 1 1 90 90 GLY C C 90 173.352 173.352 172.930 0.422 18443 1181 1 2 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.181 0.405 18443 1182 1 2 . 1 1 90 90 GLY H H 90 8.393 8.393 8.136 0.257 18443 1183 1 2 . 1 1 91 91 ALA N N 91 125.038 125.038 122.087 2.951 18443 1184 1 2 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.693 -0.116 18443 1185 1 2 . 1 1 91 91 ALA C C 91 175.940 175.940 174.220 1.720 18443 1186 1 2 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.396 -0.934 18443 1187 1 2 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.973 -0.320 18443 1188 1 2 . 1 1 91 91 ALA H H 91 7.788 7.788 7.743 0.045 18443 1189 1 2 . 1 1 92 92 TRP N N 92 120.760 120.760 119.394 1.366 18443 1190 1 2 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.177 -0.037 18443 1191 1 2 . 1 1 92 92 TRP C C 92 175.960 175.960 176.179 -0.219 18443 1192 1 2 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.214 0.637 18443 1193 1 2 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.483 1.190 18443 1194 1 2 . 1 1 92 92 TRP H H 92 8.235 8.235 8.439 -0.204 18443 1195 1 2 . 1 1 93 93 GLU N N 93 124.341 124.341 124.685 -0.344 18443 1196 1 2 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.655 0.206 18443 1197 1 2 . 1 1 93 93 GLU C C 93 175.515 175.515 175.661 -0.146 18443 1198 1 2 . 1 1 93 93 GLU CA C 93 54.779 54.779 55.090 -0.311 18443 1199 1 2 . 1 1 93 93 GLU CB C 93 33.192 33.192 31.993 1.199 18443 1200 1 2 . 1 1 93 93 GLU H H 93 9.264 9.264 9.181 0.083 18443 1201 1 2 . 1 1 94 94 GLU N N 94 126.987 126.987 129.965 -2.978 18443 1202 1 2 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.605 0.592 18443 1203 1 2 . 1 1 94 94 GLU C C 94 177.604 177.604 176.146 1.458 18443 1204 1 2 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.343 -0.739 18443 1205 1 2 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.368 0.710 18443 1206 1 2 . 1 1 94 94 GLU H H 94 9.123 9.123 9.199 -0.076 18443 1207 1 2 . 1 1 95 95 VAL N N 95 122.004 122.004 126.847 -4.843 18443 1208 1 2 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.379 0.313 18443 1209 1 2 . 1 1 95 95 VAL C C 95 175.719 175.719 174.642 1.077 18443 1210 1 2 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.992 -0.657 18443 1211 1 2 . 1 1 95 95 VAL CB C 95 33.265 33.265 33.426 -0.161 18443 1212 1 2 . 1 1 95 95 VAL H H 95 9.099 9.099 8.796 0.302 18443 1213 1 2 . 1 1 96 96 GLY N N 96 107.961 107.961 107.075 0.886 18443 1214 1 2 . 1 1 96 96 GLY C C 96 171.052 171.052 172.078 -1.026 18443 1215 1 2 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.682 0.430 18443 1216 1 2 . 1 1 96 96 GLY H H 96 7.754 7.754 7.610 0.144 18443 1217 1 2 . 1 1 97 97 ARG N N 97 117.467 117.467 125.012 -7.545 18443 1218 1 2 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.682 -0.005 18443 1219 1 2 . 1 1 97 97 ARG C C 97 174.403 174.403 175.501 -1.098 18443 1220 1 2 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.221 0.405 18443 1221 1 2 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.657 0.656 18443 1222 1 2 . 1 1 97 97 ARG H H 97 8.489 8.489 8.542 -0.053 18443 1223 1 2 . 1 1 98 98 LEU N N 98 122.922 122.922 124.586 -1.664 18443 1224 1 2 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.959 -0.034 18443 1225 1 2 . 1 1 98 98 LEU C C 98 174.871 174.871 174.708 0.163 18443 1226 1 2 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.298 -0.327 18443 1227 1 2 . 1 1 98 98 LEU CB C 98 46.542 46.542 46.412 0.130 18443 1228 1 2 . 1 1 98 98 LEU H H 98 9.504 9.504 9.195 0.309 18443 1229 1 2 . 1 1 99 99 PHE N N 99 124.212 124.212 122.433 1.779 18443 1230 1 2 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.803 -0.155 18443 1231 1 2 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.573 -0.822 18443 1232 1 2 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.913 -1.681 18443 1233 1 2 . 1 1 99 99 PHE H H 99 9.146 9.146 8.775 0.371 18443 1234 1 2 . 1 1 100 100 GLY N N 100 116.438 116.438 114.836 1.602 18443 1235 1 2 . 1 1 100 100 GLY C C 100 173.343 173.343 172.796 0.547 18443 1236 1 2 . 1 1 100 100 GLY CA C 100 43.436 43.436 45.271 -1.835 18443 1237 1 2 . 1 1 100 100 GLY H H 100 8.464 8.464 7.581 0.883 18443 1238 1 2 . 1 1 101 101 SER N N 101 112.597 112.597 116.932 -4.335 18443 1239 1 2 . 1 1 101 101 SER HA H 101 4.616 4.616 4.727 -0.111 18443 1240 1 2 . 1 1 101 101 SER C C 101 175.075 175.075 172.710 2.365 18443 1241 1 2 . 1 1 101 101 SER CA C 101 58.288 58.288 58.145 0.142 18443 1242 1 2 . 1 1 101 101 SER CB C 101 64.305 64.305 64.111 0.194 18443 1243 1 2 . 1 1 101 101 SER H H 101 8.366 8.366 8.239 0.127 18443 1244 1 2 . 1 1 102 102 ARG N N 102 119.662 119.662 122.495 -2.833 18443 1245 1 2 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.265 0.666 18443 1246 1 2 . 1 1 102 102 ARG CA C 102 52.820 52.820 56.112 -3.292 18443 1247 1 2 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.441 2.001 18443 1248 1 2 . 1 1 102 102 ARG H H 102 7.767 7.767 8.419 -0.652 18443 1249 1 2 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.625 -0.074 18443 1250 1 2 . 1 1 103 103 PRO C C 103 177.345 177.345 178.307 -0.962 18443 1251 1 2 . 1 1 103 103 PRO CA C 103 62.076 62.076 61.865 0.211 18443 1252 1 2 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.713 0.155 18443 1253 1 2 . 1 1 104 104 ARG N N 104 121.205 121.205 121.041 0.164 18443 1254 1 2 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.849 0.083 18443 1255 1 2 . 1 1 104 104 ARG C C 104 177.368 177.368 178.294 -0.926 18443 1256 1 2 . 1 1 104 104 ARG CA C 104 60.911 60.911 60.677 0.234 18443 1257 1 2 . 1 1 104 104 ARG CB C 104 30.164 30.164 30.022 0.142 18443 1258 1 2 . 1 1 104 104 ARG H H 104 8.986 8.986 8.917 0.069 18443 1259 1 2 . 1 1 105 105 ALA N N 105 119.508 119.508 119.235 0.273 18443 1260 1 2 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.201 -0.092 18443 1261 1 2 . 1 1 105 105 ALA C C 105 181.065 181.065 179.949 1.116 18443 1262 1 2 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.922 0.823 18443 1263 1 2 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.967 0.329 18443 1264 1 2 . 1 1 105 105 ALA H H 105 9.033 9.033 8.456 0.577 18443 1265 1 2 . 1 1 106 106 GLU N N 106 117.537 117.537 119.553 -2.016 18443 1266 1 2 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.206 -0.077 18443 1267 1 2 . 1 1 106 106 GLU C C 106 178.041 178.041 178.478 -0.437 18443 1268 1 2 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.063 0.730 18443 1269 1 2 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.625 0.609 18443 1270 1 2 . 1 1 106 106 GLU H H 106 7.201 7.201 7.895 -0.694 18443 1271 1 2 . 1 1 107 107 PHE N N 107 120.721 120.721 121.840 -1.119 18443 1272 1 2 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.065 0.119 18443 1273 1 2 . 1 1 107 107 PHE C C 107 177.235 177.235 177.217 0.018 18443 1274 1 2 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.843 -0.100 18443 1275 1 2 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.194 0.889 18443 1276 1 2 . 1 1 107 107 PHE H H 107 8.555 8.555 8.605 -0.050 18443 1277 1 2 . 1 1 108 108 LEU N N 108 117.219 117.219 120.063 -2.844 18443 1278 1 2 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.694 0.137 18443 1279 1 2 . 1 1 108 108 LEU C C 108 178.406 178.406 178.702 -0.296 18443 1280 1 2 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.215 0.269 18443 1281 1 2 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.449 0.703 18443 1282 1 2 . 1 1 108 108 LEU H H 108 8.364 8.364 8.906 -0.542 18443 1283 1 2 . 1 1 109 109 LYS N N 109 118.680 118.680 118.933 -0.253 18443 1284 1 2 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.847 0.054 18443 1285 1 2 . 1 1 109 109 LYS C C 109 179.696 179.696 179.015 0.681 18443 1286 1 2 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.868 0.314 18443 1287 1 2 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.065 0.201 18443 1288 1 2 . 1 1 109 109 LYS H H 109 7.330 7.330 7.620 -0.290 18443 1289 1 2 . 1 1 110 110 GLU N N 110 119.802 119.802 120.381 -0.579 18443 1290 1 2 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.941 0.020 18443 1291 1 2 . 1 1 110 110 GLU C C 110 179.903 179.903 178.626 1.277 18443 1292 1 2 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.837 0.287 18443 1293 1 2 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.046 -0.274 18443 1294 1 2 . 1 1 110 110 GLU H H 110 8.077 8.077 7.878 0.199 18443 1295 1 2 . 1 1 111 111 LEU N N 111 120.129 120.129 120.757 -0.628 18443 1296 1 2 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.506 0.026 18443 1297 1 2 . 1 1 111 111 LEU C C 111 179.792 179.792 178.413 1.379 18443 1298 1 2 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.745 -0.311 18443 1299 1 2 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.260 1.468 18443 1300 1 2 . 1 1 111 111 LEU H H 111 8.341 8.341 8.277 0.064 18443 1301 1 2 . 1 1 112 112 ARG N N 112 118.350 118.350 118.612 -0.262 18443 1302 1 2 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.983 -0.087 18443 1303 1 2 . 1 1 112 112 ARG C C 112 179.446 179.446 179.243 0.203 18443 1304 1 2 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.753 1.570 18443 1305 1 2 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.283 0.595 18443 1306 1 2 . 1 1 112 112 ARG H H 112 8.166 8.166 8.123 0.043 18443 1307 1 2 . 1 1 113 113 GLN N N 113 118.358 118.358 118.907 -0.549 18443 1308 1 2 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.095 -0.002 18443 1309 1 2 . 1 1 113 113 GLN C C 113 179.137 179.137 178.343 0.794 18443 1310 1 2 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.695 0.136 18443 1311 1 2 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.797 -0.327 18443 1312 1 2 . 1 1 113 113 GLN H H 113 7.842 7.842 7.542 0.300 18443 1313 1 2 . 1 1 114 114 VAL N N 114 120.174 120.174 120.972 -0.798 18443 1314 1 2 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.557 0.094 18443 1315 1 2 . 1 1 114 114 VAL C C 114 177.853 177.853 178.150 -0.297 18443 1316 1 2 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.924 -0.860 18443 1317 1 2 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.848 0.391 18443 1318 1 2 . 1 1 114 114 VAL H H 114 7.947 7.947 8.522 -0.575 18443 1319 1 2 . 1 1 115 115 CYS N N 115 117.549 117.549 115.879 1.670 18443 1320 1 2 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.165 -0.085 18443 1321 1 2 . 1 1 115 115 CYS C C 115 177.204 177.204 176.001 1.203 18443 1322 1 2 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.694 -0.120 18443 1323 1 2 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.826 -0.069 18443 1324 1 2 . 1 1 115 115 CYS H H 115 7.801 7.801 7.823 -0.022 18443 1325 1 2 . 1 1 116 116 VAL N N 116 119.053 119.053 119.010 0.043 18443 1326 1 2 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.765 0.088 18443 1327 1 2 . 1 1 116 116 VAL C C 116 178.840 178.840 177.506 1.334 18443 1328 1 2 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.016 -0.574 18443 1329 1 2 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.934 -0.026 18443 1330 1 2 . 1 1 116 116 VAL H H 116 7.465 7.465 7.571 -0.106 18443 1331 1 2 . 1 1 117 117 LYS N N 117 121.003 121.003 119.840 1.163 18443 1332 1 2 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.050 0.126 18443 1333 1 2 . 1 1 117 117 LYS C C 117 178.689 178.689 178.560 0.129 18443 1334 1 2 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.893 -1.338 18443 1335 1 2 . 1 1 117 117 LYS CB C 117 32.718 32.718 32.240 0.478 18443 1336 1 2 . 1 1 117 117 LYS H H 117 7.915 7.915 8.496 -0.581 18443 1337 1 2 . 1 1 118 118 GLY N N 118 106.132 106.132 104.245 1.887 18443 1338 1 2 . 1 1 118 118 GLY C C 118 174.909 174.909 175.501 -0.592 18443 1339 1 2 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.047 -0.083 18443 1340 1 2 . 1 1 118 118 GLY H H 118 8.472 8.472 7.869 0.603 18443 1341 1 2 . 1 1 119 119 GLY N N 119 107.977 107.977 109.566 -1.589 18443 1342 1 2 . 1 1 119 119 GLY C C 119 174.631 174.631 173.427 1.204 18443 1343 1 2 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.066 0.899 18443 1344 1 2 . 1 1 119 119 GLY H H 119 7.791 7.791 7.743 0.048 18443 1345 1 2 . 1 1 120 120 ALA N N 120 123.981 123.981 121.915 2.066 18443 1346 1 2 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.907 -0.494 18443 1347 1 2 . 1 1 120 120 ALA C C 120 178.143 178.143 175.685 2.458 18443 1348 1 2 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.383 1.433 18443 1349 1 2 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.523 -0.421 18443 1350 1 2 . 1 1 120 120 ALA H H 120 8.171 8.171 8.378 -0.207 18443 1351 1 2 . 1 1 121 121 CYS N N 121 117.342 117.342 121.371 -4.029 18443 1352 1 2 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.827 -0.317 18443 1353 1 2 . 1 1 121 121 CYS C C 121 175.318 175.318 174.144 1.174 18443 1354 1 2 . 1 1 121 121 CYS CA C 121 58.974 58.974 58.919 0.055 18443 1355 1 2 . 1 1 121 121 CYS CB C 121 28.109 28.109 29.119 -1.010 18443 1356 1 2 . 1 1 121 121 CYS H H 121 8.200 8.200 8.930 -0.730 18443 1357 1 2 . 1 1 122 122 GLY N N 122 110.351 110.351 108.638 1.713 18443 1358 1 2 . 1 1 122 122 GLY C C 122 174.299 174.299 174.227 0.072 18443 1359 1 2 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.264 0.261 18443 1360 1 2 . 1 1 122 122 GLY H H 122 8.367 8.367 8.427 -0.060 18443 1361 1 2 . 1 1 123 123 GLU N N 123 120.589 120.589 120.970 -0.381 18443 1362 1 2 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.395 -0.088 18443 1363 1 2 . 1 1 123 123 GLU C C 123 177.296 177.296 177.100 0.196 18443 1364 1 2 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.958 -0.127 18443 1365 1 2 . 1 1 123 123 GLU CB C 123 30.461 30.461 30.173 0.288 18443 1366 1 2 . 1 1 123 123 GLU H H 123 8.280 8.280 8.132 0.148 18443 1367 1 2 . 1 1 124 124 GLY N N 124 109.521 109.521 107.113 2.408 18443 1368 1 2 . 1 1 124 124 GLY C C 124 174.189 174.189 175.922 -1.733 18443 1369 1 2 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.062 0.478 18443 1370 1 2 . 1 1 124 124 GLY H H 124 8.465 8.465 7.841 0.624 18443 1371 1 2 . 1 1 125 125 HIS N N 125 118.418 118.418 121.461 -3.043 18443 1372 1 2 . 1 1 125 125 HIS CA C 125 55.971 55.971 58.542 -2.571 18443 1373 1 2 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.318 -0.245 18443 1374 1 2 . 1 1 125 125 HIS H H 125 8.244 8.244 8.562 -0.318 18443 1375 1 3 . 1 1 2 2 SER HA H 2 4.050 4.050 4.313 -0.263 18443 1376 1 3 . 1 1 2 2 SER CA C 2 57.351 57.351 59.991 -2.640 18443 1377 1 3 . 1 1 2 2 SER CB C 2 63.259 63.259 63.632 -0.373 18443 1378 1 3 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.325 -0.023 18443 1379 1 3 . 1 1 3 3 LEU C C 3 175.706 175.706 176.606 -0.900 18443 1380 1 3 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.376 -0.090 18443 1381 1 3 . 1 1 3 3 LEU CB C 3 42.920 42.920 43.262 -0.342 18443 1382 1 3 . 1 1 4 4 ARG N N 4 127.222 127.222 124.822 2.400 18443 1383 1 3 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.314 0.004 18443 1384 1 3 . 1 1 4 4 ARG C C 4 173.862 173.862 174.934 -1.072 18443 1385 1 3 . 1 1 4 4 ARG CA C 4 54.980 54.980 55.502 -0.522 18443 1386 1 3 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.591 1.735 18443 1387 1 3 . 1 1 4 4 ARG H H 4 8.502 8.502 9.238 -0.736 18443 1388 1 3 . 1 1 5 5 TRP N N 5 123.052 123.052 125.752 -2.700 18443 1389 1 3 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.211 -0.211 18443 1390 1 3 . 1 1 5 5 TRP C C 5 176.309 176.309 176.026 0.283 18443 1391 1 3 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.694 -1.013 18443 1392 1 3 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.711 0.179 18443 1393 1 3 . 1 1 5 5 TRP H H 5 8.184 8.184 8.175 0.009 18443 1394 1 3 . 1 1 6 6 TYR N N 6 120.957 120.957 121.043 -0.086 18443 1395 1 3 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.053 -0.074 18443 1396 1 3 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.714 1.470 18443 1397 1 3 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.285 0.052 18443 1398 1 3 . 1 1 6 6 TYR H H 6 8.818 8.818 9.315 -0.497 18443 1399 1 3 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.726 0.184 18443 1400 1 3 . 1 1 7 7 PRO C C 7 177.869 177.869 177.534 0.335 18443 1401 1 3 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.908 -0.330 18443 1402 1 3 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.566 0.379 18443 1403 1 3 . 1 1 8 8 TYR N N 8 122.256 122.256 123.944 -1.688 18443 1404 1 3 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.004 0.039 18443 1405 1 3 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.352 -0.277 18443 1406 1 3 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.002 0.852 18443 1407 1 3 . 1 1 8 8 TYR H H 8 9.408 9.408 8.847 0.561 18443 1408 1 3 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.051 -0.009 18443 1409 1 3 . 1 1 9 9 PRO C C 9 180.472 180.472 178.775 1.697 18443 1410 1 3 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.661 0.725 18443 1411 1 3 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.251 -0.725 18443 1412 1 3 . 1 1 10 10 GLU N N 10 118.047 118.047 118.465 -0.418 18443 1413 1 3 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.040 0.014 18443 1414 1 3 . 1 1 10 10 GLU C C 10 178.293 178.293 178.217 0.076 18443 1415 1 3 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.267 -0.237 18443 1416 1 3 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.383 0.926 18443 1417 1 3 . 1 1 10 10 GLU H H 10 7.093 7.093 8.517 -1.424 18443 1418 1 3 . 1 1 11 11 ALA N N 11 121.740 121.740 122.858 -1.118 18443 1419 1 3 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.987 -0.366 18443 1420 1 3 . 1 1 11 11 ALA C C 11 178.890 178.890 179.510 -0.620 18443 1421 1 3 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.393 -0.874 18443 1422 1 3 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.555 0.490 18443 1423 1 3 . 1 1 11 11 ALA H H 11 8.447 8.447 8.686 -0.239 18443 1424 1 3 . 1 1 12 12 LEU N N 12 115.622 115.622 118.988 -3.366 18443 1425 1 3 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.595 -0.144 18443 1426 1 3 . 1 1 12 12 LEU C C 12 179.331 179.331 178.856 0.475 18443 1427 1 3 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.964 0.559 18443 1428 1 3 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.834 -0.389 18443 1429 1 3 . 1 1 12 12 LEU H H 12 7.354 7.354 7.572 -0.218 18443 1430 1 3 . 1 1 13 13 ALA N N 13 120.240 120.240 122.496 -2.256 18443 1431 1 3 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.153 0.022 18443 1432 1 3 . 1 1 13 13 ALA C C 13 181.630 181.630 179.742 1.888 18443 1433 1 3 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.095 0.230 18443 1434 1 3 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.172 -0.016 18443 1435 1 3 . 1 1 13 13 ALA H H 13 7.201 7.201 7.620 -0.419 18443 1436 1 3 . 1 1 14 14 LEU N N 14 120.757 120.757 120.766 -0.009 18443 1437 1 3 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.840 0.247 18443 1438 1 3 . 1 1 14 14 LEU C C 14 179.635 179.635 178.976 0.659 18443 1439 1 3 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.493 0.195 18443 1440 1 3 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.656 2.136 18443 1441 1 3 . 1 1 14 14 LEU H H 14 8.202 8.202 8.130 0.072 18443 1442 1 3 . 1 1 15 15 ALA N N 15 121.483 121.483 120.018 1.465 18443 1443 1 3 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.959 -0.085 18443 1444 1 3 . 1 1 15 15 ALA C C 15 180.839 180.839 179.909 0.930 18443 1445 1 3 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.274 0.974 18443 1446 1 3 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.415 1.221 18443 1447 1 3 . 1 1 15 15 ALA H H 15 8.594 8.594 8.240 0.354 18443 1448 1 3 . 1 1 16 16 GLN N N 16 117.131 117.131 120.465 -3.334 18443 1449 1 3 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.118 -0.149 18443 1450 1 3 . 1 1 16 16 GLN C C 16 178.701 178.701 178.544 0.157 18443 1451 1 3 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.948 0.205 18443 1452 1 3 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.661 0.218 18443 1453 1 3 . 1 1 16 16 GLN H H 16 8.609 8.609 8.530 0.079 18443 1454 1 3 . 1 1 17 17 ALA N N 17 120.088 120.088 120.704 -0.616 18443 1455 1 3 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.294 -0.175 18443 1456 1 3 . 1 1 17 17 ALA C C 17 179.305 179.305 178.099 1.206 18443 1457 1 3 . 1 1 17 17 ALA CA C 17 54.619 54.619 54.032 0.587 18443 1458 1 3 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.832 -0.570 18443 1459 1 3 . 1 1 17 17 ALA H H 17 7.635 7.635 8.118 -0.483 18443 1460 1 3 . 1 1 18 18 HIS N N 18 111.636 111.636 114.353 -2.717 18443 1461 1 3 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.662 0.150 18443 1462 1 3 . 1 1 18 18 HIS C C 18 175.021 175.021 175.414 -0.393 18443 1463 1 3 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.195 0.342 18443 1464 1 3 . 1 1 18 18 HIS CB C 18 31.211 31.211 30.823 0.388 18443 1465 1 3 . 1 1 18 18 HIS H H 18 7.728 7.728 7.473 0.255 18443 1466 1 3 . 1 1 19 19 GLY N N 19 111.899 111.899 108.772 3.127 18443 1467 1 3 . 1 1 19 19 GLY C C 19 175.071 175.071 174.350 0.721 18443 1468 1 3 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.900 1.755 18443 1469 1 3 . 1 1 19 19 GLY H H 19 7.886 7.886 7.992 -0.106 18443 1470 1 3 . 1 1 20 20 ARG N N 20 118.442 118.442 119.085 -0.643 18443 1471 1 3 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.527 0.084 18443 1472 1 3 . 1 1 20 20 ARG C C 20 174.586 174.586 175.669 -1.083 18443 1473 1 3 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.803 0.709 18443 1474 1 3 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.451 1.824 18443 1475 1 3 . 1 1 20 20 ARG H H 20 8.239 8.239 8.216 0.023 18443 1476 1 3 . 1 1 21 21 MET N N 21 115.457 115.457 118.001 -2.544 18443 1477 1 3 . 1 1 21 21 MET HA H 21 4.870 4.870 4.636 0.234 18443 1478 1 3 . 1 1 21 21 MET C C 21 175.707 175.707 175.101 0.606 18443 1479 1 3 . 1 1 21 21 MET CA C 21 56.111 56.111 55.285 0.827 18443 1480 1 3 . 1 1 21 21 MET CB C 21 35.717 35.717 35.047 0.670 18443 1481 1 3 . 1 1 21 21 MET H H 21 7.193 7.193 8.674 -1.481 18443 1482 1 3 . 1 1 22 22 VAL N N 22 119.607 119.607 120.104 -0.497 18443 1483 1 3 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.807 0.503 18443 1484 1 3 . 1 1 22 22 VAL C C 22 176.506 176.506 174.733 1.773 18443 1485 1 3 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.417 -0.988 18443 1486 1 3 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.185 2.473 18443 1487 1 3 . 1 1 22 22 VAL H H 22 9.034 9.034 9.127 -0.093 18443 1488 1 3 . 1 1 23 23 MET N N 23 126.309 126.309 128.413 -2.104 18443 1489 1 3 . 1 1 23 23 MET HA H 23 4.878 4.878 4.899 -0.021 18443 1490 1 3 . 1 1 23 23 MET C C 23 173.960 173.960 174.211 -0.251 18443 1491 1 3 . 1 1 23 23 MET CA C 23 54.184 54.184 54.524 -0.340 18443 1492 1 3 . 1 1 23 23 MET CB C 23 36.920 36.920 34.171 2.749 18443 1493 1 3 . 1 1 23 23 MET H H 23 8.704 8.704 9.109 -0.405 18443 1494 1 3 . 1 1 24 24 VAL N N 24 128.959 128.959 129.006 -0.047 18443 1495 1 3 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.098 0.240 18443 1496 1 3 . 1 1 24 24 VAL C C 24 174.245 174.245 174.144 0.101 18443 1497 1 3 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.670 0.083 18443 1498 1 3 . 1 1 24 24 VAL CB C 24 31.821 31.821 30.747 1.074 18443 1499 1 3 . 1 1 24 24 VAL H H 24 9.908 9.908 9.195 0.713 18443 1500 1 3 . 1 1 25 25 TYR N N 25 129.726 129.726 130.616 -0.890 18443 1501 1 3 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.364 -0.137 18443 1502 1 3 . 1 1 25 25 TYR C C 25 173.393 173.393 173.608 -0.215 18443 1503 1 3 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.359 -2.276 18443 1504 1 3 . 1 1 25 25 TYR CB C 25 39.518 39.518 41.245 -1.727 18443 1505 1 3 . 1 1 25 25 TYR H H 25 9.031 9.031 8.958 0.073 18443 1506 1 3 . 1 1 26 26 PHE N N 26 126.719 126.719 126.835 -0.116 18443 1507 1 3 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.817 0.278 18443 1508 1 3 . 1 1 26 26 PHE C C 26 174.151 174.151 174.588 -0.437 18443 1509 1 3 . 1 1 26 26 PHE CA C 26 57.438 57.438 56.612 0.826 18443 1510 1 3 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.700 -0.076 18443 1511 1 3 . 1 1 26 26 PHE H H 26 9.162 9.162 9.034 0.128 18443 1512 1 3 . 1 1 27 27 HIS N N 27 118.311 118.311 118.491 -0.180 18443 1513 1 3 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.880 0.282 18443 1514 1 3 . 1 1 27 27 HIS C C 27 173.044 173.044 173.294 -0.250 18443 1515 1 3 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.721 -0.261 18443 1516 1 3 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.278 1.810 18443 1517 1 3 . 1 1 27 27 HIS H H 27 8.168 8.168 8.437 -0.269 18443 1518 1 3 . 1 1 28 28 SER N N 28 112.150 112.150 112.989 -0.839 18443 1519 1 3 . 1 1 28 28 SER HA H 28 4.790 4.790 4.675 0.115 18443 1520 1 3 . 1 1 28 28 SER C C 28 176.815 176.815 174.172 2.643 18443 1521 1 3 . 1 1 28 28 SER CA C 28 56.260 56.260 55.205 1.055 18443 1522 1 3 . 1 1 28 28 SER CB C 28 65.470 65.470 65.415 0.055 18443 1523 1 3 . 1 1 28 28 SER H H 28 7.545 7.545 8.228 -0.683 18443 1524 1 3 . 1 1 29 29 GLU N N 29 130.603 130.603 121.972 8.631 18443 1525 1 3 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.198 -0.098 18443 1526 1 3 . 1 1 29 29 GLU C C 29 176.980 176.980 176.739 0.241 18443 1527 1 3 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.204 1.466 18443 1528 1 3 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.004 0.635 18443 1529 1 3 . 1 1 29 29 GLU H H 29 9.681 9.681 8.747 0.934 18443 1530 1 3 . 1 1 30 30 HIS N N 30 114.752 114.752 118.109 -3.357 18443 1531 1 3 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.799 -0.105 18443 1532 1 3 . 1 1 30 30 HIS C C 30 173.679 173.679 175.941 -2.262 18443 1533 1 3 . 1 1 30 30 HIS CA C 30 54.393 54.393 54.957 -0.564 18443 1534 1 3 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.380 -0.008 18443 1535 1 3 . 1 1 30 30 HIS H H 30 8.226 8.226 7.793 0.433 18443 1536 1 3 . 1 1 31 31 CYS N N 31 124.685 124.685 120.555 4.130 18443 1537 1 3 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.697 0.249 18443 1538 1 3 . 1 1 31 31 CYS C C 31 175.771 175.771 174.662 1.109 18443 1539 1 3 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.712 -0.596 18443 1540 1 3 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.071 4.344 18443 1541 1 3 . 1 1 31 31 CYS H H 31 7.091 7.091 7.561 -0.470 18443 1542 1 3 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.465 -0.131 18443 1543 1 3 . 1 1 32 32 PRO C C 32 179.352 179.352 178.439 0.913 18443 1544 1 3 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.735 0.458 18443 1545 1 3 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.127 -0.055 18443 1546 1 3 . 1 1 33 33 TYR N N 33 125.092 125.092 120.157 4.935 18443 1547 1 3 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.398 0.097 18443 1548 1 3 . 1 1 33 33 TYR C C 33 179.457 179.457 177.355 2.102 18443 1549 1 3 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.347 0.533 18443 1550 1 3 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.307 0.038 18443 1551 1 3 . 1 1 33 33 TYR H H 33 8.621 8.621 8.704 -0.083 18443 1552 1 3 . 1 1 34 34 CYS N N 34 127.272 127.272 118.311 8.961 18443 1553 1 3 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.236 0.099 18443 1554 1 3 . 1 1 34 34 CYS C C 34 176.672 176.672 176.103 0.569 18443 1555 1 3 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.814 3.345 18443 1556 1 3 . 1 1 34 34 CYS CB C 34 28.877 28.877 26.682 2.195 18443 1557 1 3 . 1 1 34 34 CYS H H 34 9.440 9.440 8.395 1.045 18443 1558 1 3 . 1 1 35 35 GLN N N 35 118.373 118.373 118.774 -0.401 18443 1559 1 3 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.895 0.164 18443 1560 1 3 . 1 1 35 35 GLN CA C 35 59.374 59.374 59.398 -0.023 18443 1561 1 3 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.733 -0.157 18443 1562 1 3 . 1 1 35 35 GLN H H 35 7.866 7.866 7.686 0.180 18443 1563 1 3 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.198 0.048 18443 1564 1 3 . 1 1 36 36 GLN C C 36 178.881 178.881 178.236 0.645 18443 1565 1 3 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.073 1.553 18443 1566 1 3 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.082 0.523 18443 1567 1 3 . 1 1 37 37 MET N N 37 117.759 117.759 119.887 -2.128 18443 1568 1 3 . 1 1 37 37 MET HA H 37 4.488 4.488 4.023 0.465 18443 1569 1 3 . 1 1 37 37 MET C C 37 179.838 179.838 178.257 1.581 18443 1570 1 3 . 1 1 37 37 MET CA C 37 57.229 57.229 60.270 -3.041 18443 1571 1 3 . 1 1 37 37 MET CB C 37 29.983 29.983 32.532 -2.549 18443 1572 1 3 . 1 1 37 37 MET H H 37 8.125 8.125 7.466 0.659 18443 1573 1 3 . 1 1 38 38 ASN N N 38 122.249 122.249 115.823 6.426 18443 1574 1 3 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.423 -0.061 18443 1575 1 3 . 1 1 38 38 ASN C C 38 177.355 177.355 176.671 0.684 18443 1576 1 3 . 1 1 38 38 ASN CA C 38 56.435 56.435 55.501 0.934 18443 1577 1 3 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.038 -0.526 18443 1578 1 3 . 1 1 38 38 ASN H H 38 9.245 9.245 8.465 0.780 18443 1579 1 3 . 1 1 39 39 THR N N 39 113.554 113.554 114.862 -1.308 18443 1580 1 3 . 1 1 39 39 THR HA H 39 3.853 3.853 3.927 -0.074 18443 1581 1 3 . 1 1 39 39 THR C C 39 176.277 176.277 174.564 1.713 18443 1582 1 3 . 1 1 39 39 THR CA C 39 65.843 65.843 65.620 0.223 18443 1583 1 3 . 1 1 39 39 THR CB C 39 69.595 69.595 68.909 0.686 18443 1584 1 3 . 1 1 39 39 THR H H 39 8.034 8.034 7.365 0.669 18443 1585 1 3 . 1 1 40 40 PHE N N 40 116.394 116.394 117.754 -1.360 18443 1586 1 3 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.475 0.345 18443 1587 1 3 . 1 1 40 40 PHE C C 40 176.255 176.255 177.422 -1.167 18443 1588 1 3 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.648 -0.933 18443 1589 1 3 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.523 1.362 18443 1590 1 3 . 1 1 40 40 PHE H H 40 8.309 8.309 7.496 0.813 18443 1591 1 3 . 1 1 41 41 VAL N N 41 117.246 117.246 118.575 -1.329 18443 1592 1 3 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.700 0.606 18443 1593 1 3 . 1 1 41 41 VAL C C 41 176.704 176.704 178.304 -1.600 18443 1594 1 3 . 1 1 41 41 VAL CA C 41 65.839 65.839 65.866 -0.027 18443 1595 1 3 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.691 1.948 18443 1596 1 3 . 1 1 41 41 VAL H H 41 7.678 7.678 7.642 0.036 18443 1597 1 3 . 1 1 42 42 LEU N N 42 117.179 117.179 117.214 -0.035 18443 1598 1 3 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.051 -0.103 18443 1599 1 3 . 1 1 42 42 LEU C C 42 175.837 175.837 176.573 -0.736 18443 1600 1 3 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.714 1.583 18443 1601 1 3 . 1 1 42 42 LEU CB C 42 41.115 41.115 41.886 -0.771 18443 1602 1 3 . 1 1 42 42 LEU H H 42 8.882 8.882 8.444 0.438 18443 1603 1 3 . 1 1 43 43 SER N N 43 105.494 105.494 112.669 -7.175 18443 1604 1 3 . 1 1 43 43 SER HA H 43 4.408 4.408 4.535 -0.127 18443 1605 1 3 . 1 1 43 43 SER C C 43 175.397 175.397 174.461 0.936 18443 1606 1 3 . 1 1 43 43 SER CA C 43 57.144 57.144 57.431 -0.287 18443 1607 1 3 . 1 1 43 43 SER CB C 43 64.117 64.117 63.402 0.715 18443 1608 1 3 . 1 1 43 43 SER H H 43 6.785 6.785 7.333 -0.548 18443 1609 1 3 . 1 1 44 44 ASP N N 44 126.617 126.617 123.838 2.779 18443 1610 1 3 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.616 0.195 18443 1611 1 3 . 1 1 44 44 ASP C C 44 175.644 175.644 175.781 -0.137 18443 1612 1 3 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.006 -0.333 18443 1613 1 3 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.187 1.486 18443 1614 1 3 . 1 1 44 44 ASP H H 44 7.443 7.443 7.533 -0.090 18443 1615 1 3 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.290 0.062 18443 1616 1 3 . 1 1 45 45 PRO C C 45 178.792 178.792 178.546 0.246 18443 1617 1 3 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.294 0.465 18443 1618 1 3 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.942 0.397 18443 1619 1 3 . 1 1 46 46 GLY N N 46 107.270 107.270 106.778 0.492 18443 1620 1 3 . 1 1 46 46 GLY C C 46 176.799 176.799 176.582 0.217 18443 1621 1 3 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.669 0.359 18443 1622 1 3 . 1 1 46 46 GLY H H 46 8.161 8.161 8.645 -0.484 18443 1623 1 3 . 1 1 47 47 VAL N N 47 124.473 124.473 122.567 1.906 18443 1624 1 3 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.672 -0.077 18443 1625 1 3 . 1 1 47 47 VAL C C 47 177.886 177.886 178.275 -0.389 18443 1626 1 3 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.820 0.680 18443 1627 1 3 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.227 1.198 18443 1628 1 3 . 1 1 47 47 VAL H H 47 8.344 8.344 8.408 -0.064 18443 1629 1 3 . 1 1 48 48 SER N N 48 113.807 113.807 115.194 -1.387 18443 1630 1 3 . 1 1 48 48 SER HA H 48 4.053 4.053 4.097 -0.044 18443 1631 1 3 . 1 1 48 48 SER C C 48 176.889 176.889 176.108 0.781 18443 1632 1 3 . 1 1 48 48 SER CA C 48 62.777 62.777 62.574 0.203 18443 1633 1 3 . 1 1 48 48 SER CB C 48 62.884 62.884 62.706 0.178 18443 1634 1 3 . 1 1 48 48 SER H H 48 9.023 9.023 8.747 0.276 18443 1635 1 3 . 1 1 49 49 ARG N N 49 119.875 119.875 121.744 -1.869 18443 1636 1 3 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.095 0.069 18443 1637 1 3 . 1 1 49 49 ARG C C 49 179.398 179.398 178.640 0.758 18443 1638 1 3 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.183 0.375 18443 1639 1 3 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.064 0.183 18443 1640 1 3 . 1 1 49 49 ARG H H 49 8.081 8.081 7.690 0.391 18443 1641 1 3 . 1 1 50 50 LEU N N 50 121.717 121.717 119.756 1.961 18443 1642 1 3 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.064 0.315 18443 1643 1 3 . 1 1 50 50 LEU C C 50 179.482 179.482 178.836 0.646 18443 1644 1 3 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.346 0.860 18443 1645 1 3 . 1 1 50 50 LEU CB C 50 41.835 41.835 42.032 -0.197 18443 1646 1 3 . 1 1 50 50 LEU H H 50 7.291 7.291 7.741 -0.450 18443 1647 1 3 . 1 1 51 51 LEU N N 51 118.677 118.677 118.117 0.560 18443 1648 1 3 . 1 1 51 51 LEU HA H 51 4.290 4.290 3.973 0.317 18443 1649 1 3 . 1 1 51 51 LEU C C 51 179.233 179.233 179.503 -0.270 18443 1650 1 3 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.146 1.197 18443 1651 1 3 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.465 1.921 18443 1652 1 3 . 1 1 51 51 LEU H H 51 8.358 8.358 7.476 0.882 18443 1653 1 3 . 1 1 52 52 GLU N N 52 116.437 116.437 118.033 -1.596 18443 1654 1 3 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.015 0.153 18443 1655 1 3 . 1 1 52 52 GLU C C 52 178.898 178.898 178.680 0.218 18443 1656 1 3 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.072 -0.079 18443 1657 1 3 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.036 1.169 18443 1658 1 3 . 1 1 52 52 GLU H H 52 8.715 8.715 8.752 -0.037 18443 1659 1 3 . 1 1 53 53 ALA N N 53 119.092 119.092 119.832 -0.740 18443 1660 1 3 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.211 0.216 18443 1661 1 3 . 1 1 53 53 ALA C C 53 180.298 180.298 178.442 1.856 18443 1662 1 3 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.665 -0.102 18443 1663 1 3 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.409 0.809 18443 1664 1 3 . 1 1 53 53 ALA H H 53 7.782 7.782 7.714 0.068 18443 1665 1 3 . 1 1 54 54 ARG N N 54 111.562 111.562 113.068 -1.506 18443 1666 1 3 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.527 0.128 18443 1667 1 3 . 1 1 54 54 ARG C C 54 175.560 175.560 174.522 1.038 18443 1668 1 3 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.129 -0.098 18443 1669 1 3 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.368 2.969 18443 1670 1 3 . 1 1 54 54 ARG H H 54 7.740 7.740 7.909 -0.169 18443 1671 1 3 . 1 1 55 55 PHE N N 55 117.038 117.038 120.360 -3.322 18443 1672 1 3 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.492 0.170 18443 1673 1 3 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.828 0.000 18443 1674 1 3 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.236 0.046 18443 1675 1 3 . 1 1 55 55 PHE H H 55 8.555 8.555 8.784 -0.229 18443 1676 1 3 . 1 1 56 56 VAL N N 56 121.038 121.038 120.737 0.301 18443 1677 1 3 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.400 -0.075 18443 1678 1 3 . 1 1 56 56 VAL C C 56 175.305 175.305 174.892 0.413 18443 1679 1 3 . 1 1 56 56 VAL CA C 56 62.946 62.946 60.823 2.123 18443 1680 1 3 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.202 1.303 18443 1681 1 3 . 1 1 56 56 VAL H H 56 8.817 8.817 9.327 -0.510 18443 1682 1 3 . 1 1 57 57 VAL N N 57 125.781 125.781 128.570 -2.789 18443 1683 1 3 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.254 0.722 18443 1684 1 3 . 1 1 57 57 VAL C C 57 174.535 174.535 174.293 0.242 18443 1685 1 3 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.502 -0.112 18443 1686 1 3 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.551 1.385 18443 1687 1 3 . 1 1 57 57 VAL H H 57 9.498 9.498 8.183 1.315 18443 1688 1 3 . 1 1 58 58 ALA N N 58 128.137 128.137 131.288 -3.151 18443 1689 1 3 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.535 0.086 18443 1690 1 3 . 1 1 58 58 ALA C C 58 175.953 175.953 176.885 -0.932 18443 1691 1 3 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.446 -0.682 18443 1692 1 3 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.725 0.990 18443 1693 1 3 . 1 1 58 58 ALA H H 58 9.062 9.062 9.182 -0.120 18443 1694 1 3 . 1 1 59 59 SER N N 59 117.343 117.343 121.382 -4.039 18443 1695 1 3 . 1 1 59 59 SER HA H 59 4.693 4.693 4.998 -0.305 18443 1696 1 3 . 1 1 59 59 SER C C 59 174.092 174.092 174.305 -0.213 18443 1697 1 3 . 1 1 59 59 SER CA C 59 56.135 56.135 57.413 -1.278 18443 1698 1 3 . 1 1 59 59 SER CB C 59 63.731 63.731 63.117 0.614 18443 1699 1 3 . 1 1 59 59 SER H H 59 8.676 8.676 9.236 -0.560 18443 1700 1 3 . 1 1 60 60 VAL N N 60 129.829 129.829 127.505 2.324 18443 1701 1 3 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.167 -0.238 18443 1702 1 3 . 1 1 60 60 VAL C C 60 172.999 172.999 174.417 -1.418 18443 1703 1 3 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.141 0.381 18443 1704 1 3 . 1 1 60 60 VAL CB C 60 33.335 33.335 31.663 1.672 18443 1705 1 3 . 1 1 60 60 VAL H H 60 8.716 8.716 8.730 -0.014 18443 1706 1 3 . 1 1 61 61 SER N N 61 119.457 119.457 123.038 -3.581 18443 1707 1 3 . 1 1 61 61 SER HA H 61 4.211 4.211 3.990 0.221 18443 1708 1 3 . 1 1 61 61 SER C C 61 178.511 178.511 175.626 2.885 18443 1709 1 3 . 1 1 61 61 SER CA C 61 55.404 55.404 57.453 -2.049 18443 1710 1 3 . 1 1 61 61 SER CB C 61 63.080 63.080 63.071 0.009 18443 1711 1 3 . 1 1 61 61 SER H H 61 8.250 8.250 8.656 -0.406 18443 1712 1 3 . 1 1 62 62 VAL N N 62 123.331 123.331 125.594 -2.263 18443 1713 1 3 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.794 0.247 18443 1714 1 3 . 1 1 62 62 VAL C C 62 174.434 174.434 175.994 -1.560 18443 1715 1 3 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.155 -1.378 18443 1716 1 3 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.532 -1.665 18443 1717 1 3 . 1 1 62 62 VAL H H 62 8.954 8.954 8.599 0.355 18443 1718 1 3 . 1 1 63 63 ASP N N 63 119.953 119.953 117.114 2.839 18443 1719 1 3 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.436 0.283 18443 1720 1 3 . 1 1 63 63 ASP C C 63 175.930 175.930 176.485 -0.555 18443 1721 1 3 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.906 -0.976 18443 1722 1 3 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.082 0.136 18443 1723 1 3 . 1 1 63 63 ASP H H 63 7.966 7.966 7.997 -0.031 18443 1724 1 3 . 1 1 64 64 THR N N 64 108.822 108.822 109.152 -0.330 18443 1725 1 3 . 1 1 64 64 THR HA H 64 4.963 4.963 4.729 0.234 18443 1726 1 3 . 1 1 64 64 THR C C 64 173.012 173.012 173.174 -0.162 18443 1727 1 3 . 1 1 64 64 THR CA C 64 58.176 58.176 58.513 -0.337 18443 1728 1 3 . 1 1 64 64 THR CB C 64 70.326 70.326 70.258 0.068 18443 1729 1 3 . 1 1 64 64 THR H H 64 7.315 7.315 7.258 0.057 18443 1730 1 3 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.122 0.166 18443 1731 1 3 . 1 1 65 65 PRO C C 65 180.307 180.307 178.223 2.084 18443 1732 1 3 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.914 -0.073 18443 1733 1 3 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.650 0.311 18443 1734 1 3 . 1 1 66 66 GLU N N 66 118.398 118.398 118.222 0.176 18443 1735 1 3 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.091 0.070 18443 1736 1 3 . 1 1 66 66 GLU C C 66 179.940 179.940 178.888 1.052 18443 1737 1 3 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.846 0.093 18443 1738 1 3 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.752 1.119 18443 1739 1 3 . 1 1 66 66 GLU H H 66 9.304 9.304 8.907 0.397 18443 1740 1 3 . 1 1 67 67 GLY N N 67 110.592 110.592 107.767 2.825 18443 1741 1 3 . 1 1 67 67 GLY C C 67 176.529 176.529 176.391 0.138 18443 1742 1 3 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.004 0.860 18443 1743 1 3 . 1 1 67 67 GLY H H 67 8.172 8.172 7.693 0.479 18443 1744 1 3 . 1 1 68 68 GLN N N 68 121.948 121.948 121.984 -0.036 18443 1745 1 3 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.901 0.112 18443 1746 1 3 . 1 1 68 68 GLN C C 68 179.366 179.366 178.454 0.912 18443 1747 1 3 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.491 -0.300 18443 1748 1 3 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.617 -0.683 18443 1749 1 3 . 1 1 68 68 GLN H H 68 8.504 8.504 8.426 0.078 18443 1750 1 3 . 1 1 69 69 GLU N N 69 120.280 120.280 120.499 -0.219 18443 1751 1 3 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.041 0.129 18443 1752 1 3 . 1 1 69 69 GLU C C 69 179.360 179.360 179.153 0.207 18443 1753 1 3 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.216 0.274 18443 1754 1 3 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.247 -0.316 18443 1755 1 3 . 1 1 69 69 GLU H H 69 7.815 7.815 8.653 -0.838 18443 1756 1 3 . 1 1 70 70 LEU N N 70 121.041 121.041 119.826 1.215 18443 1757 1 3 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.151 -0.035 18443 1758 1 3 . 1 1 70 70 LEU C C 70 178.961 178.961 179.370 -0.409 18443 1759 1 3 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.603 0.590 18443 1760 1 3 . 1 1 70 70 LEU CB C 70 42.727 42.727 40.701 2.026 18443 1761 1 3 . 1 1 70 70 LEU H H 70 7.758 7.758 7.633 0.125 18443 1762 1 3 . 1 1 71 71 ALA N N 71 122.094 122.094 121.712 0.382 18443 1763 1 3 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.885 -0.312 18443 1764 1 3 . 1 1 71 71 ALA C C 71 179.966 179.966 179.565 0.401 18443 1765 1 3 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.503 -0.465 18443 1766 1 3 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.348 -0.929 18443 1767 1 3 . 1 1 71 71 ALA H H 71 8.745 8.745 8.748 -0.003 18443 1768 1 3 . 1 1 72 72 ARG N N 72 118.463 118.463 117.488 0.975 18443 1769 1 3 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.021 0.100 18443 1770 1 3 . 1 1 72 72 ARG C C 72 180.905 180.905 178.611 2.294 18443 1771 1 3 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.694 0.830 18443 1772 1 3 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.779 0.523 18443 1773 1 3 . 1 1 72 72 ARG H H 72 7.862 7.862 8.393 -0.531 18443 1774 1 3 . 1 1 73 73 ARG N N 73 122.223 122.223 120.709 1.514 18443 1775 1 3 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.091 -0.133 18443 1776 1 3 . 1 1 73 73 ARG C C 73 178.562 178.562 177.620 0.942 18443 1777 1 3 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.747 0.791 18443 1778 1 3 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.604 -0.413 18443 1779 1 3 . 1 1 73 73 ARG H H 73 8.189 8.189 8.091 0.098 18443 1780 1 3 . 1 1 74 74 TYR N N 74 114.319 114.319 115.797 -1.478 18443 1781 1 3 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.660 -0.259 18443 1782 1 3 . 1 1 74 74 TYR C C 74 174.321 174.321 174.759 -0.438 18443 1783 1 3 . 1 1 74 74 TYR CA C 74 59.784 59.784 58.166 1.618 18443 1784 1 3 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.884 0.380 18443 1785 1 3 . 1 1 74 74 TYR H H 74 8.047 8.047 7.951 0.096 18443 1786 1 3 . 1 1 75 75 ARG N N 75 119.572 119.572 114.688 4.884 18443 1787 1 3 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.910 -0.041 18443 1788 1 3 . 1 1 75 75 ARG C C 75 175.880 175.880 174.879 1.001 18443 1789 1 3 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.735 0.105 18443 1790 1 3 . 1 1 75 75 ARG CB C 75 26.508 26.508 26.753 -0.245 18443 1791 1 3 . 1 1 75 75 ARG H H 75 7.865 7.865 7.809 0.056 18443 1792 1 3 . 1 1 76 76 VAL N N 76 119.885 119.885 119.266 0.619 18443 1793 1 3 . 1 1 76 76 VAL HA H 76 3.791 3.791 3.954 -0.163 18443 1794 1 3 . 1 1 76 76 VAL C C 76 176.374 176.374 174.616 1.758 18443 1795 1 3 . 1 1 76 76 VAL CA C 76 60.756 60.756 60.169 0.587 18443 1796 1 3 . 1 1 76 76 VAL CB C 76 31.913 31.913 31.684 0.229 18443 1797 1 3 . 1 1 76 76 VAL H H 76 8.024 8.024 8.112 -0.088 18443 1798 1 3 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.296 0.101 18443 1799 1 3 . 1 1 77 77 PRO C C 77 175.829 175.829 176.708 -0.879 18443 1800 1 3 . 1 1 77 77 PRO CA C 77 63.462 63.462 64.516 -1.054 18443 1801 1 3 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.372 -0.615 18443 1802 1 3 . 1 1 78 78 GLY N N 78 105.453 105.453 104.367 1.086 18443 1803 1 3 . 1 1 78 78 GLY C C 78 171.794 171.794 173.010 -1.216 18443 1804 1 3 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.116 -0.507 18443 1805 1 3 . 1 1 78 78 GLY H H 78 6.725 6.725 8.721 -1.996 18443 1806 1 3 . 1 1 79 79 THR N N 79 110.056 110.056 113.179 -3.123 18443 1807 1 3 . 1 1 79 79 THR HA H 79 4.886 4.886 4.522 0.364 18443 1808 1 3 . 1 1 79 79 THR CA C 79 57.957 57.957 60.431 -2.474 18443 1809 1 3 . 1 1 79 79 THR CB C 79 70.685 70.685 70.659 0.026 18443 1810 1 3 . 1 1 79 79 THR H H 79 8.771 8.771 7.662 1.109 18443 1811 1 3 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.712 0.367 18443 1812 1 3 . 1 1 80 80 PRO C C 80 176.536 176.536 175.530 1.006 18443 1813 1 3 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.321 0.238 18443 1814 1 3 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.194 3.477 18443 1815 1 3 . 1 1 81 81 THR N N 81 116.755 116.755 120.494 -3.739 18443 1816 1 3 . 1 1 81 81 THR HA H 81 5.425 5.425 5.175 0.250 18443 1817 1 3 . 1 1 81 81 THR C C 81 171.960 171.960 172.929 -0.969 18443 1818 1 3 . 1 1 81 81 THR CA C 81 63.540 63.540 61.676 1.864 18443 1819 1 3 . 1 1 81 81 THR CB C 81 71.840 71.840 71.423 0.417 18443 1820 1 3 . 1 1 81 81 THR H H 81 8.176 8.176 7.883 0.293 18443 1821 1 3 . 1 1 82 82 PHE N N 82 126.263 126.263 126.961 -0.698 18443 1822 1 3 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.121 0.515 18443 1823 1 3 . 1 1 82 82 PHE C C 82 174.738 174.738 174.344 0.394 18443 1824 1 3 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.389 -0.619 18443 1825 1 3 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.267 1.013 18443 1826 1 3 . 1 1 82 82 PHE H H 82 9.540 9.540 9.606 -0.066 18443 1827 1 3 . 1 1 83 83 VAL N N 83 123.703 123.703 123.124 0.579 18443 1828 1 3 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.543 -0.002 18443 1829 1 3 . 1 1 83 83 VAL C C 83 174.159 174.159 174.600 -0.441 18443 1830 1 3 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.358 0.671 18443 1831 1 3 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.450 1.657 18443 1832 1 3 . 1 1 83 83 VAL H H 83 9.208 9.208 9.190 0.018 18443 1833 1 3 . 1 1 84 84 PHE N N 84 126.003 126.003 127.497 -1.494 18443 1834 1 3 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.282 0.528 18443 1835 1 3 . 1 1 84 84 PHE C C 84 175.481 175.481 174.995 0.486 18443 1836 1 3 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.907 0.345 18443 1837 1 3 . 1 1 84 84 PHE CB C 84 41.812 41.812 39.992 1.820 18443 1838 1 3 . 1 1 84 84 PHE H H 84 8.878 8.878 9.209 -0.331 18443 1839 1 3 . 1 1 85 85 LEU N N 85 123.597 123.597 123.942 -0.345 18443 1840 1 3 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.792 0.102 18443 1841 1 3 . 1 1 85 85 LEU C C 85 176.528 176.528 176.321 0.207 18443 1842 1 3 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.505 -0.135 18443 1843 1 3 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.626 3.573 18443 1844 1 3 . 1 1 85 85 LEU H H 85 9.604 9.604 9.430 0.174 18443 1845 1 3 . 1 1 86 86 VAL N N 86 118.274 118.274 122.699 -4.425 18443 1846 1 3 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.659 0.559 18443 1847 1 3 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.647 -1.086 18443 1848 1 3 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.315 2.178 18443 1849 1 3 . 1 1 86 86 VAL H H 86 9.457 9.457 9.269 0.188 18443 1850 1 3 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.662 -0.714 18443 1851 1 3 . 1 1 87 87 PRO C C 87 177.132 177.132 175.891 1.241 18443 1852 1 3 . 1 1 87 87 PRO CA C 87 62.363 62.363 62.004 0.359 18443 1853 1 3 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.666 -0.007 18443 1854 1 3 . 1 1 88 88 LYS N N 88 124.554 124.554 122.989 1.565 18443 1855 1 3 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.532 -0.253 18443 1856 1 3 . 1 1 88 88 LYS C C 88 175.739 175.739 176.172 -0.433 18443 1857 1 3 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.521 0.129 18443 1858 1 3 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.580 0.118 18443 1859 1 3 . 1 1 88 88 LYS H H 88 8.119 8.119 8.435 -0.316 18443 1860 1 3 . 1 1 89 89 ALA N N 89 130.786 130.786 127.395 3.391 18443 1861 1 3 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.929 0.041 18443 1862 1 3 . 1 1 89 89 ALA C C 89 176.947 176.947 177.514 -0.567 18443 1863 1 3 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.716 -0.526 18443 1864 1 3 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.650 -0.271 18443 1865 1 3 . 1 1 89 89 ALA H H 89 9.128 9.128 8.862 0.266 18443 1866 1 3 . 1 1 90 90 GLY N N 90 106.698 106.698 106.951 -0.253 18443 1867 1 3 . 1 1 90 90 GLY C C 90 173.352 173.352 172.708 0.644 18443 1868 1 3 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.270 0.316 18443 1869 1 3 . 1 1 90 90 GLY H H 90 8.393 8.393 8.365 0.028 18443 1870 1 3 . 1 1 91 91 ALA N N 91 125.038 125.038 122.467 2.571 18443 1871 1 3 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.620 -0.043 18443 1872 1 3 . 1 1 91 91 ALA C C 91 175.940 175.940 174.614 1.326 18443 1873 1 3 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.987 -0.525 18443 1874 1 3 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.942 -0.290 18443 1875 1 3 . 1 1 91 91 ALA H H 91 7.788 7.788 7.566 0.222 18443 1876 1 3 . 1 1 92 92 TRP N N 92 120.760 120.760 120.545 0.215 18443 1877 1 3 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.039 0.101 18443 1878 1 3 . 1 1 92 92 TRP C C 92 175.960 175.960 176.264 -0.304 18443 1879 1 3 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.258 0.593 18443 1880 1 3 . 1 1 92 92 TRP CB C 92 32.673 32.673 30.467 2.206 18443 1881 1 3 . 1 1 92 92 TRP H H 92 8.235 8.235 8.507 -0.272 18443 1882 1 3 . 1 1 93 93 GLU N N 93 124.341 124.341 124.223 0.118 18443 1883 1 3 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.696 0.165 18443 1884 1 3 . 1 1 93 93 GLU C C 93 175.515 175.515 175.486 0.029 18443 1885 1 3 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.364 0.415 18443 1886 1 3 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.342 -0.149 18443 1887 1 3 . 1 1 93 93 GLU H H 93 9.264 9.264 8.880 0.384 18443 1888 1 3 . 1 1 94 94 GLU N N 94 126.987 126.987 127.107 -0.120 18443 1889 1 3 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.682 0.515 18443 1890 1 3 . 1 1 94 94 GLU C C 94 177.604 177.604 176.244 1.360 18443 1891 1 3 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.620 -0.016 18443 1892 1 3 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.962 0.116 18443 1893 1 3 . 1 1 94 94 GLU H H 94 9.123 9.123 9.024 0.099 18443 1894 1 3 . 1 1 95 95 VAL N N 95 122.004 122.004 126.902 -4.898 18443 1895 1 3 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.420 0.272 18443 1896 1 3 . 1 1 95 95 VAL C C 95 175.719 175.719 174.113 1.606 18443 1897 1 3 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.519 -0.184 18443 1898 1 3 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.991 0.274 18443 1899 1 3 . 1 1 95 95 VAL H H 95 9.099 9.099 8.914 0.185 18443 1900 1 3 . 1 1 96 96 GLY N N 96 107.961 107.961 106.692 1.269 18443 1901 1 3 . 1 1 96 96 GLY C C 96 171.052 171.052 171.530 -0.478 18443 1902 1 3 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.378 0.734 18443 1903 1 3 . 1 1 96 96 GLY H H 96 7.754 7.754 7.547 0.207 18443 1904 1 3 . 1 1 97 97 ARG N N 97 117.467 117.467 123.752 -6.285 18443 1905 1 3 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.660 0.017 18443 1906 1 3 . 1 1 97 97 ARG C C 97 174.403 174.403 174.885 -0.482 18443 1907 1 3 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.462 1.165 18443 1908 1 3 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.152 1.161 18443 1909 1 3 . 1 1 97 97 ARG H H 97 8.489 8.489 8.402 0.087 18443 1910 1 3 . 1 1 98 98 LEU N N 98 122.922 122.922 124.034 -1.112 18443 1911 1 3 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.933 -0.008 18443 1912 1 3 . 1 1 98 98 LEU C C 98 174.871 174.871 174.871 0.000 18443 1913 1 3 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.248 -0.277 18443 1914 1 3 . 1 1 98 98 LEU CB C 98 46.542 46.542 45.715 0.827 18443 1915 1 3 . 1 1 98 98 LEU H H 98 9.504 9.504 9.278 0.226 18443 1916 1 3 . 1 1 99 99 PHE N N 99 124.212 124.212 123.247 0.965 18443 1917 1 3 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.814 -0.166 18443 1918 1 3 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.841 -1.090 18443 1919 1 3 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.921 -0.689 18443 1920 1 3 . 1 1 99 99 PHE H H 99 9.146 9.146 8.661 0.485 18443 1921 1 3 . 1 1 100 100 GLY N N 100 116.438 116.438 113.920 2.518 18443 1922 1 3 . 1 1 100 100 GLY C C 100 173.343 173.343 172.227 1.116 18443 1923 1 3 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.042 -0.606 18443 1924 1 3 . 1 1 100 100 GLY H H 100 8.464 8.464 7.834 0.630 18443 1925 1 3 . 1 1 101 101 SER N N 101 112.597 112.597 117.416 -4.819 18443 1926 1 3 . 1 1 101 101 SER HA H 101 4.616 4.616 4.872 -0.256 18443 1927 1 3 . 1 1 101 101 SER C C 101 175.075 175.075 174.502 0.573 18443 1928 1 3 . 1 1 101 101 SER CA C 101 58.288 58.288 57.894 0.394 18443 1929 1 3 . 1 1 101 101 SER CB C 101 64.305 64.305 64.036 0.269 18443 1930 1 3 . 1 1 101 101 SER H H 101 8.366 8.366 8.366 0.000 18443 1931 1 3 . 1 1 102 102 ARG N N 102 119.662 119.662 126.259 -6.597 18443 1932 1 3 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.878 0.053 18443 1933 1 3 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.698 0.122 18443 1934 1 3 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.966 1.476 18443 1935 1 3 . 1 1 102 102 ARG H H 102 7.767 7.767 8.531 -0.764 18443 1936 1 3 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.549 0.002 18443 1937 1 3 . 1 1 103 103 PRO C C 103 177.345 177.345 177.409 -0.064 18443 1938 1 3 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.288 -0.212 18443 1939 1 3 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.634 0.234 18443 1940 1 3 . 1 1 104 104 ARG N N 104 121.205 121.205 122.598 -1.393 18443 1941 1 3 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.950 -0.018 18443 1942 1 3 . 1 1 104 104 ARG C C 104 177.368 177.368 178.142 -0.774 18443 1943 1 3 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.638 1.273 18443 1944 1 3 . 1 1 104 104 ARG CB C 104 30.164 30.164 30.010 0.154 18443 1945 1 3 . 1 1 104 104 ARG H H 104 8.986 8.986 8.847 0.139 18443 1946 1 3 . 1 1 105 105 ALA N N 105 119.508 119.508 121.696 -2.188 18443 1947 1 3 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.174 -0.065 18443 1948 1 3 . 1 1 105 105 ALA C C 105 181.065 181.065 179.961 1.104 18443 1949 1 3 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.992 0.753 18443 1950 1 3 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.975 0.321 18443 1951 1 3 . 1 1 105 105 ALA H H 105 9.033 9.033 8.515 0.518 18443 1952 1 3 . 1 1 106 106 GLU N N 106 117.537 117.537 118.964 -1.427 18443 1953 1 3 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.108 0.021 18443 1954 1 3 . 1 1 106 106 GLU C C 106 178.041 178.041 178.906 -0.865 18443 1955 1 3 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.848 -0.055 18443 1956 1 3 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.449 0.785 18443 1957 1 3 . 1 1 106 106 GLU H H 106 7.201 7.201 7.606 -0.405 18443 1958 1 3 . 1 1 107 107 PHE N N 107 120.721 120.721 122.337 -1.616 18443 1959 1 3 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.177 0.007 18443 1960 1 3 . 1 1 107 107 PHE C C 107 177.235 177.235 177.718 -0.483 18443 1961 1 3 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.930 -0.187 18443 1962 1 3 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.310 0.773 18443 1963 1 3 . 1 1 107 107 PHE H H 107 8.555 8.555 8.944 -0.389 18443 1964 1 3 . 1 1 108 108 LEU N N 108 117.219 117.219 117.809 -0.590 18443 1965 1 3 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.898 -0.067 18443 1966 1 3 . 1 1 108 108 LEU C C 108 178.406 178.406 178.546 -0.140 18443 1967 1 3 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.215 1.269 18443 1968 1 3 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.451 0.701 18443 1969 1 3 . 1 1 108 108 LEU H H 108 8.364 8.364 8.551 -0.187 18443 1970 1 3 . 1 1 109 109 LYS N N 109 118.680 118.680 121.083 -2.403 18443 1971 1 3 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.957 -0.056 18443 1972 1 3 . 1 1 109 109 LYS C C 109 179.696 179.696 178.667 1.029 18443 1973 1 3 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.935 0.246 18443 1974 1 3 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.314 -0.048 18443 1975 1 3 . 1 1 109 109 LYS H H 109 7.330 7.330 7.818 -0.488 18443 1976 1 3 . 1 1 110 110 GLU N N 110 119.802 119.802 119.582 0.220 18443 1977 1 3 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.983 -0.022 18443 1978 1 3 . 1 1 110 110 GLU C C 110 179.903 179.903 179.063 0.840 18443 1979 1 3 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.947 0.177 18443 1980 1 3 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.654 -0.882 18443 1981 1 3 . 1 1 110 110 GLU H H 110 8.077 8.077 8.220 -0.143 18443 1982 1 3 . 1 1 111 111 LEU N N 111 120.129 120.129 120.459 -0.330 18443 1983 1 3 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.518 0.014 18443 1984 1 3 . 1 1 111 111 LEU C C 111 179.792 179.792 177.928 1.864 18443 1985 1 3 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.099 0.335 18443 1986 1 3 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.488 1.240 18443 1987 1 3 . 1 1 111 111 LEU H H 111 8.341 8.341 8.469 -0.128 18443 1988 1 3 . 1 1 112 112 ARG N N 112 118.350 118.350 119.258 -0.908 18443 1989 1 3 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.952 -0.056 18443 1990 1 3 . 1 1 112 112 ARG C C 112 179.446 179.446 178.910 0.536 18443 1991 1 3 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.880 1.443 18443 1992 1 3 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.468 0.410 18443 1993 1 3 . 1 1 112 112 ARG H H 112 8.166 8.166 7.485 0.681 18443 1994 1 3 . 1 1 113 113 GLN N N 113 118.358 118.358 119.127 -0.769 18443 1995 1 3 . 1 1 113 113 GLN HA H 113 4.093 4.093 3.932 0.161 18443 1996 1 3 . 1 1 113 113 GLN C C 113 179.137 179.137 178.389 0.748 18443 1997 1 3 . 1 1 113 113 GLN CA C 113 58.831 58.831 59.158 -0.327 18443 1998 1 3 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.581 -0.111 18443 1999 1 3 . 1 1 113 113 GLN H H 113 7.842 7.842 7.687 0.155 18443 2000 1 3 . 1 1 114 114 VAL N N 114 120.174 120.174 119.721 0.453 18443 2001 1 3 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.588 0.063 18443 2002 1 3 . 1 1 114 114 VAL C C 114 177.853 177.853 178.028 -0.175 18443 2003 1 3 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.261 -0.198 18443 2004 1 3 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.396 -0.157 18443 2005 1 3 . 1 1 114 114 VAL H H 114 7.947 7.947 7.607 0.340 18443 2006 1 3 . 1 1 115 115 CYS N N 115 117.549 117.549 116.701 0.848 18443 2007 1 3 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.584 -0.504 18443 2008 1 3 . 1 1 115 115 CYS C C 115 177.204 177.204 176.844 0.360 18443 2009 1 3 . 1 1 115 115 CYS CA C 115 63.574 63.574 61.247 2.327 18443 2010 1 3 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.442 0.315 18443 2011 1 3 . 1 1 115 115 CYS H H 115 7.801 7.801 8.458 -0.657 18443 2012 1 3 . 1 1 116 116 VAL N N 116 119.053 119.053 122.538 -3.485 18443 2013 1 3 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.777 0.076 18443 2014 1 3 . 1 1 116 116 VAL C C 116 178.840 178.840 177.829 1.011 18443 2015 1 3 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.864 -0.422 18443 2016 1 3 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.239 0.669 18443 2017 1 3 . 1 1 116 116 VAL H H 116 7.465 7.465 7.526 -0.061 18443 2018 1 3 . 1 1 117 117 LYS N N 117 121.003 121.003 120.207 0.796 18443 2019 1 3 . 1 1 117 117 LYS HA H 117 4.176 4.176 3.988 0.188 18443 2020 1 3 . 1 1 117 117 LYS C C 117 178.689 178.689 178.662 0.027 18443 2021 1 3 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.640 -1.085 18443 2022 1 3 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.908 0.810 18443 2023 1 3 . 1 1 117 117 LYS H H 117 7.915 7.915 8.037 -0.122 18443 2024 1 3 . 1 1 118 118 GLY N N 118 106.132 106.132 104.339 1.793 18443 2025 1 3 . 1 1 118 118 GLY C C 118 174.909 174.909 175.611 -0.702 18443 2026 1 3 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.298 -0.334 18443 2027 1 3 . 1 1 118 118 GLY H H 118 8.472 8.472 7.770 0.702 18443 2028 1 3 . 1 1 119 119 GLY N N 119 107.977 107.977 109.295 -1.318 18443 2029 1 3 . 1 1 119 119 GLY C C 119 174.631 174.631 175.016 -0.385 18443 2030 1 3 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.171 0.795 18443 2031 1 3 . 1 1 119 119 GLY H H 119 7.791 7.791 7.493 0.298 18443 2032 1 3 . 1 1 120 120 ALA N N 120 123.981 123.981 122.206 1.775 18443 2033 1 3 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.591 -0.178 18443 2034 1 3 . 1 1 120 120 ALA C C 120 178.143 178.143 176.971 1.172 18443 2035 1 3 . 1 1 120 120 ALA CA C 120 52.816 52.816 50.953 1.863 18443 2036 1 3 . 1 1 120 120 ALA CB C 120 19.102 19.102 18.211 0.891 18443 2037 1 3 . 1 1 120 120 ALA H H 120 8.171 8.171 8.245 -0.074 18443 2038 1 3 . 1 1 121 121 CYS N N 121 117.342 117.342 118.387 -1.045 18443 2039 1 3 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.334 0.176 18443 2040 1 3 . 1 1 121 121 CYS C C 121 175.318 175.318 175.511 -0.193 18443 2041 1 3 . 1 1 121 121 CYS CA C 121 58.974 58.974 59.486 -0.512 18443 2042 1 3 . 1 1 121 121 CYS CB C 121 28.109 28.109 26.938 1.171 18443 2043 1 3 . 1 1 121 121 CYS H H 121 8.200 8.200 8.082 0.118 18443 2044 1 3 . 1 1 122 122 GLY N N 122 110.351 110.351 109.300 1.051 18443 2045 1 3 . 1 1 122 122 GLY C C 122 174.299 174.299 172.656 1.643 18443 2046 1 3 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.026 0.499 18443 2047 1 3 . 1 1 122 122 GLY H H 122 8.367 8.367 7.879 0.488 18443 2048 1 3 . 1 1 123 123 GLU N N 123 120.589 120.589 122.055 -1.466 18443 2049 1 3 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.877 -0.570 18443 2050 1 3 . 1 1 123 123 GLU C C 123 177.296 177.296 177.147 0.149 18443 2051 1 3 . 1 1 123 123 GLU CA C 123 56.830 56.830 55.038 1.792 18443 2052 1 3 . 1 1 123 123 GLU CB C 123 30.461 30.461 32.084 -1.623 18443 2053 1 3 . 1 1 123 123 GLU H H 123 8.280 8.280 8.062 0.218 18443 2054 1 3 . 1 1 124 124 GLY N N 124 109.521 109.521 107.984 1.537 18443 2055 1 3 . 1 1 124 124 GLY C C 124 174.189 174.189 175.236 -1.047 18443 2056 1 3 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.476 0.064 18443 2057 1 3 . 1 1 124 124 GLY H H 124 8.465 8.465 8.854 -0.389 18443 2058 1 3 . 1 1 125 125 HIS N N 125 118.418 118.418 118.721 -0.303 18443 2059 1 3 . 1 1 125 125 HIS CA C 125 55.971 55.971 55.172 0.799 18443 2060 1 3 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.002 0.071 18443 2061 1 3 . 1 1 125 125 HIS H H 125 8.244 8.244 7.987 0.257 18443 2062 1 4 . 1 1 2 2 SER HA H 2 4.050 4.050 4.722 -0.672 18443 2063 1 4 . 1 1 2 2 SER CA C 2 57.351 57.351 57.962 -0.610 18443 2064 1 4 . 1 1 2 2 SER CB C 2 63.259 63.259 64.063 -0.804 18443 2065 1 4 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.199 0.103 18443 2066 1 4 . 1 1 3 3 LEU C C 3 175.706 175.706 175.832 -0.126 18443 2067 1 4 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.778 -0.492 18443 2068 1 4 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.711 0.209 18443 2069 1 4 . 1 1 4 4 ARG N N 4 127.222 127.222 127.231 -0.009 18443 2070 1 4 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.513 -0.195 18443 2071 1 4 . 1 1 4 4 ARG C C 4 173.862 173.862 174.339 -0.477 18443 2072 1 4 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.916 0.064 18443 2073 1 4 . 1 1 4 4 ARG CB C 4 31.326 31.326 31.302 0.024 18443 2074 1 4 . 1 1 4 4 ARG H H 4 8.502 8.502 8.616 -0.114 18443 2075 1 4 . 1 1 5 5 TRP N N 5 123.052 123.052 125.039 -1.987 18443 2076 1 4 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.149 -0.149 18443 2077 1 4 . 1 1 5 5 TRP C C 5 176.309 176.309 175.906 0.403 18443 2078 1 4 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.594 -0.913 18443 2079 1 4 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.146 0.744 18443 2080 1 4 . 1 1 5 5 TRP H H 5 8.184 8.184 8.446 -0.262 18443 2081 1 4 . 1 1 6 6 TYR N N 6 120.957 120.957 122.423 -1.466 18443 2082 1 4 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.016 -0.037 18443 2083 1 4 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.821 1.363 18443 2084 1 4 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.097 0.240 18443 2085 1 4 . 1 1 6 6 TYR H H 6 8.818 8.818 9.184 -0.366 18443 2086 1 4 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.706 0.204 18443 2087 1 4 . 1 1 7 7 PRO C C 7 177.869 177.869 177.686 0.183 18443 2088 1 4 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.770 -0.192 18443 2089 1 4 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.687 0.258 18443 2090 1 4 . 1 1 8 8 TYR N N 8 122.256 122.256 123.003 -0.747 18443 2091 1 4 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.092 -0.049 18443 2092 1 4 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.675 -0.600 18443 2093 1 4 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.260 0.594 18443 2094 1 4 . 1 1 8 8 TYR H H 8 9.408 9.408 9.560 -0.152 18443 2095 1 4 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.174 -0.132 18443 2096 1 4 . 1 1 9 9 PRO C C 9 180.472 180.472 178.557 1.915 18443 2097 1 4 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.428 -0.042 18443 2098 1 4 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.121 -0.595 18443 2099 1 4 . 1 1 10 10 GLU N N 10 118.047 118.047 118.519 -0.472 18443 2100 1 4 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.013 0.041 18443 2101 1 4 . 1 1 10 10 GLU C C 10 178.293 178.293 178.121 0.172 18443 2102 1 4 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.967 0.063 18443 2103 1 4 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.262 1.047 18443 2104 1 4 . 1 1 10 10 GLU H H 10 7.093 7.093 8.236 -1.143 18443 2105 1 4 . 1 1 11 11 ALA N N 11 121.740 121.740 122.932 -1.192 18443 2106 1 4 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.077 -0.456 18443 2107 1 4 . 1 1 11 11 ALA C C 11 178.890 178.890 179.612 -0.722 18443 2108 1 4 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.435 -0.916 18443 2109 1 4 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.432 0.613 18443 2110 1 4 . 1 1 11 11 ALA H H 11 8.447 8.447 8.546 -0.099 18443 2111 1 4 . 1 1 12 12 LEU N N 12 115.622 115.622 118.151 -2.529 18443 2112 1 4 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.664 -0.213 18443 2113 1 4 . 1 1 12 12 LEU C C 12 179.331 179.331 179.123 0.208 18443 2114 1 4 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.645 0.878 18443 2115 1 4 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.927 -0.482 18443 2116 1 4 . 1 1 12 12 LEU H H 12 7.354 7.354 7.871 -0.517 18443 2117 1 4 . 1 1 13 13 ALA N N 13 120.240 120.240 122.299 -2.059 18443 2118 1 4 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.137 0.038 18443 2119 1 4 . 1 1 13 13 ALA C C 13 181.630 181.630 179.666 1.964 18443 2120 1 4 . 1 1 13 13 ALA CA C 13 55.325 55.325 54.909 0.416 18443 2121 1 4 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.345 -0.190 18443 2122 1 4 . 1 1 13 13 ALA H H 13 7.201 7.201 7.690 -0.489 18443 2123 1 4 . 1 1 14 14 LEU N N 14 120.757 120.757 120.947 -0.190 18443 2124 1 4 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.188 -0.101 18443 2125 1 4 . 1 1 14 14 LEU C C 14 179.635 179.635 179.029 0.606 18443 2126 1 4 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.939 -0.251 18443 2127 1 4 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.795 0.997 18443 2128 1 4 . 1 1 14 14 LEU H H 14 8.202 8.202 8.124 0.078 18443 2129 1 4 . 1 1 15 15 ALA N N 15 121.483 121.483 120.358 1.125 18443 2130 1 4 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.030 -0.156 18443 2131 1 4 . 1 1 15 15 ALA C C 15 180.839 180.839 179.896 0.943 18443 2132 1 4 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.355 0.893 18443 2133 1 4 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.418 1.218 18443 2134 1 4 . 1 1 15 15 ALA H H 15 8.594 8.594 8.148 0.446 18443 2135 1 4 . 1 1 16 16 GLN N N 16 117.131 117.131 120.133 -3.002 18443 2136 1 4 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.179 -0.210 18443 2137 1 4 . 1 1 16 16 GLN C C 16 178.701 178.701 178.033 0.668 18443 2138 1 4 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.734 0.419 18443 2139 1 4 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.738 0.141 18443 2140 1 4 . 1 1 16 16 GLN H H 16 8.609 8.609 8.509 0.100 18443 2141 1 4 . 1 1 17 17 ALA N N 17 120.088 120.088 120.609 -0.521 18443 2142 1 4 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.234 -0.115 18443 2143 1 4 . 1 1 17 17 ALA C C 17 179.305 179.305 178.218 1.087 18443 2144 1 4 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.829 0.790 18443 2145 1 4 . 1 1 17 17 ALA CB C 17 18.263 18.263 19.195 -0.932 18443 2146 1 4 . 1 1 17 17 ALA H H 17 7.635 7.635 8.210 -0.575 18443 2147 1 4 . 1 1 18 18 HIS N N 18 111.636 111.636 113.790 -2.154 18443 2148 1 4 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.682 0.130 18443 2149 1 4 . 1 1 18 18 HIS C C 18 175.021 175.021 175.334 -0.313 18443 2150 1 4 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.981 -0.444 18443 2151 1 4 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.345 -0.134 18443 2152 1 4 . 1 1 18 18 HIS H H 18 7.728 7.728 7.653 0.075 18443 2153 1 4 . 1 1 19 19 GLY N N 19 111.899 111.899 109.407 2.492 18443 2154 1 4 . 1 1 19 19 GLY C C 19 175.071 175.071 174.359 0.712 18443 2155 1 4 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.999 1.656 18443 2156 1 4 . 1 1 19 19 GLY H H 19 7.886 7.886 8.078 -0.192 18443 2157 1 4 . 1 1 20 20 ARG N N 20 118.442 118.442 119.094 -0.652 18443 2158 1 4 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.525 0.086 18443 2159 1 4 . 1 1 20 20 ARG C C 20 174.586 174.586 175.003 -0.417 18443 2160 1 4 . 1 1 20 20 ARG CA C 20 54.512 54.512 54.038 0.474 18443 2161 1 4 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.392 1.883 18443 2162 1 4 . 1 1 20 20 ARG H H 20 8.239 8.239 8.219 0.020 18443 2163 1 4 . 1 1 21 21 MET N N 21 115.457 115.457 118.573 -3.116 18443 2164 1 4 . 1 1 21 21 MET HA H 21 4.870 4.870 4.580 0.290 18443 2165 1 4 . 1 1 21 21 MET C C 21 175.707 175.707 174.901 0.806 18443 2166 1 4 . 1 1 21 21 MET CA C 21 56.111 56.111 54.910 1.201 18443 2167 1 4 . 1 1 21 21 MET CB C 21 35.717 35.717 36.210 -0.493 18443 2168 1 4 . 1 1 21 21 MET H H 21 7.193 7.193 8.733 -1.540 18443 2169 1 4 . 1 1 22 22 VAL N N 22 119.607 119.607 120.026 -0.419 18443 2170 1 4 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.947 0.363 18443 2171 1 4 . 1 1 22 22 VAL C C 22 176.506 176.506 174.933 1.573 18443 2172 1 4 . 1 1 22 22 VAL CA C 22 60.429 60.429 60.831 -0.402 18443 2173 1 4 . 1 1 22 22 VAL CB C 22 35.658 35.658 34.364 1.294 18443 2174 1 4 . 1 1 22 22 VAL H H 22 9.034 9.034 8.706 0.328 18443 2175 1 4 . 1 1 23 23 MET N N 23 126.309 126.309 125.826 0.483 18443 2176 1 4 . 1 1 23 23 MET HA H 23 4.878 4.878 5.157 -0.279 18443 2177 1 4 . 1 1 23 23 MET C C 23 173.960 173.960 174.424 -0.464 18443 2178 1 4 . 1 1 23 23 MET CA C 23 54.184 54.184 54.260 -0.076 18443 2179 1 4 . 1 1 23 23 MET CB C 23 36.920 36.920 34.933 1.987 18443 2180 1 4 . 1 1 23 23 MET H H 23 8.704 8.704 8.909 -0.205 18443 2181 1 4 . 1 1 24 24 VAL N N 24 128.959 128.959 124.598 4.361 18443 2182 1 4 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.069 0.269 18443 2183 1 4 . 1 1 24 24 VAL C C 24 174.245 174.245 174.436 -0.191 18443 2184 1 4 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.851 -0.098 18443 2185 1 4 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.070 0.751 18443 2186 1 4 . 1 1 24 24 VAL H H 24 9.908 9.908 9.093 0.815 18443 2187 1 4 . 1 1 25 25 TYR N N 25 129.726 129.726 130.908 -1.182 18443 2188 1 4 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.908 0.319 18443 2189 1 4 . 1 1 25 25 TYR C C 25 173.393 173.393 173.847 -0.454 18443 2190 1 4 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.704 -2.621 18443 2191 1 4 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.245 0.273 18443 2192 1 4 . 1 1 25 25 TYR H H 25 9.031 9.031 9.076 -0.045 18443 2193 1 4 . 1 1 26 26 PHE N N 26 126.719 126.719 128.035 -1.316 18443 2194 1 4 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.878 0.217 18443 2195 1 4 . 1 1 26 26 PHE C C 26 174.151 174.151 174.942 -0.791 18443 2196 1 4 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.605 -0.167 18443 2197 1 4 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.986 0.638 18443 2198 1 4 . 1 1 26 26 PHE H H 26 9.162 9.162 8.982 0.180 18443 2199 1 4 . 1 1 27 27 HIS N N 27 118.311 118.311 120.170 -1.859 18443 2200 1 4 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.864 0.298 18443 2201 1 4 . 1 1 27 27 HIS C C 27 173.044 173.044 172.960 0.084 18443 2202 1 4 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.946 -0.486 18443 2203 1 4 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.013 2.075 18443 2204 1 4 . 1 1 27 27 HIS H H 27 8.168 8.168 9.073 -0.905 18443 2205 1 4 . 1 1 28 28 SER N N 28 112.150 112.150 115.583 -3.433 18443 2206 1 4 . 1 1 28 28 SER HA H 28 4.790 4.790 4.793 -0.003 18443 2207 1 4 . 1 1 28 28 SER C C 28 176.815 176.815 174.033 2.782 18443 2208 1 4 . 1 1 28 28 SER CA C 28 56.260 56.260 55.606 0.654 18443 2209 1 4 . 1 1 28 28 SER CB C 28 65.470 65.470 65.432 0.038 18443 2210 1 4 . 1 1 28 28 SER H H 28 7.545 7.545 8.213 -0.668 18443 2211 1 4 . 1 1 29 29 GLU N N 29 130.603 130.603 122.521 8.082 18443 2212 1 4 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.297 -0.197 18443 2213 1 4 . 1 1 29 29 GLU C C 29 176.980 176.980 177.398 -0.418 18443 2214 1 4 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.932 0.738 18443 2215 1 4 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.326 0.313 18443 2216 1 4 . 1 1 29 29 GLU H H 29 9.681 9.681 8.817 0.864 18443 2217 1 4 . 1 1 30 30 HIS N N 30 114.752 114.752 117.488 -2.736 18443 2218 1 4 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.541 0.153 18443 2219 1 4 . 1 1 30 30 HIS C C 30 173.679 173.679 175.459 -1.780 18443 2220 1 4 . 1 1 30 30 HIS CA C 30 54.393 54.393 57.006 -2.613 18443 2221 1 4 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.518 -1.146 18443 2222 1 4 . 1 1 30 30 HIS H H 30 8.226 8.226 7.764 0.462 18443 2223 1 4 . 1 1 31 31 CYS N N 31 124.685 124.685 120.248 4.437 18443 2224 1 4 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.961 -0.015 18443 2225 1 4 . 1 1 31 31 CYS C C 31 175.771 175.771 173.729 2.042 18443 2226 1 4 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.431 -0.315 18443 2227 1 4 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.720 2.695 18443 2228 1 4 . 1 1 31 31 CYS H H 31 7.091 7.091 8.002 -0.911 18443 2229 1 4 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.607 -0.273 18443 2230 1 4 . 1 1 32 32 PRO C C 32 179.352 179.352 176.652 2.700 18443 2231 1 4 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.509 0.684 18443 2232 1 4 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.164 -0.092 18443 2233 1 4 . 1 1 33 33 TYR N N 33 125.092 125.092 119.853 5.239 18443 2234 1 4 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.356 0.139 18443 2235 1 4 . 1 1 33 33 TYR C C 33 179.457 179.457 176.639 2.818 18443 2236 1 4 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.239 0.641 18443 2237 1 4 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.128 0.217 18443 2238 1 4 . 1 1 33 33 TYR H H 33 8.621 8.621 8.343 0.278 18443 2239 1 4 . 1 1 34 34 CYS N N 34 127.272 127.272 115.356 11.916 18443 2240 1 4 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.370 -0.035 18443 2241 1 4 . 1 1 34 34 CYS C C 34 176.672 176.672 176.336 0.336 18443 2242 1 4 . 1 1 34 34 CYS CA C 34 64.159 64.159 59.890 4.269 18443 2243 1 4 . 1 1 34 34 CYS CB C 34 28.877 28.877 28.940 -0.063 18443 2244 1 4 . 1 1 34 34 CYS H H 34 9.440 9.440 8.055 1.385 18443 2245 1 4 . 1 1 35 35 GLN N N 35 118.373 118.373 120.881 -2.508 18443 2246 1 4 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.982 0.077 18443 2247 1 4 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.250 1.124 18443 2248 1 4 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.610 -0.034 18443 2249 1 4 . 1 1 35 35 GLN H H 35 7.866 7.866 8.097 -0.231 18443 2250 1 4 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.071 0.175 18443 2251 1 4 . 1 1 36 36 GLN C C 36 178.881 178.881 178.106 0.775 18443 2252 1 4 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.886 0.740 18443 2253 1 4 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.279 0.326 18443 2254 1 4 . 1 1 37 37 MET N N 37 117.759 117.759 118.627 -0.868 18443 2255 1 4 . 1 1 37 37 MET HA H 37 4.488 4.488 4.236 0.252 18443 2256 1 4 . 1 1 37 37 MET C C 37 179.838 179.838 178.418 1.420 18443 2257 1 4 . 1 1 37 37 MET CA C 37 57.229 57.229 57.143 0.086 18443 2258 1 4 . 1 1 37 37 MET CB C 37 29.983 29.983 32.139 -2.156 18443 2259 1 4 . 1 1 37 37 MET H H 37 8.125 8.125 7.448 0.677 18443 2260 1 4 . 1 1 38 38 ASN N N 38 122.249 122.249 118.498 3.751 18443 2261 1 4 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.372 -0.010 18443 2262 1 4 . 1 1 38 38 ASN C C 38 177.355 177.355 177.512 -0.157 18443 2263 1 4 . 1 1 38 38 ASN CA C 38 56.435 56.435 57.080 -0.645 18443 2264 1 4 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.506 -0.994 18443 2265 1 4 . 1 1 38 38 ASN H H 38 9.245 9.245 8.796 0.449 18443 2266 1 4 . 1 1 39 39 THR N N 39 113.554 113.554 115.020 -1.466 18443 2267 1 4 . 1 1 39 39 THR HA H 39 3.853 3.853 3.850 0.003 18443 2268 1 4 . 1 1 39 39 THR C C 39 176.277 176.277 175.485 0.792 18443 2269 1 4 . 1 1 39 39 THR CA C 39 65.843 65.843 65.975 -0.132 18443 2270 1 4 . 1 1 39 39 THR CB C 39 69.595 69.595 68.294 1.301 18443 2271 1 4 . 1 1 39 39 THR H H 39 8.034 8.034 7.695 0.339 18443 2272 1 4 . 1 1 40 40 PHE N N 40 116.394 116.394 118.493 -2.099 18443 2273 1 4 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.539 0.281 18443 2274 1 4 . 1 1 40 40 PHE C C 40 176.255 176.255 177.324 -1.069 18443 2275 1 4 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.840 -1.125 18443 2276 1 4 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.770 2.115 18443 2277 1 4 . 1 1 40 40 PHE H H 40 8.309 8.309 7.448 0.861 18443 2278 1 4 . 1 1 41 41 VAL N N 41 117.246 117.246 118.559 -1.313 18443 2279 1 4 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.702 0.604 18443 2280 1 4 . 1 1 41 41 VAL C C 41 176.704 176.704 177.103 -0.399 18443 2281 1 4 . 1 1 41 41 VAL CA C 41 65.839 65.839 65.863 -0.024 18443 2282 1 4 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.835 1.804 18443 2283 1 4 . 1 1 41 41 VAL H H 41 7.678 7.678 7.818 -0.140 18443 2284 1 4 . 1 1 42 42 LEU N N 42 117.179 117.179 118.300 -1.121 18443 2285 1 4 . 1 1 42 42 LEU HA H 42 3.948 3.948 3.920 0.028 18443 2286 1 4 . 1 1 42 42 LEU C C 42 175.837 175.837 177.291 -1.454 18443 2287 1 4 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.089 1.207 18443 2288 1 4 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.988 -1.873 18443 2289 1 4 . 1 1 42 42 LEU H H 42 8.882 8.882 7.960 0.922 18443 2290 1 4 . 1 1 43 43 SER N N 43 105.494 105.494 111.507 -6.013 18443 2291 1 4 . 1 1 43 43 SER HA H 43 4.408 4.408 4.392 0.016 18443 2292 1 4 . 1 1 43 43 SER C C 43 175.397 175.397 173.889 1.508 18443 2293 1 4 . 1 1 43 43 SER CA C 43 57.144 57.144 59.029 -1.885 18443 2294 1 4 . 1 1 43 43 SER CB C 43 64.117 64.117 63.334 0.783 18443 2295 1 4 . 1 1 43 43 SER H H 43 6.785 6.785 7.375 -0.590 18443 2296 1 4 . 1 1 44 44 ASP N N 44 126.617 126.617 123.875 2.742 18443 2297 1 4 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.551 0.260 18443 2298 1 4 . 1 1 44 44 ASP C C 44 175.644 175.644 175.587 0.057 18443 2299 1 4 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.568 -0.895 18443 2300 1 4 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.184 1.489 18443 2301 1 4 . 1 1 44 44 ASP H H 44 7.443 7.443 7.269 0.174 18443 2302 1 4 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.192 0.160 18443 2303 1 4 . 1 1 45 45 PRO C C 45 178.792 178.792 178.240 0.552 18443 2304 1 4 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.251 0.508 18443 2305 1 4 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.976 0.363 18443 2306 1 4 . 1 1 46 46 GLY N N 46 107.270 107.270 105.409 1.861 18443 2307 1 4 . 1 1 46 46 GLY C C 46 176.799 176.799 176.196 0.603 18443 2308 1 4 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.738 0.290 18443 2309 1 4 . 1 1 46 46 GLY H H 46 8.161 8.161 8.211 -0.050 18443 2310 1 4 . 1 1 47 47 VAL N N 47 124.473 124.473 122.572 1.901 18443 2311 1 4 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.655 -0.060 18443 2312 1 4 . 1 1 47 47 VAL C C 47 177.886 177.886 178.189 -0.303 18443 2313 1 4 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.978 0.522 18443 2314 1 4 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.460 0.965 18443 2315 1 4 . 1 1 47 47 VAL H H 47 8.344 8.344 8.074 0.270 18443 2316 1 4 . 1 1 48 48 SER N N 48 113.807 113.807 116.264 -2.457 18443 2317 1 4 . 1 1 48 48 SER HA H 48 4.053 4.053 4.048 0.005 18443 2318 1 4 . 1 1 48 48 SER C C 48 176.889 176.889 176.524 0.365 18443 2319 1 4 . 1 1 48 48 SER CA C 48 62.777 62.777 62.564 0.213 18443 2320 1 4 . 1 1 48 48 SER CB C 48 62.884 62.884 62.898 -0.014 18443 2321 1 4 . 1 1 48 48 SER H H 48 9.023 9.023 8.659 0.363 18443 2322 1 4 . 1 1 49 49 ARG N N 49 119.875 119.875 121.207 -1.332 18443 2323 1 4 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.067 0.097 18443 2324 1 4 . 1 1 49 49 ARG C C 49 179.398 179.398 178.902 0.496 18443 2325 1 4 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.200 0.358 18443 2326 1 4 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.110 0.137 18443 2327 1 4 . 1 1 49 49 ARG H H 49 8.081 8.081 7.795 0.286 18443 2328 1 4 . 1 1 50 50 LEU N N 50 121.717 121.717 120.239 1.478 18443 2329 1 4 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.126 0.253 18443 2330 1 4 . 1 1 50 50 LEU C C 50 179.482 179.482 178.806 0.676 18443 2331 1 4 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.528 0.678 18443 2332 1 4 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.919 -0.084 18443 2333 1 4 . 1 1 50 50 LEU H H 50 7.291 7.291 7.835 -0.544 18443 2334 1 4 . 1 1 51 51 LEU N N 51 118.677 118.677 119.202 -0.525 18443 2335 1 4 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.118 0.172 18443 2336 1 4 . 1 1 51 51 LEU C C 51 179.233 179.233 179.652 -0.419 18443 2337 1 4 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.316 1.027 18443 2338 1 4 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.368 2.018 18443 2339 1 4 . 1 1 51 51 LEU H H 51 8.358 8.358 7.509 0.849 18443 2340 1 4 . 1 1 52 52 GLU N N 52 116.437 116.437 118.693 -2.256 18443 2341 1 4 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.968 0.200 18443 2342 1 4 . 1 1 52 52 GLU C C 52 178.898 178.898 179.465 -0.567 18443 2343 1 4 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.796 -0.803 18443 2344 1 4 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.060 1.145 18443 2345 1 4 . 1 1 52 52 GLU H H 52 8.715 8.715 9.038 -0.323 18443 2346 1 4 . 1 1 53 53 ALA N N 53 119.092 119.092 121.749 -2.657 18443 2347 1 4 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.135 0.292 18443 2348 1 4 . 1 1 53 53 ALA C C 53 180.298 180.298 178.684 1.614 18443 2349 1 4 . 1 1 53 53 ALA CA C 53 54.563 54.563 55.370 -0.807 18443 2350 1 4 . 1 1 53 53 ALA CB C 53 20.218 20.218 18.855 1.363 18443 2351 1 4 . 1 1 53 53 ALA H H 53 7.782 7.782 7.884 -0.102 18443 2352 1 4 . 1 1 54 54 ARG N N 54 111.562 111.562 112.964 -1.402 18443 2353 1 4 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.454 0.201 18443 2354 1 4 . 1 1 54 54 ARG C C 54 175.560 175.560 175.399 0.161 18443 2355 1 4 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.898 -0.867 18443 2356 1 4 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.961 2.376 18443 2357 1 4 . 1 1 54 54 ARG H H 54 7.740 7.740 7.741 -0.001 18443 2358 1 4 . 1 1 55 55 PHE N N 55 117.038 117.038 121.616 -4.578 18443 2359 1 4 . 1 1 55 55 PHE HA H 55 5.662 5.662 4.819 0.843 18443 2360 1 4 . 1 1 55 55 PHE CA C 55 56.828 56.828 58.415 -1.587 18443 2361 1 4 . 1 1 55 55 PHE CB C 55 43.282 43.282 40.784 2.498 18443 2362 1 4 . 1 1 55 55 PHE H H 55 8.555 8.555 8.667 -0.112 18443 2363 1 4 . 1 1 56 56 VAL N N 56 121.038 121.038 122.084 -1.046 18443 2364 1 4 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.307 0.018 18443 2365 1 4 . 1 1 56 56 VAL C C 56 175.305 175.305 174.746 0.559 18443 2366 1 4 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.065 1.881 18443 2367 1 4 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.007 1.498 18443 2368 1 4 . 1 1 56 56 VAL H H 56 8.817 8.817 9.217 -0.400 18443 2369 1 4 . 1 1 57 57 VAL N N 57 125.781 125.781 128.071 -2.290 18443 2370 1 4 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.125 0.851 18443 2371 1 4 . 1 1 57 57 VAL C C 57 174.535 174.535 174.318 0.217 18443 2372 1 4 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.504 -0.114 18443 2373 1 4 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.277 1.659 18443 2374 1 4 . 1 1 57 57 VAL H H 57 9.498 9.498 8.221 1.277 18443 2375 1 4 . 1 1 58 58 ALA N N 58 128.137 128.137 131.104 -2.967 18443 2376 1 4 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.526 0.095 18443 2377 1 4 . 1 1 58 58 ALA C C 58 175.953 175.953 176.750 -0.797 18443 2378 1 4 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.462 -0.699 18443 2379 1 4 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.689 1.026 18443 2380 1 4 . 1 1 58 58 ALA H H 58 9.062 9.062 9.005 0.057 18443 2381 1 4 . 1 1 59 59 SER N N 59 117.343 117.343 121.463 -4.120 18443 2382 1 4 . 1 1 59 59 SER HA H 59 4.693 4.693 5.018 -0.325 18443 2383 1 4 . 1 1 59 59 SER C C 59 174.092 174.092 174.300 -0.208 18443 2384 1 4 . 1 1 59 59 SER CA C 59 56.135 56.135 57.346 -1.211 18443 2385 1 4 . 1 1 59 59 SER CB C 59 63.731 63.731 62.972 0.759 18443 2386 1 4 . 1 1 59 59 SER H H 59 8.676 8.676 9.023 -0.347 18443 2387 1 4 . 1 1 60 60 VAL N N 60 129.829 129.829 128.296 1.533 18443 2388 1 4 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.318 -0.389 18443 2389 1 4 . 1 1 60 60 VAL C C 60 172.999 172.999 174.799 -1.800 18443 2390 1 4 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.304 0.218 18443 2391 1 4 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.458 -0.123 18443 2392 1 4 . 1 1 60 60 VAL H H 60 8.716 8.716 8.890 -0.174 18443 2393 1 4 . 1 1 61 61 SER N N 61 119.457 119.457 123.245 -3.788 18443 2394 1 4 . 1 1 61 61 SER HA H 61 4.211 4.211 4.602 -0.391 18443 2395 1 4 . 1 1 61 61 SER C C 61 178.511 178.511 175.447 3.064 18443 2396 1 4 . 1 1 61 61 SER CA C 61 55.404 55.404 56.347 -0.943 18443 2397 1 4 . 1 1 61 61 SER CB C 61 63.080 63.080 63.864 -0.783 18443 2398 1 4 . 1 1 61 61 SER H H 61 8.250 8.250 8.773 -0.523 18443 2399 1 4 . 1 1 62 62 VAL N N 62 123.331 123.331 127.274 -3.943 18443 2400 1 4 . 1 1 62 62 VAL HA H 62 4.041 4.041 4.026 0.015 18443 2401 1 4 . 1 1 62 62 VAL C C 62 174.434 174.434 174.836 -0.402 18443 2402 1 4 . 1 1 62 62 VAL CA C 62 62.777 62.777 62.903 -0.126 18443 2403 1 4 . 1 1 62 62 VAL CB C 62 29.867 29.867 28.479 1.388 18443 2404 1 4 . 1 1 62 62 VAL H H 62 8.954 8.954 8.809 0.145 18443 2405 1 4 . 1 1 63 63 ASP N N 63 119.953 119.953 121.359 -1.406 18443 2406 1 4 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.693 0.026 18443 2407 1 4 . 1 1 63 63 ASP C C 63 175.930 175.930 175.672 0.258 18443 2408 1 4 . 1 1 63 63 ASP CA C 63 54.930 54.930 54.601 0.329 18443 2409 1 4 . 1 1 63 63 ASP CB C 63 41.218 41.218 42.958 -1.740 18443 2410 1 4 . 1 1 63 63 ASP H H 63 7.966 7.966 8.591 -0.625 18443 2411 1 4 . 1 1 64 64 THR N N 64 108.822 108.822 114.400 -5.578 18443 2412 1 4 . 1 1 64 64 THR HA H 64 4.963 4.963 4.782 0.180 18443 2413 1 4 . 1 1 64 64 THR C C 64 173.012 173.012 174.003 -0.991 18443 2414 1 4 . 1 1 64 64 THR CA C 64 58.176 58.176 59.778 -1.602 18443 2415 1 4 . 1 1 64 64 THR CB C 64 70.326 70.326 69.000 1.326 18443 2416 1 4 . 1 1 64 64 THR H H 64 7.315 7.315 7.548 -0.233 18443 2417 1 4 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.183 0.105 18443 2418 1 4 . 1 1 65 65 PRO C C 65 180.307 180.307 178.635 1.672 18443 2419 1 4 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.807 0.034 18443 2420 1 4 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.763 0.198 18443 2421 1 4 . 1 1 66 66 GLU N N 66 118.398 118.398 119.560 -1.162 18443 2422 1 4 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.008 0.153 18443 2423 1 4 . 1 1 66 66 GLU C C 66 179.940 179.940 178.816 1.124 18443 2424 1 4 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.401 0.538 18443 2425 1 4 . 1 1 66 66 GLU CB C 66 28.871 28.871 28.142 0.729 18443 2426 1 4 . 1 1 66 66 GLU H H 66 9.304 9.304 8.601 0.703 18443 2427 1 4 . 1 1 67 67 GLY N N 67 110.592 110.592 107.832 2.760 18443 2428 1 4 . 1 1 67 67 GLY C C 67 176.529 176.529 176.469 0.060 18443 2429 1 4 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.435 0.428 18443 2430 1 4 . 1 1 67 67 GLY H H 67 8.172 8.172 7.750 0.422 18443 2431 1 4 . 1 1 68 68 GLN N N 68 121.948 121.948 121.589 0.359 18443 2432 1 4 . 1 1 68 68 GLN HA H 68 4.013 4.013 4.021 -0.008 18443 2433 1 4 . 1 1 68 68 GLN C C 68 179.366 179.366 178.633 0.733 18443 2434 1 4 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.365 -0.174 18443 2435 1 4 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.878 -0.944 18443 2436 1 4 . 1 1 68 68 GLN H H 68 8.504 8.504 8.367 0.137 18443 2437 1 4 . 1 1 69 69 GLU N N 69 120.280 120.280 120.136 0.144 18443 2438 1 4 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.095 0.075 18443 2439 1 4 . 1 1 69 69 GLU C C 69 179.360 179.360 179.037 0.323 18443 2440 1 4 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.090 0.400 18443 2441 1 4 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.291 -0.360 18443 2442 1 4 . 1 1 69 69 GLU H H 69 7.815 7.815 8.711 -0.896 18443 2443 1 4 . 1 1 70 70 LEU N N 70 121.041 121.041 121.498 -0.457 18443 2444 1 4 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.140 -0.024 18443 2445 1 4 . 1 1 70 70 LEU C C 70 178.961 178.961 178.904 0.057 18443 2446 1 4 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.137 0.056 18443 2447 1 4 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.514 1.212 18443 2448 1 4 . 1 1 70 70 LEU H H 70 7.758 7.758 8.160 -0.402 18443 2449 1 4 . 1 1 71 71 ALA N N 71 122.094 122.094 121.806 0.288 18443 2450 1 4 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.922 -0.349 18443 2451 1 4 . 1 1 71 71 ALA C C 71 179.966 179.966 179.311 0.655 18443 2452 1 4 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.245 -0.207 18443 2453 1 4 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.238 -0.819 18443 2454 1 4 . 1 1 71 71 ALA H H 71 8.745 8.745 8.315 0.430 18443 2455 1 4 . 1 1 72 72 ARG N N 72 118.463 118.463 117.978 0.485 18443 2456 1 4 . 1 1 72 72 ARG HA H 72 4.121 4.121 3.981 0.140 18443 2457 1 4 . 1 1 72 72 ARG C C 72 180.905 180.905 178.642 2.263 18443 2458 1 4 . 1 1 72 72 ARG CA C 72 59.524 59.524 59.360 0.164 18443 2459 1 4 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.192 0.110 18443 2460 1 4 . 1 1 72 72 ARG H H 72 7.862 7.862 7.785 0.077 18443 2461 1 4 . 1 1 73 73 ARG N N 73 122.223 122.223 120.142 2.081 18443 2462 1 4 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.002 -0.044 18443 2463 1 4 . 1 1 73 73 ARG C C 73 178.562 178.562 179.163 -0.601 18443 2464 1 4 . 1 1 73 73 ARG CA C 73 59.538 59.538 59.200 0.337 18443 2465 1 4 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.280 -0.089 18443 2466 1 4 . 1 1 73 73 ARG H H 73 8.189 8.189 8.093 0.096 18443 2467 1 4 . 1 1 74 74 TYR N N 74 114.319 114.319 116.351 -2.032 18443 2468 1 4 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.462 -0.061 18443 2469 1 4 . 1 1 74 74 TYR C C 74 174.321 174.321 175.183 -0.862 18443 2470 1 4 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.217 0.567 18443 2471 1 4 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.028 0.236 18443 2472 1 4 . 1 1 74 74 TYR H H 74 8.047 8.047 8.715 -0.668 18443 2473 1 4 . 1 1 75 75 ARG N N 75 119.572 119.572 118.344 1.228 18443 2474 1 4 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.123 -0.254 18443 2475 1 4 . 1 1 75 75 ARG C C 75 175.880 175.880 174.462 1.418 18443 2476 1 4 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.709 0.132 18443 2477 1 4 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.421 -0.913 18443 2478 1 4 . 1 1 75 75 ARG H H 75 7.865 7.865 7.611 0.254 18443 2479 1 4 . 1 1 76 76 VAL N N 76 119.885 119.885 120.929 -1.044 18443 2480 1 4 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.255 -0.464 18443 2481 1 4 . 1 1 76 76 VAL C C 76 176.374 176.374 173.995 2.379 18443 2482 1 4 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.178 1.579 18443 2483 1 4 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.453 -1.540 18443 2484 1 4 . 1 1 76 76 VAL H H 76 8.024 8.024 7.828 0.196 18443 2485 1 4 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.684 -0.287 18443 2486 1 4 . 1 1 77 77 PRO C C 77 175.829 175.829 176.341 -0.512 18443 2487 1 4 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.255 1.208 18443 2488 1 4 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.343 -0.586 18443 2489 1 4 . 1 1 78 78 GLY N N 78 105.453 105.453 111.327 -5.874 18443 2490 1 4 . 1 1 78 78 GLY C C 78 171.794 171.794 173.284 -1.490 18443 2491 1 4 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.846 -1.237 18443 2492 1 4 . 1 1 78 78 GLY H H 78 6.725 6.725 8.495 -1.770 18443 2493 1 4 . 1 1 79 79 THR N N 79 110.056 110.056 116.198 -6.142 18443 2494 1 4 . 1 1 79 79 THR HA H 79 4.886 4.886 4.026 0.860 18443 2495 1 4 . 1 1 79 79 THR CA C 79 57.957 57.957 62.220 -4.263 18443 2496 1 4 . 1 1 79 79 THR CB C 79 70.685 70.685 68.537 2.148 18443 2497 1 4 . 1 1 79 79 THR H H 79 8.771 8.771 8.163 0.608 18443 2498 1 4 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.561 0.518 18443 2499 1 4 . 1 1 80 80 PRO C C 80 176.536 176.536 175.811 0.725 18443 2500 1 4 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.394 0.165 18443 2501 1 4 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.343 3.328 18443 2502 1 4 . 1 1 81 81 THR N N 81 116.755 116.755 118.609 -1.854 18443 2503 1 4 . 1 1 81 81 THR HA H 81 5.425 5.425 5.034 0.391 18443 2504 1 4 . 1 1 81 81 THR C C 81 171.960 171.960 173.349 -1.389 18443 2505 1 4 . 1 1 81 81 THR CA C 81 63.540 63.540 61.986 1.554 18443 2506 1 4 . 1 1 81 81 THR CB C 81 71.840 71.840 71.195 0.645 18443 2507 1 4 . 1 1 81 81 THR H H 81 8.176 8.176 7.848 0.328 18443 2508 1 4 . 1 1 82 82 PHE N N 82 126.263 126.263 127.005 -0.742 18443 2509 1 4 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.322 0.314 18443 2510 1 4 . 1 1 82 82 PHE C C 82 174.738 174.738 174.809 -0.071 18443 2511 1 4 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.057 -0.287 18443 2512 1 4 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.581 0.699 18443 2513 1 4 . 1 1 82 82 PHE H H 82 9.540 9.540 9.474 0.066 18443 2514 1 4 . 1 1 83 83 VAL N N 83 123.703 123.703 123.600 0.103 18443 2515 1 4 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.904 -0.363 18443 2516 1 4 . 1 1 83 83 VAL C C 83 174.159 174.159 175.051 -0.892 18443 2517 1 4 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.219 0.809 18443 2518 1 4 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.343 1.764 18443 2519 1 4 . 1 1 83 83 VAL H H 83 9.208 9.208 8.936 0.272 18443 2520 1 4 . 1 1 84 84 PHE N N 84 126.003 126.003 127.660 -1.657 18443 2521 1 4 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.268 0.542 18443 2522 1 4 . 1 1 84 84 PHE C C 84 175.481 175.481 175.200 0.281 18443 2523 1 4 . 1 1 84 84 PHE CA C 84 57.253 57.253 57.204 0.049 18443 2524 1 4 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.718 1.094 18443 2525 1 4 . 1 1 84 84 PHE H H 84 8.878 8.878 9.313 -0.435 18443 2526 1 4 . 1 1 85 85 LEU N N 85 123.597 123.597 122.520 1.077 18443 2527 1 4 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.440 0.454 18443 2528 1 4 . 1 1 85 85 LEU C C 85 176.528 176.528 175.935 0.593 18443 2529 1 4 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.797 -0.427 18443 2530 1 4 . 1 1 85 85 LEU CB C 85 48.199 48.199 45.339 2.861 18443 2531 1 4 . 1 1 85 85 LEU H H 85 9.604 9.604 9.463 0.141 18443 2532 1 4 . 1 1 86 86 VAL N N 86 118.274 118.274 123.140 -4.866 18443 2533 1 4 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.620 0.598 18443 2534 1 4 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.337 -0.776 18443 2535 1 4 . 1 1 86 86 VAL CB C 86 35.493 35.493 32.763 2.730 18443 2536 1 4 . 1 1 86 86 VAL H H 86 9.457 9.457 9.339 0.118 18443 2537 1 4 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.716 -0.768 18443 2538 1 4 . 1 1 87 87 PRO C C 87 177.132 177.132 175.934 1.198 18443 2539 1 4 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.854 0.509 18443 2540 1 4 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.623 0.035 18443 2541 1 4 . 1 1 88 88 LYS N N 88 124.554 124.554 123.343 1.211 18443 2542 1 4 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.599 -0.320 18443 2543 1 4 . 1 1 88 88 LYS C C 88 175.739 175.739 176.492 -0.753 18443 2544 1 4 . 1 1 88 88 LYS CA C 88 55.650 55.650 54.860 0.790 18443 2545 1 4 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.252 0.446 18443 2546 1 4 . 1 1 88 88 LYS H H 88 8.119 8.119 8.613 -0.494 18443 2547 1 4 . 1 1 89 89 ALA N N 89 130.786 130.786 127.990 2.796 18443 2548 1 4 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.931 0.039 18443 2549 1 4 . 1 1 89 89 ALA C C 89 176.947 176.947 177.560 -0.613 18443 2550 1 4 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.743 -0.553 18443 2551 1 4 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.667 -0.288 18443 2552 1 4 . 1 1 89 89 ALA H H 89 9.128 9.128 8.906 0.222 18443 2553 1 4 . 1 1 90 90 GLY N N 90 106.698 106.698 106.836 -0.138 18443 2554 1 4 . 1 1 90 90 GLY C C 90 173.352 173.352 172.773 0.579 18443 2555 1 4 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.286 0.300 18443 2556 1 4 . 1 1 90 90 GLY H H 90 8.393 8.393 8.396 -0.003 18443 2557 1 4 . 1 1 91 91 ALA N N 91 125.038 125.038 122.447 2.591 18443 2558 1 4 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.646 -0.069 18443 2559 1 4 . 1 1 91 91 ALA C C 91 175.940 175.940 174.644 1.296 18443 2560 1 4 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.803 -0.341 18443 2561 1 4 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.920 -0.268 18443 2562 1 4 . 1 1 91 91 ALA H H 91 7.788 7.788 7.548 0.240 18443 2563 1 4 . 1 1 92 92 TRP N N 92 120.760 120.760 120.650 0.110 18443 2564 1 4 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.015 0.125 18443 2565 1 4 . 1 1 92 92 TRP C C 92 175.960 175.960 176.302 -0.342 18443 2566 1 4 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.250 0.601 18443 2567 1 4 . 1 1 92 92 TRP CB C 92 32.673 32.673 30.858 1.815 18443 2568 1 4 . 1 1 92 92 TRP H H 92 8.235 8.235 8.488 -0.253 18443 2569 1 4 . 1 1 93 93 GLU N N 93 124.341 124.341 125.257 -0.916 18443 2570 1 4 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.692 0.169 18443 2571 1 4 . 1 1 93 93 GLU C C 93 175.515 175.515 175.460 0.055 18443 2572 1 4 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.778 0.001 18443 2573 1 4 . 1 1 93 93 GLU CB C 93 33.192 33.192 32.845 0.347 18443 2574 1 4 . 1 1 93 93 GLU H H 93 9.264 9.264 9.173 0.091 18443 2575 1 4 . 1 1 94 94 GLU N N 94 126.987 126.987 129.908 -2.921 18443 2576 1 4 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.532 0.665 18443 2577 1 4 . 1 1 94 94 GLU C C 94 177.604 177.604 176.485 1.119 18443 2578 1 4 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.103 -0.499 18443 2579 1 4 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.306 0.772 18443 2580 1 4 . 1 1 94 94 GLU H H 94 9.123 9.123 9.207 -0.084 18443 2581 1 4 . 1 1 95 95 VAL N N 95 122.004 122.004 127.126 -5.122 18443 2582 1 4 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.550 0.142 18443 2583 1 4 . 1 1 95 95 VAL C C 95 175.719 175.719 175.589 0.130 18443 2584 1 4 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.346 -1.011 18443 2585 1 4 . 1 1 95 95 VAL CB C 95 33.265 33.265 33.342 -0.077 18443 2586 1 4 . 1 1 95 95 VAL H H 95 9.099 9.099 8.635 0.464 18443 2587 1 4 . 1 1 96 96 GLY N N 96 107.961 107.961 106.942 1.019 18443 2588 1 4 . 1 1 96 96 GLY C C 96 171.052 171.052 171.685 -0.633 18443 2589 1 4 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.459 0.653 18443 2590 1 4 . 1 1 96 96 GLY H H 96 7.754 7.754 7.579 0.175 18443 2591 1 4 . 1 1 97 97 ARG N N 97 117.467 117.467 121.961 -4.494 18443 2592 1 4 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.571 0.106 18443 2593 1 4 . 1 1 97 97 ARG C C 97 174.403 174.403 175.624 -1.221 18443 2594 1 4 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.124 0.501 18443 2595 1 4 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.038 1.276 18443 2596 1 4 . 1 1 97 97 ARG H H 97 8.489 8.489 8.423 0.066 18443 2597 1 4 . 1 1 98 98 LEU N N 98 122.922 122.922 125.382 -2.460 18443 2598 1 4 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.891 0.034 18443 2599 1 4 . 1 1 98 98 LEU C C 98 174.871 174.871 175.174 -0.303 18443 2600 1 4 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.094 -0.123 18443 2601 1 4 . 1 1 98 98 LEU CB C 98 46.542 46.542 45.101 1.441 18443 2602 1 4 . 1 1 98 98 LEU H H 98 9.504 9.504 9.373 0.131 18443 2603 1 4 . 1 1 99 99 PHE N N 99 124.212 124.212 122.929 1.283 18443 2604 1 4 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.426 0.222 18443 2605 1 4 . 1 1 99 99 PHE CA C 99 55.751 55.751 57.154 -1.403 18443 2606 1 4 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.678 -1.446 18443 2607 1 4 . 1 1 99 99 PHE H H 99 9.146 9.146 8.815 0.331 18443 2608 1 4 . 1 1 100 100 GLY N N 100 116.438 116.438 114.905 1.533 18443 2609 1 4 . 1 1 100 100 GLY C C 100 173.343 173.343 174.189 -0.846 18443 2610 1 4 . 1 1 100 100 GLY CA C 100 43.436 43.436 45.018 -1.582 18443 2611 1 4 . 1 1 100 100 GLY H H 100 8.464 8.464 7.934 0.530 18443 2612 1 4 . 1 1 101 101 SER N N 101 112.597 112.597 113.168 -0.571 18443 2613 1 4 . 1 1 101 101 SER HA H 101 4.616 4.616 4.535 0.081 18443 2614 1 4 . 1 1 101 101 SER C C 101 175.075 175.075 172.824 2.251 18443 2615 1 4 . 1 1 101 101 SER CA C 101 58.288 58.288 59.831 -1.543 18443 2616 1 4 . 1 1 101 101 SER CB C 101 64.305 64.305 64.025 0.280 18443 2617 1 4 . 1 1 101 101 SER H H 101 8.366 8.366 8.259 0.107 18443 2618 1 4 . 1 1 102 102 ARG N N 102 119.662 119.662 120.544 -0.882 18443 2619 1 4 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.723 0.208 18443 2620 1 4 . 1 1 102 102 ARG CA C 102 52.820 52.820 53.463 -0.643 18443 2621 1 4 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.946 0.496 18443 2622 1 4 . 1 1 102 102 ARG H H 102 7.767 7.767 8.489 -0.722 18443 2623 1 4 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.580 -0.029 18443 2624 1 4 . 1 1 103 103 PRO C C 103 177.345 177.345 177.489 -0.144 18443 2625 1 4 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.617 -0.541 18443 2626 1 4 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.468 0.400 18443 2627 1 4 . 1 1 104 104 ARG N N 104 121.205 121.205 123.775 -2.570 18443 2628 1 4 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.992 -0.060 18443 2629 1 4 . 1 1 104 104 ARG C C 104 177.368 177.368 177.980 -0.612 18443 2630 1 4 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.590 1.321 18443 2631 1 4 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.432 0.732 18443 2632 1 4 . 1 1 104 104 ARG H H 104 8.986 8.986 8.791 0.195 18443 2633 1 4 . 1 1 105 105 ALA N N 105 119.508 119.508 121.254 -1.746 18443 2634 1 4 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.182 -0.073 18443 2635 1 4 . 1 1 105 105 ALA C C 105 181.065 181.065 179.996 1.069 18443 2636 1 4 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.770 0.975 18443 2637 1 4 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.919 0.377 18443 2638 1 4 . 1 1 105 105 ALA H H 105 9.033 9.033 8.584 0.449 18443 2639 1 4 . 1 1 106 106 GLU N N 106 117.537 117.537 119.222 -1.685 18443 2640 1 4 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.146 -0.017 18443 2641 1 4 . 1 1 106 106 GLU C C 106 178.041 178.041 178.733 -0.692 18443 2642 1 4 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.984 -0.191 18443 2643 1 4 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.888 0.346 18443 2644 1 4 . 1 1 106 106 GLU H H 106 7.201 7.201 7.853 -0.652 18443 2645 1 4 . 1 1 107 107 PHE N N 107 120.721 120.721 121.786 -1.065 18443 2646 1 4 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.127 0.057 18443 2647 1 4 . 1 1 107 107 PHE C C 107 177.235 177.235 177.456 -0.221 18443 2648 1 4 . 1 1 107 107 PHE CA C 107 61.743 61.743 62.238 -0.495 18443 2649 1 4 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.219 0.864 18443 2650 1 4 . 1 1 107 107 PHE H H 107 8.555 8.555 8.751 -0.196 18443 2651 1 4 . 1 1 108 108 LEU N N 108 117.219 117.219 119.239 -2.020 18443 2652 1 4 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.812 0.019 18443 2653 1 4 . 1 1 108 108 LEU C C 108 178.406 178.406 178.791 -0.385 18443 2654 1 4 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.076 0.408 18443 2655 1 4 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.357 0.795 18443 2656 1 4 . 1 1 108 108 LEU H H 108 8.364 8.364 8.611 -0.247 18443 2657 1 4 . 1 1 109 109 LYS N N 109 118.680 118.680 119.606 -0.926 18443 2658 1 4 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.841 0.060 18443 2659 1 4 . 1 1 109 109 LYS C C 109 179.696 179.696 179.053 0.643 18443 2660 1 4 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.879 0.303 18443 2661 1 4 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.109 0.157 18443 2662 1 4 . 1 1 109 109 LYS H H 109 7.330 7.330 7.606 -0.276 18443 2663 1 4 . 1 1 110 110 GLU N N 110 119.802 119.802 118.599 1.203 18443 2664 1 4 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.940 0.021 18443 2665 1 4 . 1 1 110 110 GLU C C 110 179.903 179.903 178.983 0.920 18443 2666 1 4 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.711 0.413 18443 2667 1 4 . 1 1 110 110 GLU CB C 110 28.772 28.772 28.943 -0.171 18443 2668 1 4 . 1 1 110 110 GLU H H 110 8.077 8.077 8.225 -0.148 18443 2669 1 4 . 1 1 111 111 LEU N N 111 120.129 120.129 118.162 1.967 18443 2670 1 4 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.840 -0.308 18443 2671 1 4 . 1 1 111 111 LEU C C 111 179.792 179.792 179.185 0.607 18443 2672 1 4 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.091 0.343 18443 2673 1 4 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.333 1.395 18443 2674 1 4 . 1 1 111 111 LEU H H 111 8.341 8.341 8.319 0.022 18443 2675 1 4 . 1 1 112 112 ARG N N 112 118.350 118.350 119.832 -1.482 18443 2676 1 4 . 1 1 112 112 ARG HA H 112 3.896 3.896 4.262 -0.366 18443 2677 1 4 . 1 1 112 112 ARG C C 112 179.446 179.446 179.365 0.081 18443 2678 1 4 . 1 1 112 112 ARG CA C 112 60.323 60.323 57.834 2.489 18443 2679 1 4 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.591 0.287 18443 2680 1 4 . 1 1 112 112 ARG H H 112 8.166 8.166 7.712 0.454 18443 2681 1 4 . 1 1 113 113 GLN N N 113 118.358 118.358 120.016 -1.658 18443 2682 1 4 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.010 0.083 18443 2683 1 4 . 1 1 113 113 GLN C C 113 179.137 179.137 178.586 0.551 18443 2684 1 4 . 1 1 113 113 GLN CA C 113 58.831 58.831 59.484 -0.653 18443 2685 1 4 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.555 -0.085 18443 2686 1 4 . 1 1 113 113 GLN H H 113 7.842 7.842 8.224 -0.382 18443 2687 1 4 . 1 1 114 114 VAL N N 114 120.174 120.174 118.910 1.264 18443 2688 1 4 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.784 -0.133 18443 2689 1 4 . 1 1 114 114 VAL C C 114 177.853 177.853 177.581 0.272 18443 2690 1 4 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.666 -0.603 18443 2691 1 4 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.640 -0.401 18443 2692 1 4 . 1 1 114 114 VAL H H 114 7.947 7.947 8.413 -0.466 18443 2693 1 4 . 1 1 115 115 CYS N N 115 117.549 117.549 118.513 -0.964 18443 2694 1 4 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.291 -0.211 18443 2695 1 4 . 1 1 115 115 CYS C C 115 177.204 177.204 176.921 0.283 18443 2696 1 4 . 1 1 115 115 CYS CA C 115 63.574 63.574 61.077 2.497 18443 2697 1 4 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.214 0.543 18443 2698 1 4 . 1 1 115 115 CYS H H 115 7.801 7.801 7.682 0.119 18443 2699 1 4 . 1 1 116 116 VAL N N 116 119.053 119.053 122.352 -3.299 18443 2700 1 4 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.666 0.187 18443 2701 1 4 . 1 1 116 116 VAL C C 116 178.840 178.840 177.781 1.059 18443 2702 1 4 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.516 -1.074 18443 2703 1 4 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.477 0.431 18443 2704 1 4 . 1 1 116 116 VAL H H 116 7.465 7.465 7.920 -0.455 18443 2705 1 4 . 1 1 117 117 LYS N N 117 121.003 121.003 119.638 1.365 18443 2706 1 4 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.109 0.067 18443 2707 1 4 . 1 1 117 117 LYS C C 117 178.689 178.689 178.920 -0.231 18443 2708 1 4 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.170 -0.615 18443 2709 1 4 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.829 0.888 18443 2710 1 4 . 1 1 117 117 LYS H H 117 7.915 7.915 7.663 0.252 18443 2711 1 4 . 1 1 118 118 GLY N N 118 106.132 106.132 105.376 0.756 18443 2712 1 4 . 1 1 118 118 GLY C C 118 174.909 174.909 174.703 0.206 18443 2713 1 4 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.508 -0.544 18443 2714 1 4 . 1 1 118 118 GLY H H 118 8.472 8.472 7.891 0.581 18443 2715 1 4 . 1 1 119 119 GLY N N 119 107.977 107.977 107.107 0.870 18443 2716 1 4 . 1 1 119 119 GLY C C 119 174.631 174.631 174.269 0.362 18443 2717 1 4 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.343 0.623 18443 2718 1 4 . 1 1 119 119 GLY H H 119 7.791 7.791 7.580 0.211 18443 2719 1 4 . 1 1 120 120 ALA N N 120 123.981 123.981 124.567 -0.586 18443 2720 1 4 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.693 -0.280 18443 2721 1 4 . 1 1 120 120 ALA C C 120 178.143 178.143 176.651 1.492 18443 2722 1 4 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.233 1.583 18443 2723 1 4 . 1 1 120 120 ALA CB C 120 19.102 19.102 18.602 0.500 18443 2724 1 4 . 1 1 120 120 ALA H H 120 8.171 8.171 7.819 0.352 18443 2725 1 4 . 1 1 121 121 CYS N N 121 117.342 117.342 118.190 -0.848 18443 2726 1 4 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.363 0.147 18443 2727 1 4 . 1 1 121 121 CYS C C 121 175.318 175.318 176.605 -1.287 18443 2728 1 4 . 1 1 121 121 CYS CA C 121 58.974 58.974 58.990 -0.017 18443 2729 1 4 . 1 1 121 121 CYS CB C 121 28.109 28.109 26.091 2.018 18443 2730 1 4 . 1 1 121 121 CYS H H 121 8.200 8.200 7.822 0.378 18443 2731 1 4 . 1 1 122 122 GLY N N 122 110.351 110.351 115.935 -5.584 18443 2732 1 4 . 1 1 122 122 GLY C C 122 174.299 174.299 174.957 -0.658 18443 2733 1 4 . 1 1 122 122 GLY CA C 122 45.525 45.525 46.058 -0.533 18443 2734 1 4 . 1 1 122 122 GLY H H 122 8.367 8.367 8.667 -0.300 18443 2735 1 4 . 1 1 123 123 GLU N N 123 120.589 120.589 121.233 -0.644 18443 2736 1 4 . 1 1 123 123 GLU HA H 123 4.307 4.307 3.742 0.565 18443 2737 1 4 . 1 1 123 123 GLU C C 123 177.296 177.296 176.527 0.769 18443 2738 1 4 . 1 1 123 123 GLU CA C 123 56.830 56.830 58.392 -1.562 18443 2739 1 4 . 1 1 123 123 GLU CB C 123 30.461 30.461 28.498 1.963 18443 2740 1 4 . 1 1 123 123 GLU H H 123 8.280 8.280 8.321 -0.041 18443 2741 1 4 . 1 1 124 124 GLY N N 124 109.521 109.521 106.195 3.326 18443 2742 1 4 . 1 1 124 124 GLY C C 124 174.189 174.189 174.464 -0.275 18443 2743 1 4 . 1 1 124 124 GLY CA C 124 45.540 45.540 44.861 0.679 18443 2744 1 4 . 1 1 124 124 GLY H H 124 8.465 8.465 8.195 0.270 18443 2745 1 4 . 1 1 125 125 HIS N N 125 118.418 118.418 120.267 -1.849 18443 2746 1 4 . 1 1 125 125 HIS CA C 125 55.971 55.971 55.067 0.904 18443 2747 1 4 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.267 -0.194 18443 2748 1 4 . 1 1 125 125 HIS H H 125 8.244 8.244 8.020 0.224 18443 2749 1 5 . 1 1 2 2 SER HA H 2 4.050 4.050 4.222 -0.172 18443 2750 1 5 . 1 1 2 2 SER CA C 2 57.351 57.351 58.984 -1.633 18443 2751 1 5 . 1 1 2 2 SER CB C 2 63.259 63.259 63.741 -0.482 18443 2752 1 5 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.264 0.038 18443 2753 1 5 . 1 1 3 3 LEU C C 3 175.706 175.706 176.354 -0.648 18443 2754 1 5 . 1 1 3 3 LEU CA C 3 55.286 55.286 56.032 -0.746 18443 2755 1 5 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.571 0.349 18443 2756 1 5 . 1 1 4 4 ARG N N 4 127.222 127.222 128.046 -0.824 18443 2757 1 5 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.352 -0.034 18443 2758 1 5 . 1 1 4 4 ARG C C 4 173.862 173.862 174.424 -0.562 18443 2759 1 5 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.714 0.266 18443 2760 1 5 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.918 1.409 18443 2761 1 5 . 1 1 4 4 ARG H H 4 8.502 8.502 8.734 -0.232 18443 2762 1 5 . 1 1 5 5 TRP N N 5 123.052 123.052 126.248 -3.196 18443 2763 1 5 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.145 -0.145 18443 2764 1 5 . 1 1 5 5 TRP C C 5 176.309 176.309 176.271 0.038 18443 2765 1 5 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.945 -1.264 18443 2766 1 5 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.625 1.265 18443 2767 1 5 . 1 1 5 5 TRP H H 5 8.184 8.184 8.527 -0.343 18443 2768 1 5 . 1 1 6 6 TYR N N 6 120.957 120.957 123.913 -2.956 18443 2769 1 5 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.999 -0.020 18443 2770 1 5 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.874 1.310 18443 2771 1 5 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.309 1.028 18443 2772 1 5 . 1 1 6 6 TYR H H 6 8.818 8.818 9.185 -0.367 18443 2773 1 5 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.678 0.232 18443 2774 1 5 . 1 1 7 7 PRO C C 7 177.869 177.869 177.497 0.372 18443 2775 1 5 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.436 0.142 18443 2776 1 5 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.715 0.230 18443 2777 1 5 . 1 1 8 8 TYR N N 8 122.256 122.256 123.881 -1.625 18443 2778 1 5 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.058 -0.015 18443 2779 1 5 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.322 -0.247 18443 2780 1 5 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.125 0.729 18443 2781 1 5 . 1 1 8 8 TYR H H 8 9.408 9.408 9.214 0.194 18443 2782 1 5 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.072 -0.030 18443 2783 1 5 . 1 1 9 9 PRO C C 9 180.472 180.472 179.085 1.387 18443 2784 1 5 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.281 0.105 18443 2785 1 5 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.101 -0.575 18443 2786 1 5 . 1 1 10 10 GLU N N 10 118.047 118.047 118.117 -0.070 18443 2787 1 5 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.009 0.045 18443 2788 1 5 . 1 1 10 10 GLU C C 10 178.293 178.293 178.305 -0.012 18443 2789 1 5 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.867 0.162 18443 2790 1 5 . 1 1 10 10 GLU CB C 10 30.309 30.309 28.985 1.324 18443 2791 1 5 . 1 1 10 10 GLU H H 10 7.093 7.093 7.833 -0.740 18443 2792 1 5 . 1 1 11 11 ALA N N 11 121.740 121.740 122.638 -0.898 18443 2793 1 5 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.014 -0.393 18443 2794 1 5 . 1 1 11 11 ALA C C 11 178.890 178.890 179.872 -0.982 18443 2795 1 5 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.319 -0.800 18443 2796 1 5 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.268 0.777 18443 2797 1 5 . 1 1 11 11 ALA H H 11 8.447 8.447 8.554 -0.107 18443 2798 1 5 . 1 1 12 12 LEU N N 12 115.622 115.622 118.068 -2.446 18443 2799 1 5 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.801 -0.350 18443 2800 1 5 . 1 1 12 12 LEU C C 12 179.331 179.331 179.047 0.284 18443 2801 1 5 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.505 1.018 18443 2802 1 5 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.978 -0.533 18443 2803 1 5 . 1 1 12 12 LEU H H 12 7.354 7.354 7.689 -0.335 18443 2804 1 5 . 1 1 13 13 ALA N N 13 120.240 120.240 123.383 -3.143 18443 2805 1 5 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.161 0.014 18443 2806 1 5 . 1 1 13 13 ALA C C 13 181.630 181.630 179.832 1.798 18443 2807 1 5 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.255 0.070 18443 2808 1 5 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.245 -0.090 18443 2809 1 5 . 1 1 13 13 ALA H H 13 7.201 7.201 7.694 -0.493 18443 2810 1 5 . 1 1 14 14 LEU N N 14 120.757 120.757 120.339 0.418 18443 2811 1 5 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.004 0.083 18443 2812 1 5 . 1 1 14 14 LEU C C 14 179.635 179.635 179.293 0.342 18443 2813 1 5 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.523 0.165 18443 2814 1 5 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.727 2.065 18443 2815 1 5 . 1 1 14 14 LEU H H 14 8.202 8.202 8.647 -0.445 18443 2816 1 5 . 1 1 15 15 ALA N N 15 121.483 121.483 120.537 0.946 18443 2817 1 5 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.997 -0.123 18443 2818 1 5 . 1 1 15 15 ALA C C 15 180.839 180.839 179.866 0.973 18443 2819 1 5 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.122 1.126 18443 2820 1 5 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.461 1.175 18443 2821 1 5 . 1 1 15 15 ALA H H 15 8.594 8.594 8.052 0.542 18443 2822 1 5 . 1 1 16 16 GLN N N 16 117.131 117.131 120.831 -3.700 18443 2823 1 5 . 1 1 16 16 GLN HA H 16 3.969 3.969 3.958 0.011 18443 2824 1 5 . 1 1 16 16 GLN C C 16 178.701 178.701 178.707 -0.006 18443 2825 1 5 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.578 0.575 18443 2826 1 5 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.558 0.321 18443 2827 1 5 . 1 1 16 16 GLN H H 16 8.609 8.609 8.795 -0.186 18443 2828 1 5 . 1 1 17 17 ALA N N 17 120.088 120.088 120.498 -0.410 18443 2829 1 5 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.255 -0.136 18443 2830 1 5 . 1 1 17 17 ALA C C 17 179.305 179.305 178.172 1.133 18443 2831 1 5 . 1 1 17 17 ALA CA C 17 54.619 54.619 54.021 0.598 18443 2832 1 5 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.684 -0.421 18443 2833 1 5 . 1 1 17 17 ALA H H 17 7.635 7.635 8.338 -0.703 18443 2834 1 5 . 1 1 18 18 HIS N N 18 111.636 111.636 114.697 -3.061 18443 2835 1 5 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.678 0.134 18443 2836 1 5 . 1 1 18 18 HIS C C 18 175.021 175.021 175.564 -0.543 18443 2837 1 5 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.362 0.175 18443 2838 1 5 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.214 -0.003 18443 2839 1 5 . 1 1 18 18 HIS H H 18 7.728 7.728 7.519 0.209 18443 2840 1 5 . 1 1 19 19 GLY N N 19 111.899 111.899 108.802 3.097 18443 2841 1 5 . 1 1 19 19 GLY C C 19 175.071 175.071 174.228 0.843 18443 2842 1 5 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.635 2.020 18443 2843 1 5 . 1 1 19 19 GLY H H 19 7.886 7.886 8.062 -0.176 18443 2844 1 5 . 1 1 20 20 ARG N N 20 118.442 118.442 119.010 -0.568 18443 2845 1 5 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.528 0.083 18443 2846 1 5 . 1 1 20 20 ARG C C 20 174.586 174.586 175.471 -0.885 18443 2847 1 5 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.729 0.783 18443 2848 1 5 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.506 1.769 18443 2849 1 5 . 1 1 20 20 ARG H H 20 8.239 8.239 8.209 0.030 18443 2850 1 5 . 1 1 21 21 MET N N 21 115.457 115.457 117.977 -2.520 18443 2851 1 5 . 1 1 21 21 MET HA H 21 4.870 4.870 4.707 0.163 18443 2852 1 5 . 1 1 21 21 MET C C 21 175.707 175.707 175.198 0.509 18443 2853 1 5 . 1 1 21 21 MET CA C 21 56.111 56.111 55.123 0.988 18443 2854 1 5 . 1 1 21 21 MET CB C 21 35.717 35.717 35.444 0.273 18443 2855 1 5 . 1 1 21 21 MET H H 21 7.193 7.193 8.734 -1.541 18443 2856 1 5 . 1 1 22 22 VAL N N 22 119.607 119.607 121.024 -1.417 18443 2857 1 5 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.752 0.558 18443 2858 1 5 . 1 1 22 22 VAL C C 22 176.506 176.506 174.825 1.681 18443 2859 1 5 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.229 -0.800 18443 2860 1 5 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.476 3.182 18443 2861 1 5 . 1 1 22 22 VAL H H 22 9.034 9.034 9.242 -0.208 18443 2862 1 5 . 1 1 23 23 MET N N 23 126.309 126.309 130.232 -3.923 18443 2863 1 5 . 1 1 23 23 MET HA H 23 4.878 4.878 4.905 -0.027 18443 2864 1 5 . 1 1 23 23 MET C C 23 173.960 173.960 174.010 -0.050 18443 2865 1 5 . 1 1 23 23 MET CA C 23 54.184 54.184 53.058 1.126 18443 2866 1 5 . 1 1 23 23 MET CB C 23 36.920 36.920 33.273 3.647 18443 2867 1 5 . 1 1 23 23 MET H H 23 8.704 8.704 9.291 -0.587 18443 2868 1 5 . 1 1 24 24 VAL N N 24 128.959 128.959 129.631 -0.672 18443 2869 1 5 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.135 0.203 18443 2870 1 5 . 1 1 24 24 VAL C C 24 174.245 174.245 173.962 0.283 18443 2871 1 5 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.159 -0.406 18443 2872 1 5 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.205 0.616 18443 2873 1 5 . 1 1 24 24 VAL H H 24 9.908 9.908 9.182 0.726 18443 2874 1 5 . 1 1 25 25 TYR N N 25 129.726 129.726 130.296 -0.570 18443 2875 1 5 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.143 0.084 18443 2876 1 5 . 1 1 25 25 TYR C C 25 173.393 173.393 173.787 -0.394 18443 2877 1 5 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.418 -2.335 18443 2878 1 5 . 1 1 25 25 TYR CB C 25 39.518 39.518 40.092 -0.574 18443 2879 1 5 . 1 1 25 25 TYR H H 25 9.031 9.031 8.431 0.600 18443 2880 1 5 . 1 1 26 26 PHE N N 26 126.719 126.719 127.303 -0.584 18443 2881 1 5 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.556 0.539 18443 2882 1 5 . 1 1 26 26 PHE C C 26 174.151 174.151 174.914 -0.763 18443 2883 1 5 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.506 -0.068 18443 2884 1 5 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.556 1.068 18443 2885 1 5 . 1 1 26 26 PHE H H 26 9.162 9.162 8.941 0.221 18443 2886 1 5 . 1 1 27 27 HIS N N 27 118.311 118.311 120.413 -2.102 18443 2887 1 5 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.959 0.203 18443 2888 1 5 . 1 1 27 27 HIS C C 27 173.044 173.044 174.120 -1.076 18443 2889 1 5 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.325 0.135 18443 2890 1 5 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.897 2.191 18443 2891 1 5 . 1 1 27 27 HIS H H 27 8.168 8.168 8.750 -0.582 18443 2892 1 5 . 1 1 28 28 SER N N 28 112.150 112.150 114.787 -2.637 18443 2893 1 5 . 1 1 28 28 SER HA H 28 4.790 4.790 5.301 -0.511 18443 2894 1 5 . 1 1 28 28 SER C C 28 176.815 176.815 174.408 2.407 18443 2895 1 5 . 1 1 28 28 SER CA C 28 56.260 56.260 56.772 -0.512 18443 2896 1 5 . 1 1 28 28 SER CB C 28 65.470 65.470 66.904 -1.434 18443 2897 1 5 . 1 1 28 28 SER H H 28 7.545 7.545 8.834 -1.289 18443 2898 1 5 . 1 1 29 29 GLU N N 29 130.603 130.603 124.717 5.886 18443 2899 1 5 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.084 0.016 18443 2900 1 5 . 1 1 29 29 GLU C C 29 176.980 176.980 177.646 -0.666 18443 2901 1 5 . 1 1 29 29 GLU CA C 29 58.670 58.670 59.130 -0.460 18443 2902 1 5 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.891 -0.252 18443 2903 1 5 . 1 1 29 29 GLU H H 29 9.681 9.681 9.687 -0.006 18443 2904 1 5 . 1 1 30 30 HIS N N 30 114.752 114.752 118.640 -3.888 18443 2905 1 5 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.640 0.054 18443 2906 1 5 . 1 1 30 30 HIS C C 30 173.679 173.679 174.716 -1.037 18443 2907 1 5 . 1 1 30 30 HIS CA C 30 54.393 54.393 54.980 -0.587 18443 2908 1 5 . 1 1 30 30 HIS CB C 30 29.372 29.372 28.581 0.791 18443 2909 1 5 . 1 1 30 30 HIS H H 30 8.226 8.226 8.492 -0.266 18443 2910 1 5 . 1 1 31 31 CYS N N 31 124.685 124.685 118.626 6.059 18443 2911 1 5 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.646 0.300 18443 2912 1 5 . 1 1 31 31 CYS C C 31 175.771 175.771 174.458 1.313 18443 2913 1 5 . 1 1 31 31 CYS CA C 31 56.116 56.116 55.763 0.353 18443 2914 1 5 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.046 4.369 18443 2915 1 5 . 1 1 31 31 CYS H H 31 7.091 7.091 7.449 -0.358 18443 2916 1 5 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.342 -0.008 18443 2917 1 5 . 1 1 32 32 PRO C C 32 179.352 179.352 177.383 1.969 18443 2918 1 5 . 1 1 32 32 PRO CA C 32 64.193 64.193 64.803 -0.610 18443 2919 1 5 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.007 0.065 18443 2920 1 5 . 1 1 33 33 TYR N N 33 125.092 125.092 118.343 6.749 18443 2921 1 5 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.442 0.053 18443 2922 1 5 . 1 1 33 33 TYR C C 33 179.457 179.457 177.533 1.924 18443 2923 1 5 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.138 0.742 18443 2924 1 5 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.749 -0.404 18443 2925 1 5 . 1 1 33 33 TYR H H 33 8.621 8.621 8.462 0.159 18443 2926 1 5 . 1 1 34 34 CYS N N 34 127.272 127.272 120.327 6.945 18443 2927 1 5 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.087 0.248 18443 2928 1 5 . 1 1 34 34 CYS C C 34 176.672 176.672 176.223 0.449 18443 2929 1 5 . 1 1 34 34 CYS CA C 34 64.159 64.159 62.113 2.046 18443 2930 1 5 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.311 1.566 18443 2931 1 5 . 1 1 34 34 CYS H H 34 9.440 9.440 8.759 0.681 18443 2932 1 5 . 1 1 35 35 GLN N N 35 118.373 118.373 118.997 -0.624 18443 2933 1 5 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.880 0.179 18443 2934 1 5 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.729 0.645 18443 2935 1 5 . 1 1 35 35 GLN CB C 35 27.576 27.576 26.648 0.928 18443 2936 1 5 . 1 1 35 35 GLN H H 35 7.866 7.866 8.279 -0.413 18443 2937 1 5 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.175 0.071 18443 2938 1 5 . 1 1 36 36 GLN C C 36 178.881 178.881 178.093 0.788 18443 2939 1 5 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.398 1.228 18443 2940 1 5 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.855 -0.250 18443 2941 1 5 . 1 1 37 37 MET N N 37 117.759 117.759 117.145 0.614 18443 2942 1 5 . 1 1 37 37 MET HA H 37 4.488 4.488 4.263 0.225 18443 2943 1 5 . 1 1 37 37 MET C C 37 179.838 179.838 178.252 1.586 18443 2944 1 5 . 1 1 37 37 MET CA C 37 57.229 57.229 59.112 -1.883 18443 2945 1 5 . 1 1 37 37 MET CB C 37 29.983 29.983 32.064 -2.081 18443 2946 1 5 . 1 1 37 37 MET H H 37 8.125 8.125 7.443 0.682 18443 2947 1 5 . 1 1 38 38 ASN N N 38 122.249 122.249 117.866 4.383 18443 2948 1 5 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.346 0.016 18443 2949 1 5 . 1 1 38 38 ASN C C 38 177.355 177.355 176.529 0.826 18443 2950 1 5 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.394 0.041 18443 2951 1 5 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.597 -1.085 18443 2952 1 5 . 1 1 38 38 ASN H H 38 9.245 9.245 8.818 0.427 18443 2953 1 5 . 1 1 39 39 THR N N 39 113.554 113.554 114.990 -1.436 18443 2954 1 5 . 1 1 39 39 THR HA H 39 3.853 3.853 4.026 -0.172 18443 2955 1 5 . 1 1 39 39 THR C C 39 176.277 176.277 175.724 0.553 18443 2956 1 5 . 1 1 39 39 THR CA C 39 65.843 65.843 65.535 0.308 18443 2957 1 5 . 1 1 39 39 THR CB C 39 69.595 69.595 69.069 0.526 18443 2958 1 5 . 1 1 39 39 THR H H 39 8.034 8.034 7.316 0.718 18443 2959 1 5 . 1 1 40 40 PHE N N 40 116.394 116.394 120.386 -3.992 18443 2960 1 5 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.424 0.396 18443 2961 1 5 . 1 1 40 40 PHE C C 40 176.255 176.255 177.495 -1.240 18443 2962 1 5 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.852 -2.137 18443 2963 1 5 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.675 2.210 18443 2964 1 5 . 1 1 40 40 PHE H H 40 8.309 8.309 8.600 -0.291 18443 2965 1 5 . 1 1 41 41 VAL N N 41 117.246 117.246 118.525 -1.279 18443 2966 1 5 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.754 0.552 18443 2967 1 5 . 1 1 41 41 VAL C C 41 176.704 176.704 178.127 -1.423 18443 2968 1 5 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.535 -0.696 18443 2969 1 5 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.699 1.940 18443 2970 1 5 . 1 1 41 41 VAL H H 41 7.678 7.678 7.944 -0.266 18443 2971 1 5 . 1 1 42 42 LEU N N 42 117.179 117.179 117.620 -0.441 18443 2972 1 5 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.126 -0.178 18443 2973 1 5 . 1 1 42 42 LEU C C 42 175.837 175.837 177.028 -1.191 18443 2974 1 5 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.289 1.007 18443 2975 1 5 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.212 -1.097 18443 2976 1 5 . 1 1 42 42 LEU H H 42 8.882 8.882 8.389 0.493 18443 2977 1 5 . 1 1 43 43 SER N N 43 105.494 105.494 111.703 -6.209 18443 2978 1 5 . 1 1 43 43 SER HA H 43 4.408 4.408 4.441 -0.033 18443 2979 1 5 . 1 1 43 43 SER C C 43 175.397 175.397 173.878 1.519 18443 2980 1 5 . 1 1 43 43 SER CA C 43 57.144 57.144 58.985 -1.841 18443 2981 1 5 . 1 1 43 43 SER CB C 43 64.117 64.117 64.023 0.094 18443 2982 1 5 . 1 1 43 43 SER H H 43 6.785 6.785 7.301 -0.516 18443 2983 1 5 . 1 1 44 44 ASP N N 44 126.617 126.617 124.504 2.113 18443 2984 1 5 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.589 0.222 18443 2985 1 5 . 1 1 44 44 ASP C C 44 175.644 175.644 175.781 -0.137 18443 2986 1 5 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.677 -1.004 18443 2987 1 5 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.427 1.246 18443 2988 1 5 . 1 1 44 44 ASP H H 44 7.443 7.443 7.264 0.179 18443 2989 1 5 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.292 0.060 18443 2990 1 5 . 1 1 45 45 PRO C C 45 178.792 178.792 178.051 0.741 18443 2991 1 5 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.108 0.651 18443 2992 1 5 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.005 0.334 18443 2993 1 5 . 1 1 46 46 GLY N N 46 107.270 107.270 104.901 2.369 18443 2994 1 5 . 1 1 46 46 GLY C C 46 176.799 176.799 176.198 0.601 18443 2995 1 5 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.468 0.560 18443 2996 1 5 . 1 1 46 46 GLY H H 46 8.161 8.161 8.815 -0.654 18443 2997 1 5 . 1 1 47 47 VAL N N 47 124.473 124.473 121.911 2.562 18443 2998 1 5 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.856 -0.261 18443 2999 1 5 . 1 1 47 47 VAL C C 47 177.886 177.886 177.688 0.198 18443 3000 1 5 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.035 1.465 18443 3001 1 5 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.359 1.066 18443 3002 1 5 . 1 1 47 47 VAL H H 47 8.344 8.344 7.805 0.539 18443 3003 1 5 . 1 1 48 48 SER N N 48 113.807 113.807 116.281 -2.474 18443 3004 1 5 . 1 1 48 48 SER HA H 48 4.053 4.053 4.206 -0.153 18443 3005 1 5 . 1 1 48 48 SER C C 48 176.889 176.889 176.143 0.746 18443 3006 1 5 . 1 1 48 48 SER CA C 48 62.777 62.777 62.635 0.142 18443 3007 1 5 . 1 1 48 48 SER CB C 48 62.884 62.884 63.041 -0.157 18443 3008 1 5 . 1 1 48 48 SER H H 48 9.023 9.023 8.825 0.198 18443 3009 1 5 . 1 1 49 49 ARG N N 49 119.875 119.875 121.057 -1.182 18443 3010 1 5 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.165 -0.001 18443 3011 1 5 . 1 1 49 49 ARG C C 49 179.398 179.398 178.038 1.360 18443 3012 1 5 . 1 1 49 49 ARG CA C 49 59.558 59.558 58.725 0.833 18443 3013 1 5 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.629 0.618 18443 3014 1 5 . 1 1 49 49 ARG H H 49 8.081 8.081 8.093 -0.012 18443 3015 1 5 . 1 1 50 50 LEU N N 50 121.717 121.717 119.909 1.808 18443 3016 1 5 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.142 0.237 18443 3017 1 5 . 1 1 50 50 LEU C C 50 179.482 179.482 178.800 0.682 18443 3018 1 5 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.257 0.949 18443 3019 1 5 . 1 1 50 50 LEU CB C 50 41.835 41.835 42.005 -0.170 18443 3020 1 5 . 1 1 50 50 LEU H H 50 7.291 7.291 7.408 -0.117 18443 3021 1 5 . 1 1 51 51 LEU N N 51 118.677 118.677 119.148 -0.471 18443 3022 1 5 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.036 0.254 18443 3023 1 5 . 1 1 51 51 LEU C C 51 179.233 179.233 179.523 -0.290 18443 3024 1 5 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.255 1.088 18443 3025 1 5 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.554 1.832 18443 3026 1 5 . 1 1 51 51 LEU H H 51 8.358 8.358 7.495 0.863 18443 3027 1 5 . 1 1 52 52 GLU N N 52 116.437 116.437 117.017 -0.580 18443 3028 1 5 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.999 0.169 18443 3029 1 5 . 1 1 52 52 GLU C C 52 178.898 178.898 177.788 1.110 18443 3030 1 5 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.130 -0.137 18443 3031 1 5 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.416 0.789 18443 3032 1 5 . 1 1 52 52 GLU H H 52 8.715 8.715 8.709 0.006 18443 3033 1 5 . 1 1 53 53 ALA N N 53 119.092 119.092 119.934 -0.842 18443 3034 1 5 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.337 0.090 18443 3035 1 5 . 1 1 53 53 ALA C C 53 180.298 180.298 177.721 2.577 18443 3036 1 5 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.617 -0.054 18443 3037 1 5 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.808 0.410 18443 3038 1 5 . 1 1 53 53 ALA H H 53 7.782 7.782 7.558 0.224 18443 3039 1 5 . 1 1 54 54 ARG N N 54 111.562 111.562 112.653 -1.091 18443 3040 1 5 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.465 0.190 18443 3041 1 5 . 1 1 54 54 ARG C C 54 175.560 175.560 174.560 1.000 18443 3042 1 5 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.195 -0.164 18443 3043 1 5 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.694 2.643 18443 3044 1 5 . 1 1 54 54 ARG H H 54 7.740 7.740 7.887 -0.147 18443 3045 1 5 . 1 1 55 55 PHE N N 55 117.038 117.038 120.970 -3.932 18443 3046 1 5 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.318 0.344 18443 3047 1 5 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.230 -0.402 18443 3048 1 5 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.439 0.843 18443 3049 1 5 . 1 1 55 55 PHE H H 55 8.555 8.555 8.329 0.226 18443 3050 1 5 . 1 1 56 56 VAL N N 56 121.038 121.038 124.200 -3.162 18443 3051 1 5 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.287 0.038 18443 3052 1 5 . 1 1 56 56 VAL C C 56 175.305 175.305 174.850 0.455 18443 3053 1 5 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.564 1.382 18443 3054 1 5 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.108 1.397 18443 3055 1 5 . 1 1 56 56 VAL H H 56 8.817 8.817 9.361 -0.544 18443 3056 1 5 . 1 1 57 57 VAL N N 57 125.781 125.781 128.863 -3.082 18443 3057 1 5 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.308 0.668 18443 3058 1 5 . 1 1 57 57 VAL C C 57 174.535 174.535 174.379 0.156 18443 3059 1 5 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.346 0.044 18443 3060 1 5 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.569 1.367 18443 3061 1 5 . 1 1 57 57 VAL H H 57 9.498 9.498 8.253 1.245 18443 3062 1 5 . 1 1 58 58 ALA N N 58 128.137 128.137 130.831 -2.694 18443 3063 1 5 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.489 0.132 18443 3064 1 5 . 1 1 58 58 ALA C C 58 175.953 175.953 176.827 -0.874 18443 3065 1 5 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.520 -0.756 18443 3066 1 5 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.836 0.879 18443 3067 1 5 . 1 1 58 58 ALA H H 58 9.062 9.062 9.206 -0.144 18443 3068 1 5 . 1 1 59 59 SER N N 59 117.343 117.343 121.442 -4.099 18443 3069 1 5 . 1 1 59 59 SER HA H 59 4.693 4.693 4.955 -0.262 18443 3070 1 5 . 1 1 59 59 SER C C 59 174.092 174.092 174.300 -0.208 18443 3071 1 5 . 1 1 59 59 SER CA C 59 56.135 56.135 57.778 -1.643 18443 3072 1 5 . 1 1 59 59 SER CB C 59 63.731 63.731 62.855 0.876 18443 3073 1 5 . 1 1 59 59 SER H H 59 8.676 8.676 8.985 -0.309 18443 3074 1 5 . 1 1 60 60 VAL N N 60 129.829 129.829 128.123 1.706 18443 3075 1 5 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.130 -0.201 18443 3076 1 5 . 1 1 60 60 VAL C C 60 172.999 172.999 174.668 -1.669 18443 3077 1 5 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.143 0.379 18443 3078 1 5 . 1 1 60 60 VAL CB C 60 33.335 33.335 32.836 0.499 18443 3079 1 5 . 1 1 60 60 VAL H H 60 8.716 8.716 8.218 0.498 18443 3080 1 5 . 1 1 61 61 SER N N 61 119.457 119.457 123.010 -3.553 18443 3081 1 5 . 1 1 61 61 SER HA H 61 4.211 4.211 4.404 -0.193 18443 3082 1 5 . 1 1 61 61 SER C C 61 178.511 178.511 175.878 2.633 18443 3083 1 5 . 1 1 61 61 SER CA C 61 55.404 55.404 57.320 -1.916 18443 3084 1 5 . 1 1 61 61 SER CB C 61 63.080 63.080 63.623 -0.543 18443 3085 1 5 . 1 1 61 61 SER H H 61 8.250 8.250 8.273 -0.023 18443 3086 1 5 . 1 1 62 62 VAL N N 62 123.331 123.331 126.353 -3.022 18443 3087 1 5 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.741 0.300 18443 3088 1 5 . 1 1 62 62 VAL C C 62 174.434 174.434 176.131 -1.697 18443 3089 1 5 . 1 1 62 62 VAL CA C 62 62.777 62.777 65.493 -2.716 18443 3090 1 5 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.183 -1.316 18443 3091 1 5 . 1 1 62 62 VAL H H 62 8.954 8.954 8.588 0.366 18443 3092 1 5 . 1 1 63 63 ASP N N 63 119.953 119.953 117.351 2.602 18443 3093 1 5 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.553 0.166 18443 3094 1 5 . 1 1 63 63 ASP C C 63 175.930 175.930 176.710 -0.780 18443 3095 1 5 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.723 -0.793 18443 3096 1 5 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.210 0.008 18443 3097 1 5 . 1 1 63 63 ASP H H 63 7.966 7.966 8.455 -0.489 18443 3098 1 5 . 1 1 64 64 THR N N 64 108.822 108.822 112.966 -4.144 18443 3099 1 5 . 1 1 64 64 THR HA H 64 4.963 4.963 4.806 0.157 18443 3100 1 5 . 1 1 64 64 THR C C 64 173.012 173.012 173.760 -0.748 18443 3101 1 5 . 1 1 64 64 THR CA C 64 58.176 58.176 59.335 -1.159 18443 3102 1 5 . 1 1 64 64 THR CB C 64 70.326 70.326 69.851 0.475 18443 3103 1 5 . 1 1 64 64 THR H H 64 7.315 7.315 7.444 -0.129 18443 3104 1 5 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.412 -0.124 18443 3105 1 5 . 1 1 65 65 PRO C C 65 180.307 180.307 178.646 1.661 18443 3106 1 5 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.988 -0.147 18443 3107 1 5 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.664 0.297 18443 3108 1 5 . 1 1 66 66 GLU N N 66 118.398 118.398 118.116 0.282 18443 3109 1 5 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.104 0.057 18443 3110 1 5 . 1 1 66 66 GLU C C 66 179.940 179.940 179.091 0.849 18443 3111 1 5 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.715 0.224 18443 3112 1 5 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.724 1.147 18443 3113 1 5 . 1 1 66 66 GLU H H 66 9.304 9.304 8.909 0.395 18443 3114 1 5 . 1 1 67 67 GLY N N 67 110.592 110.592 108.148 2.444 18443 3115 1 5 . 1 1 67 67 GLY C C 67 176.529 176.529 176.393 0.136 18443 3116 1 5 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.356 0.508 18443 3117 1 5 . 1 1 67 67 GLY H H 67 8.172 8.172 7.641 0.531 18443 3118 1 5 . 1 1 68 68 GLN N N 68 121.948 121.948 121.769 0.179 18443 3119 1 5 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.995 0.018 18443 3120 1 5 . 1 1 68 68 GLN C C 68 179.366 179.366 178.446 0.920 18443 3121 1 5 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.720 0.471 18443 3122 1 5 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.758 -0.824 18443 3123 1 5 . 1 1 68 68 GLN H H 68 8.504 8.504 8.678 -0.174 18443 3124 1 5 . 1 1 69 69 GLU N N 69 120.280 120.280 120.967 -0.687 18443 3125 1 5 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.111 0.059 18443 3126 1 5 . 1 1 69 69 GLU C C 69 179.360 179.360 178.796 0.564 18443 3127 1 5 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.961 0.529 18443 3128 1 5 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.201 -0.270 18443 3129 1 5 . 1 1 69 69 GLU H H 69 7.815 7.815 8.353 -0.538 18443 3130 1 5 . 1 1 70 70 LEU N N 70 121.041 121.041 119.937 1.104 18443 3131 1 5 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.160 -0.044 18443 3132 1 5 . 1 1 70 70 LEU C C 70 178.961 178.961 179.122 -0.161 18443 3133 1 5 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.577 0.616 18443 3134 1 5 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.567 1.160 18443 3135 1 5 . 1 1 70 70 LEU H H 70 7.758 7.758 7.988 -0.230 18443 3136 1 5 . 1 1 71 71 ALA N N 71 122.094 122.094 122.268 -0.174 18443 3137 1 5 . 1 1 71 71 ALA HA H 71 3.573 3.573 4.015 -0.442 18443 3138 1 5 . 1 1 71 71 ALA C C 71 179.966 179.966 178.638 1.328 18443 3139 1 5 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.193 -0.155 18443 3140 1 5 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.591 -1.172 18443 3141 1 5 . 1 1 71 71 ALA H H 71 8.745 8.745 8.581 0.164 18443 3142 1 5 . 1 1 72 72 ARG N N 72 118.463 118.463 116.602 1.861 18443 3143 1 5 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.216 -0.095 18443 3144 1 5 . 1 1 72 72 ARG C C 72 180.905 180.905 177.887 3.018 18443 3145 1 5 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.287 1.237 18443 3146 1 5 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.984 0.318 18443 3147 1 5 . 1 1 72 72 ARG H H 72 7.862 7.862 7.610 0.252 18443 3148 1 5 . 1 1 73 73 ARG N N 73 122.223 122.223 119.631 2.592 18443 3149 1 5 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.049 -0.091 18443 3150 1 5 . 1 1 73 73 ARG C C 73 178.562 178.562 178.493 0.069 18443 3151 1 5 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.640 0.898 18443 3152 1 5 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.711 -0.520 18443 3153 1 5 . 1 1 73 73 ARG H H 73 8.189 8.189 8.026 0.163 18443 3154 1 5 . 1 1 74 74 TYR N N 74 114.319 114.319 116.472 -2.153 18443 3155 1 5 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.445 -0.044 18443 3156 1 5 . 1 1 74 74 TYR C C 74 174.321 174.321 175.102 -0.781 18443 3157 1 5 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.648 0.136 18443 3158 1 5 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.858 0.406 18443 3159 1 5 . 1 1 74 74 TYR H H 74 8.047 8.047 8.601 -0.554 18443 3160 1 5 . 1 1 75 75 ARG N N 75 119.572 119.572 116.619 2.953 18443 3161 1 5 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.105 -0.236 18443 3162 1 5 . 1 1 75 75 ARG C C 75 175.880 175.880 174.732 1.148 18443 3163 1 5 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.971 -0.131 18443 3164 1 5 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.636 -1.128 18443 3165 1 5 . 1 1 75 75 ARG H H 75 7.865 7.865 7.420 0.445 18443 3166 1 5 . 1 1 76 76 VAL N N 76 119.885 119.885 120.330 -0.445 18443 3167 1 5 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.204 -0.413 18443 3168 1 5 . 1 1 76 76 VAL C C 76 176.374 176.374 173.890 2.484 18443 3169 1 5 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.067 1.689 18443 3170 1 5 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.177 -1.264 18443 3171 1 5 . 1 1 76 76 VAL H H 76 8.024 8.024 7.473 0.551 18443 3172 1 5 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.574 -0.177 18443 3173 1 5 . 1 1 77 77 PRO C C 77 175.829 175.829 176.547 -0.718 18443 3174 1 5 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.227 1.235 18443 3175 1 5 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.153 -0.396 18443 3176 1 5 . 1 1 78 78 GLY N N 78 105.453 105.453 112.085 -6.632 18443 3177 1 5 . 1 1 78 78 GLY C C 78 171.794 171.794 172.878 -1.084 18443 3178 1 5 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.849 -0.240 18443 3179 1 5 . 1 1 78 78 GLY H H 78 6.725 6.725 8.366 -1.641 18443 3180 1 5 . 1 1 79 79 THR N N 79 110.056 110.056 119.255 -9.199 18443 3181 1 5 . 1 1 79 79 THR HA H 79 4.886 4.886 4.659 0.227 18443 3182 1 5 . 1 1 79 79 THR CA C 79 57.957 57.957 59.796 -1.839 18443 3183 1 5 . 1 1 79 79 THR CB C 79 70.685 70.685 70.064 0.621 18443 3184 1 5 . 1 1 79 79 THR H H 79 8.771 8.771 8.215 0.556 18443 3185 1 5 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.703 0.376 18443 3186 1 5 . 1 1 80 80 PRO C C 80 176.536 176.536 175.687 0.849 18443 3187 1 5 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.765 0.794 18443 3188 1 5 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.886 2.785 18443 3189 1 5 . 1 1 81 81 THR N N 81 116.755 116.755 117.315 -0.560 18443 3190 1 5 . 1 1 81 81 THR HA H 81 5.425 5.425 4.884 0.541 18443 3191 1 5 . 1 1 81 81 THR C C 81 171.960 171.960 173.335 -1.375 18443 3192 1 5 . 1 1 81 81 THR CA C 81 63.540 63.540 61.533 2.007 18443 3193 1 5 . 1 1 81 81 THR CB C 81 71.840 71.840 70.550 1.290 18443 3194 1 5 . 1 1 81 81 THR H H 81 8.176 8.176 7.777 0.399 18443 3195 1 5 . 1 1 82 82 PHE N N 82 126.263 126.263 127.634 -1.371 18443 3196 1 5 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.232 0.404 18443 3197 1 5 . 1 1 82 82 PHE C C 82 174.738 174.738 174.799 -0.061 18443 3198 1 5 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.235 -0.465 18443 3199 1 5 . 1 1 82 82 PHE CB C 82 41.280 41.280 39.911 1.369 18443 3200 1 5 . 1 1 82 82 PHE H H 82 9.540 9.540 9.046 0.494 18443 3201 1 5 . 1 1 83 83 VAL N N 83 123.703 123.703 122.607 1.096 18443 3202 1 5 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.922 -0.381 18443 3203 1 5 . 1 1 83 83 VAL C C 83 174.159 174.159 174.573 -0.414 18443 3204 1 5 . 1 1 83 83 VAL CA C 83 62.029 62.029 60.873 1.156 18443 3205 1 5 . 1 1 83 83 VAL CB C 83 35.107 35.107 34.444 0.663 18443 3206 1 5 . 1 1 83 83 VAL H H 83 9.208 9.208 8.939 0.269 18443 3207 1 5 . 1 1 84 84 PHE N N 84 126.003 126.003 125.931 0.072 18443 3208 1 5 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.606 0.204 18443 3209 1 5 . 1 1 84 84 PHE C C 84 175.481 175.481 175.085 0.396 18443 3210 1 5 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.154 1.099 18443 3211 1 5 . 1 1 84 84 PHE CB C 84 41.812 41.812 41.135 0.677 18443 3212 1 5 . 1 1 84 84 PHE H H 84 8.878 8.878 8.615 0.263 18443 3213 1 5 . 1 1 85 85 LEU N N 85 123.597 123.597 123.662 -0.065 18443 3214 1 5 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.662 0.232 18443 3215 1 5 . 1 1 85 85 LEU C C 85 176.528 176.528 176.256 0.272 18443 3216 1 5 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.640 -0.270 18443 3217 1 5 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.550 3.649 18443 3218 1 5 . 1 1 85 85 LEU H H 85 9.604 9.604 9.274 0.330 18443 3219 1 5 . 1 1 86 86 VAL N N 86 118.274 118.274 122.978 -4.704 18443 3220 1 5 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.653 0.565 18443 3221 1 5 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.659 -1.098 18443 3222 1 5 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.279 2.214 18443 3223 1 5 . 1 1 86 86 VAL H H 86 9.457 9.457 9.264 0.193 18443 3224 1 5 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.869 -0.921 18443 3225 1 5 . 1 1 87 87 PRO C C 87 177.132 177.132 176.107 1.025 18443 3226 1 5 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.570 0.793 18443 3227 1 5 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.558 0.100 18443 3228 1 5 . 1 1 88 88 LYS N N 88 124.554 124.554 121.276 3.278 18443 3229 1 5 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.343 -0.064 18443 3230 1 5 . 1 1 88 88 LYS C C 88 175.739 175.739 176.315 -0.576 18443 3231 1 5 . 1 1 88 88 LYS CA C 88 55.650 55.650 56.038 -0.388 18443 3232 1 5 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.557 0.141 18443 3233 1 5 . 1 1 88 88 LYS H H 88 8.119 8.119 8.323 -0.204 18443 3234 1 5 . 1 1 89 89 ALA N N 89 130.786 130.786 125.341 5.445 18443 3235 1 5 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.990 -0.020 18443 3236 1 5 . 1 1 89 89 ALA C C 89 176.947 176.947 177.302 -0.355 18443 3237 1 5 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.973 -0.783 18443 3238 1 5 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.650 -0.271 18443 3239 1 5 . 1 1 89 89 ALA H H 89 9.128 9.128 8.828 0.300 18443 3240 1 5 . 1 1 90 90 GLY N N 90 106.698 106.698 106.055 0.643 18443 3241 1 5 . 1 1 90 90 GLY C C 90 173.352 173.352 172.925 0.427 18443 3242 1 5 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.125 0.461 18443 3243 1 5 . 1 1 90 90 GLY H H 90 8.393 8.393 8.142 0.251 18443 3244 1 5 . 1 1 91 91 ALA N N 91 125.038 125.038 122.024 3.014 18443 3245 1 5 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.594 -0.017 18443 3246 1 5 . 1 1 91 91 ALA C C 91 175.940 175.940 174.298 1.642 18443 3247 1 5 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.338 -0.876 18443 3248 1 5 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.841 -0.189 18443 3249 1 5 . 1 1 91 91 ALA H H 91 7.788 7.788 7.553 0.235 18443 3250 1 5 . 1 1 92 92 TRP N N 92 120.760 120.760 119.571 1.189 18443 3251 1 5 . 1 1 92 92 TRP HA H 92 5.140 5.140 4.928 0.212 18443 3252 1 5 . 1 1 92 92 TRP C C 92 175.960 175.960 176.101 -0.141 18443 3253 1 5 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.383 0.468 18443 3254 1 5 . 1 1 92 92 TRP CB C 92 32.673 32.673 30.769 1.904 18443 3255 1 5 . 1 1 92 92 TRP H H 92 8.235 8.235 8.434 -0.199 18443 3256 1 5 . 1 1 93 93 GLU N N 93 124.341 124.341 125.079 -0.738 18443 3257 1 5 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.652 0.209 18443 3258 1 5 . 1 1 93 93 GLU C C 93 175.515 175.515 175.648 -0.133 18443 3259 1 5 . 1 1 93 93 GLU CA C 93 54.779 54.779 55.038 -0.259 18443 3260 1 5 . 1 1 93 93 GLU CB C 93 33.192 33.192 31.983 1.209 18443 3261 1 5 . 1 1 93 93 GLU H H 93 9.264 9.264 8.999 0.265 18443 3262 1 5 . 1 1 94 94 GLU N N 94 126.987 126.987 129.888 -2.901 18443 3263 1 5 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.611 0.586 18443 3264 1 5 . 1 1 94 94 GLU C C 94 177.604 177.604 177.077 0.527 18443 3265 1 5 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.455 0.149 18443 3266 1 5 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.378 0.700 18443 3267 1 5 . 1 1 94 94 GLU H H 94 9.123 9.123 9.154 -0.031 18443 3268 1 5 . 1 1 95 95 VAL N N 95 122.004 122.004 121.416 0.588 18443 3269 1 5 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.312 0.380 18443 3270 1 5 . 1 1 95 95 VAL C C 95 175.719 175.719 175.666 0.053 18443 3271 1 5 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.175 -0.840 18443 3272 1 5 . 1 1 95 95 VAL CB C 95 33.265 33.265 31.770 1.495 18443 3273 1 5 . 1 1 95 95 VAL H H 95 9.099 9.099 8.847 0.252 18443 3274 1 5 . 1 1 96 96 GLY N N 96 107.961 107.961 107.718 0.243 18443 3275 1 5 . 1 1 96 96 GLY C C 96 171.052 171.052 171.924 -0.872 18443 3276 1 5 . 1 1 96 96 GLY CA C 96 46.112 46.112 44.940 1.172 18443 3277 1 5 . 1 1 96 96 GLY H H 96 7.754 7.754 7.515 0.239 18443 3278 1 5 . 1 1 97 97 ARG N N 97 117.467 117.467 119.926 -2.459 18443 3279 1 5 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.707 -0.030 18443 3280 1 5 . 1 1 97 97 ARG C C 97 174.403 174.403 175.725 -1.322 18443 3281 1 5 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.035 0.591 18443 3282 1 5 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.783 0.530 18443 3283 1 5 . 1 1 97 97 ARG H H 97 8.489 8.489 8.430 0.059 18443 3284 1 5 . 1 1 98 98 LEU N N 98 122.922 122.922 124.700 -1.778 18443 3285 1 5 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.963 -0.038 18443 3286 1 5 . 1 1 98 98 LEU C C 98 174.871 174.871 175.438 -0.567 18443 3287 1 5 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.233 -0.262 18443 3288 1 5 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.517 2.025 18443 3289 1 5 . 1 1 98 98 LEU H H 98 9.504 9.504 9.239 0.265 18443 3290 1 5 . 1 1 99 99 PHE N N 99 124.212 124.212 123.799 0.413 18443 3291 1 5 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.494 0.154 18443 3292 1 5 . 1 1 99 99 PHE CA C 99 55.751 55.751 57.176 -1.425 18443 3293 1 5 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.988 -0.756 18443 3294 1 5 . 1 1 99 99 PHE H H 99 9.146 9.146 8.808 0.338 18443 3295 1 5 . 1 1 100 100 GLY N N 100 116.438 116.438 113.534 2.904 18443 3296 1 5 . 1 1 100 100 GLY C C 100 173.343 173.343 173.261 0.082 18443 3297 1 5 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.743 -1.307 18443 3298 1 5 . 1 1 100 100 GLY H H 100 8.464 8.464 8.380 0.084 18443 3299 1 5 . 1 1 101 101 SER N N 101 112.597 112.597 113.456 -0.859 18443 3300 1 5 . 1 1 101 101 SER HA H 101 4.616 4.616 4.278 0.338 18443 3301 1 5 . 1 1 101 101 SER C C 101 175.075 175.075 173.608 1.467 18443 3302 1 5 . 1 1 101 101 SER CA C 101 58.288 58.288 59.326 -1.038 18443 3303 1 5 . 1 1 101 101 SER CB C 101 64.305 64.305 63.332 0.973 18443 3304 1 5 . 1 1 101 101 SER H H 101 8.366 8.366 8.265 0.101 18443 3305 1 5 . 1 1 102 102 ARG N N 102 119.662 119.662 125.176 -5.514 18443 3306 1 5 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.814 0.117 18443 3307 1 5 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.381 0.439 18443 3308 1 5 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.559 0.883 18443 3309 1 5 . 1 1 102 102 ARG H H 102 7.767 7.767 8.700 -0.933 18443 3310 1 5 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.578 -0.027 18443 3311 1 5 . 1 1 103 103 PRO C C 103 177.345 177.345 177.864 -0.519 18443 3312 1 5 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.167 -0.091 18443 3313 1 5 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.777 0.091 18443 3314 1 5 . 1 1 104 104 ARG N N 104 121.205 121.205 122.103 -0.898 18443 3315 1 5 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.867 0.065 18443 3316 1 5 . 1 1 104 104 ARG C C 104 177.368 177.368 178.205 -0.837 18443 3317 1 5 . 1 1 104 104 ARG CA C 104 60.911 60.911 60.755 0.156 18443 3318 1 5 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.967 0.197 18443 3319 1 5 . 1 1 104 104 ARG H H 104 8.986 8.986 8.957 0.029 18443 3320 1 5 . 1 1 105 105 ALA N N 105 119.508 119.508 120.139 -0.631 18443 3321 1 5 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.156 -0.047 18443 3322 1 5 . 1 1 105 105 ALA C C 105 181.065 181.065 180.093 0.972 18443 3323 1 5 . 1 1 105 105 ALA CA C 105 55.745 55.745 55.063 0.682 18443 3324 1 5 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.845 0.451 18443 3325 1 5 . 1 1 105 105 ALA H H 105 9.033 9.033 8.615 0.418 18443 3326 1 5 . 1 1 106 106 GLU N N 106 117.537 117.537 119.453 -1.916 18443 3327 1 5 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.067 0.062 18443 3328 1 5 . 1 1 106 106 GLU C C 106 178.041 178.041 178.872 -0.831 18443 3329 1 5 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.993 -0.200 18443 3330 1 5 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.370 0.864 18443 3331 1 5 . 1 1 106 106 GLU H H 106 7.201 7.201 7.474 -0.273 18443 3332 1 5 . 1 1 107 107 PHE N N 107 120.721 120.721 121.279 -0.558 18443 3333 1 5 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.089 0.095 18443 3334 1 5 . 1 1 107 107 PHE C C 107 177.235 177.235 177.712 -0.477 18443 3335 1 5 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.689 0.054 18443 3336 1 5 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.170 0.913 18443 3337 1 5 . 1 1 107 107 PHE H H 107 8.555 8.555 8.440 0.115 18443 3338 1 5 . 1 1 108 108 LEU N N 108 117.219 117.219 119.174 -1.955 18443 3339 1 5 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.710 0.121 18443 3340 1 5 . 1 1 108 108 LEU C C 108 178.406 178.406 178.859 -0.453 18443 3341 1 5 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.233 0.251 18443 3342 1 5 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.352 0.800 18443 3343 1 5 . 1 1 108 108 LEU H H 108 8.364 8.364 8.900 -0.536 18443 3344 1 5 . 1 1 109 109 LYS N N 109 118.680 118.680 118.906 -0.226 18443 3345 1 5 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.898 0.003 18443 3346 1 5 . 1 1 109 109 LYS C C 109 179.696 179.696 179.019 0.677 18443 3347 1 5 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.949 0.233 18443 3348 1 5 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.317 -0.051 18443 3349 1 5 . 1 1 109 109 LYS H H 109 7.330 7.330 7.604 -0.274 18443 3350 1 5 . 1 1 110 110 GLU N N 110 119.802 119.802 118.949 0.853 18443 3351 1 5 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.007 -0.046 18443 3352 1 5 . 1 1 110 110 GLU C C 110 179.903 179.903 178.615 1.288 18443 3353 1 5 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.660 0.464 18443 3354 1 5 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.291 -0.519 18443 3355 1 5 . 1 1 110 110 GLU H H 110 8.077 8.077 7.866 0.211 18443 3356 1 5 . 1 1 111 111 LEU N N 111 120.129 120.129 121.741 -1.612 18443 3357 1 5 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.429 0.103 18443 3358 1 5 . 1 1 111 111 LEU C C 111 179.792 179.792 178.624 1.168 18443 3359 1 5 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.933 -0.499 18443 3360 1 5 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.644 1.084 18443 3361 1 5 . 1 1 111 111 LEU H H 111 8.341 8.341 8.405 -0.064 18443 3362 1 5 . 1 1 112 112 ARG N N 112 118.350 118.350 118.127 0.223 18443 3363 1 5 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.970 -0.074 18443 3364 1 5 . 1 1 112 112 ARG C C 112 179.446 179.446 178.960 0.486 18443 3365 1 5 . 1 1 112 112 ARG CA C 112 60.323 60.323 59.340 0.983 18443 3366 1 5 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.973 -0.094 18443 3367 1 5 . 1 1 112 112 ARG H H 112 8.166 8.166 7.714 0.452 18443 3368 1 5 . 1 1 113 113 GLN N N 113 118.358 118.358 119.075 -0.717 18443 3369 1 5 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.039 0.054 18443 3370 1 5 . 1 1 113 113 GLN C C 113 179.137 179.137 178.493 0.644 18443 3371 1 5 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.729 0.102 18443 3372 1 5 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.636 -0.166 18443 3373 1 5 . 1 1 113 113 GLN H H 113 7.842 7.842 7.546 0.296 18443 3374 1 5 . 1 1 114 114 VAL N N 114 120.174 120.174 120.392 -0.218 18443 3375 1 5 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.545 0.106 18443 3376 1 5 . 1 1 114 114 VAL C C 114 177.853 177.853 177.733 0.120 18443 3377 1 5 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.460 -0.397 18443 3378 1 5 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.942 0.297 18443 3379 1 5 . 1 1 114 114 VAL H H 114 7.947 7.947 8.109 -0.162 18443 3380 1 5 . 1 1 115 115 CYS N N 115 117.549 117.549 116.929 0.620 18443 3381 1 5 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.185 -0.105 18443 3382 1 5 . 1 1 115 115 CYS C C 115 177.204 177.204 176.866 0.338 18443 3383 1 5 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.388 0.186 18443 3384 1 5 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.767 -0.010 18443 3385 1 5 . 1 1 115 115 CYS H H 115 7.801 7.801 7.871 -0.070 18443 3386 1 5 . 1 1 116 116 VAL N N 116 119.053 119.053 119.873 -0.820 18443 3387 1 5 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.679 0.174 18443 3388 1 5 . 1 1 116 116 VAL C C 116 178.840 178.840 177.233 1.607 18443 3389 1 5 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.258 -0.816 18443 3390 1 5 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.703 0.206 18443 3391 1 5 . 1 1 116 116 VAL H H 116 7.465 7.465 7.186 0.280 18443 3392 1 5 . 1 1 117 117 LYS N N 117 121.003 121.003 119.428 1.575 18443 3393 1 5 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.405 -0.229 18443 3394 1 5 . 1 1 117 117 LYS C C 117 178.689 178.689 179.035 -0.346 18443 3395 1 5 . 1 1 117 117 LYS CA C 117 58.555 58.555 58.483 0.072 18443 3396 1 5 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.797 0.921 18443 3397 1 5 . 1 1 117 117 LYS H H 117 7.915 7.915 7.742 0.173 18443 3398 1 5 . 1 1 118 118 GLY N N 118 106.132 106.132 107.205 -1.073 18443 3399 1 5 . 1 1 118 118 GLY C C 118 174.909 174.909 175.162 -0.253 18443 3400 1 5 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.788 -0.824 18443 3401 1 5 . 1 1 118 118 GLY H H 118 8.472 8.472 7.774 0.698 18443 3402 1 5 . 1 1 119 119 GLY N N 119 107.977 107.977 109.669 -1.692 18443 3403 1 5 . 1 1 119 119 GLY C C 119 174.631 174.631 174.142 0.489 18443 3404 1 5 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.042 0.924 18443 3405 1 5 . 1 1 119 119 GLY H H 119 7.791 7.791 7.665 0.126 18443 3406 1 5 . 1 1 120 120 ALA N N 120 123.981 123.981 123.406 0.575 18443 3407 1 5 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.575 -0.162 18443 3408 1 5 . 1 1 120 120 ALA C C 120 178.143 178.143 176.736 1.407 18443 3409 1 5 . 1 1 120 120 ALA CA C 120 52.816 52.816 50.819 1.997 18443 3410 1 5 . 1 1 120 120 ALA CB C 120 19.102 19.102 17.479 1.623 18443 3411 1 5 . 1 1 120 120 ALA H H 120 8.171 8.171 8.144 0.027 18443 3412 1 5 . 1 1 121 121 CYS N N 121 117.342 117.342 121.138 -3.796 18443 3413 1 5 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.359 0.151 18443 3414 1 5 . 1 1 121 121 CYS C C 121 175.318 175.318 174.103 1.215 18443 3415 1 5 . 1 1 121 121 CYS CA C 121 58.974 58.974 59.738 -0.764 18443 3416 1 5 . 1 1 121 121 CYS CB C 121 28.109 28.109 27.800 0.309 18443 3417 1 5 . 1 1 121 121 CYS H H 121 8.200 8.200 8.341 -0.141 18443 3418 1 5 . 1 1 122 122 GLY N N 122 110.351 110.351 106.565 3.786 18443 3419 1 5 . 1 1 122 122 GLY C C 122 174.299 174.299 173.638 0.661 18443 3420 1 5 . 1 1 122 122 GLY CA C 122 45.525 45.525 44.568 0.957 18443 3421 1 5 . 1 1 122 122 GLY H H 122 8.367 8.367 7.567 0.800 18443 3422 1 5 . 1 1 123 123 GLU N N 123 120.589 120.589 121.749 -1.160 18443 3423 1 5 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.347 -0.040 18443 3424 1 5 . 1 1 123 123 GLU C C 123 177.296 177.296 177.316 -0.020 18443 3425 1 5 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.712 0.119 18443 3426 1 5 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.854 0.607 18443 3427 1 5 . 1 1 123 123 GLU H H 123 8.280 8.280 8.282 -0.002 18443 3428 1 5 . 1 1 124 124 GLY N N 124 109.521 109.521 108.424 1.097 18443 3429 1 5 . 1 1 124 124 GLY C C 124 174.189 174.189 174.450 -0.261 18443 3430 1 5 . 1 1 124 124 GLY CA C 124 45.540 45.540 44.962 0.578 18443 3431 1 5 . 1 1 124 124 GLY H H 124 8.465 8.465 7.991 0.474 18443 3432 1 5 . 1 1 125 125 HIS N N 125 118.418 118.418 120.109 -1.691 18443 3433 1 5 . 1 1 125 125 HIS CA C 125 55.971 55.971 56.682 -0.711 18443 3434 1 5 . 1 1 125 125 HIS CB C 125 30.073 30.073 29.610 0.463 18443 3435 1 5 . 1 1 125 125 HIS H H 125 8.244 8.244 8.448 -0.204 18443 3436 1 6 . 1 1 2 2 SER HA H 2 4.050 4.050 4.734 -0.684 18443 3437 1 6 . 1 1 2 2 SER CA C 2 57.351 57.351 57.951 -0.600 18443 3438 1 6 . 1 1 2 2 SER CB C 2 63.259 63.259 64.637 -1.378 18443 3439 1 6 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.329 -0.027 18443 3440 1 6 . 1 1 3 3 LEU C C 3 175.706 175.706 176.150 -0.444 18443 3441 1 6 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.477 -0.191 18443 3442 1 6 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.675 0.245 18443 3443 1 6 . 1 1 4 4 ARG N N 4 127.222 127.222 127.768 -0.546 18443 3444 1 6 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.658 -0.340 18443 3445 1 6 . 1 1 4 4 ARG C C 4 173.862 173.862 174.749 -0.887 18443 3446 1 6 . 1 1 4 4 ARG CA C 4 54.980 54.980 55.071 -0.091 18443 3447 1 6 . 1 1 4 4 ARG CB C 4 31.326 31.326 31.143 0.183 18443 3448 1 6 . 1 1 4 4 ARG H H 4 8.502 8.502 8.768 -0.266 18443 3449 1 6 . 1 1 5 5 TRP N N 5 123.052 123.052 126.562 -3.510 18443 3450 1 6 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.568 -0.568 18443 3451 1 6 . 1 1 5 5 TRP C C 5 176.309 176.309 176.083 0.226 18443 3452 1 6 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.455 -0.774 18443 3453 1 6 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.272 0.618 18443 3454 1 6 . 1 1 5 5 TRP H H 5 8.184 8.184 8.678 -0.494 18443 3455 1 6 . 1 1 6 6 TYR N N 6 120.957 120.957 122.749 -1.792 18443 3456 1 6 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.992 -0.013 18443 3457 1 6 . 1 1 6 6 TYR CA C 6 57.184 57.184 56.092 1.092 18443 3458 1 6 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.546 -0.209 18443 3459 1 6 . 1 1 6 6 TYR H H 6 8.818 8.818 9.361 -0.543 18443 3460 1 6 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.736 0.174 18443 3461 1 6 . 1 1 7 7 PRO C C 7 177.869 177.869 177.479 0.390 18443 3462 1 6 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.280 0.298 18443 3463 1 6 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.895 0.050 18443 3464 1 6 . 1 1 8 8 TYR N N 8 122.256 122.256 122.537 -0.281 18443 3465 1 6 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.016 0.028 18443 3466 1 6 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.340 -0.265 18443 3467 1 6 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.133 0.721 18443 3468 1 6 . 1 1 8 8 TYR H H 8 9.408 9.408 9.184 0.224 18443 3469 1 6 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.129 -0.087 18443 3470 1 6 . 1 1 9 9 PRO C C 9 180.472 180.472 178.851 1.621 18443 3471 1 6 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.953 0.433 18443 3472 1 6 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.162 -0.636 18443 3473 1 6 . 1 1 10 10 GLU N N 10 118.047 118.047 117.717 0.330 18443 3474 1 6 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.006 0.048 18443 3475 1 6 . 1 1 10 10 GLU C C 10 178.293 178.293 178.404 -0.111 18443 3476 1 6 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.861 0.169 18443 3477 1 6 . 1 1 10 10 GLU CB C 10 30.309 30.309 28.974 1.335 18443 3478 1 6 . 1 1 10 10 GLU H H 10 7.093 7.093 8.441 -1.348 18443 3479 1 6 . 1 1 11 11 ALA N N 11 121.740 121.740 122.795 -1.055 18443 3480 1 6 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.026 -0.405 18443 3481 1 6 . 1 1 11 11 ALA C C 11 178.890 178.890 179.716 -0.826 18443 3482 1 6 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.355 -0.836 18443 3483 1 6 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.339 0.706 18443 3484 1 6 . 1 1 11 11 ALA H H 11 8.447 8.447 8.464 -0.017 18443 3485 1 6 . 1 1 12 12 LEU N N 12 115.622 115.622 118.409 -2.787 18443 3486 1 6 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.677 -0.226 18443 3487 1 6 . 1 1 12 12 LEU C C 12 179.331 179.331 178.961 0.370 18443 3488 1 6 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.622 0.901 18443 3489 1 6 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.908 -0.463 18443 3490 1 6 . 1 1 12 12 LEU H H 12 7.354 7.354 7.536 -0.182 18443 3491 1 6 . 1 1 13 13 ALA N N 13 120.240 120.240 122.798 -2.558 18443 3492 1 6 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.165 0.010 18443 3493 1 6 . 1 1 13 13 ALA C C 13 181.630 181.630 179.636 1.994 18443 3494 1 6 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.111 0.214 18443 3495 1 6 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.260 -0.105 18443 3496 1 6 . 1 1 13 13 ALA H H 13 7.201 7.201 7.615 -0.414 18443 3497 1 6 . 1 1 14 14 LEU N N 14 120.757 120.757 120.754 0.003 18443 3498 1 6 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.106 -0.019 18443 3499 1 6 . 1 1 14 14 LEU C C 14 179.635 179.635 179.098 0.537 18443 3500 1 6 . 1 1 14 14 LEU CA C 14 57.688 57.688 58.110 -0.422 18443 3501 1 6 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.675 1.117 18443 3502 1 6 . 1 1 14 14 LEU H H 14 8.202 8.202 8.645 -0.443 18443 3503 1 6 . 1 1 15 15 ALA N N 15 121.483 121.483 119.966 1.517 18443 3504 1 6 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.997 -0.123 18443 3505 1 6 . 1 1 15 15 ALA C C 15 180.839 180.839 179.693 1.146 18443 3506 1 6 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.414 0.834 18443 3507 1 6 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.323 1.313 18443 3508 1 6 . 1 1 15 15 ALA H H 15 8.594 8.594 7.777 0.817 18443 3509 1 6 . 1 1 16 16 GLN N N 16 117.131 117.131 120.437 -3.306 18443 3510 1 6 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.085 -0.116 18443 3511 1 6 . 1 1 16 16 GLN C C 16 178.701 178.701 178.483 0.218 18443 3512 1 6 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.883 0.270 18443 3513 1 6 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.802 0.077 18443 3514 1 6 . 1 1 16 16 GLN H H 16 8.609 8.609 8.265 0.344 18443 3515 1 6 . 1 1 17 17 ALA N N 17 120.088 120.088 120.797 -0.709 18443 3516 1 6 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.194 -0.075 18443 3517 1 6 . 1 1 17 17 ALA C C 17 179.305 179.305 178.259 1.046 18443 3518 1 6 . 1 1 17 17 ALA CA C 17 54.619 54.619 54.000 0.619 18443 3519 1 6 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.663 -0.400 18443 3520 1 6 . 1 1 17 17 ALA H H 17 7.635 7.635 8.485 -0.850 18443 3521 1 6 . 1 1 18 18 HIS N N 18 111.636 111.636 114.154 -2.518 18443 3522 1 6 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.694 0.118 18443 3523 1 6 . 1 1 18 18 HIS C C 18 175.021 175.021 175.544 -0.523 18443 3524 1 6 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.622 -0.085 18443 3525 1 6 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.152 0.059 18443 3526 1 6 . 1 1 18 18 HIS H H 18 7.728 7.728 7.598 0.130 18443 3527 1 6 . 1 1 19 19 GLY N N 19 111.899 111.899 108.646 3.253 18443 3528 1 6 . 1 1 19 19 GLY C C 19 175.071 175.071 174.287 0.784 18443 3529 1 6 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.754 1.901 18443 3530 1 6 . 1 1 19 19 GLY H H 19 7.886 7.886 7.929 -0.043 18443 3531 1 6 . 1 1 20 20 ARG N N 20 118.442 118.442 118.740 -0.298 18443 3532 1 6 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.527 0.084 18443 3533 1 6 . 1 1 20 20 ARG C C 20 174.586 174.586 174.981 -0.395 18443 3534 1 6 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.788 0.724 18443 3535 1 6 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.437 1.838 18443 3536 1 6 . 1 1 20 20 ARG H H 20 8.239 8.239 8.195 0.044 18443 3537 1 6 . 1 1 21 21 MET N N 21 115.457 115.457 117.679 -2.222 18443 3538 1 6 . 1 1 21 21 MET HA H 21 4.870 4.870 4.689 0.181 18443 3539 1 6 . 1 1 21 21 MET C C 21 175.707 175.707 175.122 0.585 18443 3540 1 6 . 1 1 21 21 MET CA C 21 56.111 56.111 55.111 1.000 18443 3541 1 6 . 1 1 21 21 MET CB C 21 35.717 35.717 35.693 0.024 18443 3542 1 6 . 1 1 21 21 MET H H 21 7.193 7.193 8.555 -1.362 18443 3543 1 6 . 1 1 22 22 VAL N N 22 119.607 119.607 120.226 -0.619 18443 3544 1 6 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.776 0.534 18443 3545 1 6 . 1 1 22 22 VAL C C 22 176.506 176.506 174.836 1.670 18443 3546 1 6 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.003 -0.574 18443 3547 1 6 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.495 3.163 18443 3548 1 6 . 1 1 22 22 VAL H H 22 9.034 9.034 9.160 -0.126 18443 3549 1 6 . 1 1 23 23 MET N N 23 126.309 126.309 129.469 -3.160 18443 3550 1 6 . 1 1 23 23 MET HA H 23 4.878 4.878 4.970 -0.092 18443 3551 1 6 . 1 1 23 23 MET C C 23 173.960 173.960 174.492 -0.532 18443 3552 1 6 . 1 1 23 23 MET CA C 23 54.184 54.184 54.544 -0.360 18443 3553 1 6 . 1 1 23 23 MET CB C 23 36.920 36.920 33.715 3.205 18443 3554 1 6 . 1 1 23 23 MET H H 23 8.704 8.704 8.869 -0.165 18443 3555 1 6 . 1 1 24 24 VAL N N 24 128.959 128.959 129.242 -0.283 18443 3556 1 6 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.889 0.449 18443 3557 1 6 . 1 1 24 24 VAL C C 24 174.245 174.245 174.045 0.200 18443 3558 1 6 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.817 -0.064 18443 3559 1 6 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.058 0.763 18443 3560 1 6 . 1 1 24 24 VAL H H 24 9.908 9.908 9.106 0.802 18443 3561 1 6 . 1 1 25 25 TYR N N 25 129.726 129.726 130.426 -0.700 18443 3562 1 6 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.848 0.379 18443 3563 1 6 . 1 1 25 25 TYR C C 25 173.393 173.393 173.946 -0.553 18443 3564 1 6 . 1 1 25 25 TYR CA C 25 53.083 53.083 56.188 -3.105 18443 3565 1 6 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.161 0.357 18443 3566 1 6 . 1 1 25 25 TYR H H 25 9.031 9.031 8.694 0.337 18443 3567 1 6 . 1 1 26 26 PHE N N 26 126.719 126.719 127.605 -0.886 18443 3568 1 6 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.465 0.630 18443 3569 1 6 . 1 1 26 26 PHE C C 26 174.151 174.151 174.567 -0.416 18443 3570 1 6 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.814 -0.376 18443 3571 1 6 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.570 1.054 18443 3572 1 6 . 1 1 26 26 PHE H H 26 9.162 9.162 8.538 0.624 18443 3573 1 6 . 1 1 27 27 HIS N N 27 118.311 118.311 121.981 -3.670 18443 3574 1 6 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.030 0.132 18443 3575 1 6 . 1 1 27 27 HIS C C 27 173.044 173.044 174.016 -0.972 18443 3576 1 6 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.509 -0.049 18443 3577 1 6 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.533 2.555 18443 3578 1 6 . 1 1 27 27 HIS H H 27 8.168 8.168 9.064 -0.896 18443 3579 1 6 . 1 1 28 28 SER N N 28 112.150 112.150 117.937 -5.787 18443 3580 1 6 . 1 1 28 28 SER HA H 28 4.790 4.790 4.595 0.195 18443 3581 1 6 . 1 1 28 28 SER C C 28 176.815 176.815 175.456 1.359 18443 3582 1 6 . 1 1 28 28 SER CA C 28 56.260 56.260 58.042 -1.782 18443 3583 1 6 . 1 1 28 28 SER CB C 28 65.470 65.470 64.675 0.795 18443 3584 1 6 . 1 1 28 28 SER H H 28 7.545 7.545 8.733 -1.188 18443 3585 1 6 . 1 1 29 29 GLU N N 29 130.603 130.603 122.275 8.328 18443 3586 1 6 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.421 -0.321 18443 3587 1 6 . 1 1 29 29 GLU C C 29 176.980 176.980 177.209 -0.229 18443 3588 1 6 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.263 1.407 18443 3589 1 6 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.449 0.190 18443 3590 1 6 . 1 1 29 29 GLU H H 29 9.681 9.681 9.069 0.612 18443 3591 1 6 . 1 1 30 30 HIS N N 30 114.752 114.752 118.410 -3.658 18443 3592 1 6 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.765 -0.071 18443 3593 1 6 . 1 1 30 30 HIS C C 30 173.679 173.679 175.140 -1.461 18443 3594 1 6 . 1 1 30 30 HIS CA C 30 54.393 54.393 55.454 -1.061 18443 3595 1 6 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.660 -0.288 18443 3596 1 6 . 1 1 30 30 HIS H H 30 8.226 8.226 7.971 0.255 18443 3597 1 6 . 1 1 31 31 CYS N N 31 124.685 124.685 119.880 4.805 18443 3598 1 6 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.635 0.311 18443 3599 1 6 . 1 1 31 31 CYS C C 31 175.771 175.771 174.154 1.617 18443 3600 1 6 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.543 -0.427 18443 3601 1 6 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.887 3.528 18443 3602 1 6 . 1 1 31 31 CYS H H 31 7.091 7.091 7.480 -0.389 18443 3603 1 6 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.495 -0.161 18443 3604 1 6 . 1 1 32 32 PRO C C 32 179.352 179.352 177.987 1.365 18443 3605 1 6 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.608 0.585 18443 3606 1 6 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.193 -0.121 18443 3607 1 6 . 1 1 33 33 TYR N N 33 125.092 125.092 120.280 4.812 18443 3608 1 6 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.400 0.095 18443 3609 1 6 . 1 1 33 33 TYR C C 33 179.457 179.457 177.710 1.747 18443 3610 1 6 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.844 0.036 18443 3611 1 6 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.367 -0.022 18443 3612 1 6 . 1 1 33 33 TYR H H 33 8.621 8.621 8.664 -0.043 18443 3613 1 6 . 1 1 34 34 CYS N N 34 127.272 127.272 119.830 7.442 18443 3614 1 6 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.165 0.170 18443 3615 1 6 . 1 1 34 34 CYS C C 34 176.672 176.672 176.403 0.269 18443 3616 1 6 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.901 3.257 18443 3617 1 6 . 1 1 34 34 CYS CB C 34 28.877 28.877 26.587 2.290 18443 3618 1 6 . 1 1 34 34 CYS H H 34 9.440 9.440 8.681 0.759 18443 3619 1 6 . 1 1 35 35 GLN N N 35 118.373 118.373 118.519 -0.146 18443 3620 1 6 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.916 0.143 18443 3621 1 6 . 1 1 35 35 GLN CA C 35 59.374 59.374 59.011 0.363 18443 3622 1 6 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.747 -0.171 18443 3623 1 6 . 1 1 35 35 GLN H H 35 7.866 7.866 7.797 0.069 18443 3624 1 6 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.181 0.065 18443 3625 1 6 . 1 1 36 36 GLN C C 36 178.881 178.881 178.255 0.626 18443 3626 1 6 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.636 0.990 18443 3627 1 6 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.549 0.056 18443 3628 1 6 . 1 1 37 37 MET N N 37 117.759 117.759 119.766 -2.007 18443 3629 1 6 . 1 1 37 37 MET HA H 37 4.488 4.488 4.229 0.259 18443 3630 1 6 . 1 1 37 37 MET C C 37 179.838 179.838 178.363 1.475 18443 3631 1 6 . 1 1 37 37 MET CA C 37 57.229 57.229 57.674 -0.445 18443 3632 1 6 . 1 1 37 37 MET CB C 37 29.983 29.983 32.281 -2.298 18443 3633 1 6 . 1 1 37 37 MET H H 37 8.125 8.125 7.549 0.576 18443 3634 1 6 . 1 1 38 38 ASN N N 38 122.249 122.249 117.497 4.752 18443 3635 1 6 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.407 -0.045 18443 3636 1 6 . 1 1 38 38 ASN C C 38 177.355 177.355 177.403 -0.048 18443 3637 1 6 . 1 1 38 38 ASN CA C 38 56.435 56.435 57.087 -0.652 18443 3638 1 6 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.533 -1.021 18443 3639 1 6 . 1 1 38 38 ASN H H 38 9.245 9.245 8.742 0.503 18443 3640 1 6 . 1 1 39 39 THR N N 39 113.554 113.554 115.869 -2.315 18443 3641 1 6 . 1 1 39 39 THR HA H 39 3.853 3.853 3.851 0.002 18443 3642 1 6 . 1 1 39 39 THR C C 39 176.277 176.277 175.755 0.522 18443 3643 1 6 . 1 1 39 39 THR CA C 39 65.843 65.843 66.006 -0.163 18443 3644 1 6 . 1 1 39 39 THR CB C 39 69.595 69.595 68.413 1.182 18443 3645 1 6 . 1 1 39 39 THR H H 39 8.034 8.034 7.377 0.657 18443 3646 1 6 . 1 1 40 40 PHE N N 40 116.394 116.394 119.584 -3.190 18443 3647 1 6 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.449 0.371 18443 3648 1 6 . 1 1 40 40 PHE C C 40 176.255 176.255 177.713 -1.458 18443 3649 1 6 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.344 -1.629 18443 3650 1 6 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.421 2.464 18443 3651 1 6 . 1 1 40 40 PHE H H 40 8.309 8.309 7.861 0.448 18443 3652 1 6 . 1 1 41 41 VAL N N 41 117.246 117.246 117.587 -0.341 18443 3653 1 6 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.797 0.509 18443 3654 1 6 . 1 1 41 41 VAL C C 41 176.704 176.704 177.357 -0.653 18443 3655 1 6 . 1 1 41 41 VAL CA C 41 65.839 65.839 65.500 0.339 18443 3656 1 6 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.698 1.940 18443 3657 1 6 . 1 1 41 41 VAL H H 41 7.678 7.678 7.603 0.075 18443 3658 1 6 . 1 1 42 42 LEU N N 42 117.179 117.179 117.979 -0.800 18443 3659 1 6 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.063 -0.115 18443 3660 1 6 . 1 1 42 42 LEU C C 42 175.837 175.837 177.200 -1.363 18443 3661 1 6 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.994 1.302 18443 3662 1 6 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.633 -1.518 18443 3663 1 6 . 1 1 42 42 LEU H H 42 8.882 8.882 8.301 0.581 18443 3664 1 6 . 1 1 43 43 SER N N 43 105.494 105.494 111.705 -6.211 18443 3665 1 6 . 1 1 43 43 SER HA H 43 4.408 4.408 4.356 0.052 18443 3666 1 6 . 1 1 43 43 SER C C 43 175.397 175.397 174.070 1.327 18443 3667 1 6 . 1 1 43 43 SER CA C 43 57.144 57.144 59.128 -1.984 18443 3668 1 6 . 1 1 43 43 SER CB C 43 64.117 64.117 63.338 0.779 18443 3669 1 6 . 1 1 43 43 SER H H 43 6.785 6.785 7.285 -0.500 18443 3670 1 6 . 1 1 44 44 ASP N N 44 126.617 126.617 123.946 2.671 18443 3671 1 6 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.545 0.266 18443 3672 1 6 . 1 1 44 44 ASP C C 44 175.644 175.644 175.659 -0.015 18443 3673 1 6 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.618 -0.945 18443 3674 1 6 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.219 1.454 18443 3675 1 6 . 1 1 44 44 ASP H H 44 7.443 7.443 7.279 0.164 18443 3676 1 6 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.227 0.125 18443 3677 1 6 . 1 1 45 45 PRO C C 45 178.792 178.792 178.183 0.609 18443 3678 1 6 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.063 0.696 18443 3679 1 6 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.017 0.322 18443 3680 1 6 . 1 1 46 46 GLY N N 46 107.270 107.270 105.580 1.690 18443 3681 1 6 . 1 1 46 46 GLY C C 46 176.799 176.799 176.827 -0.028 18443 3682 1 6 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.652 0.376 18443 3683 1 6 . 1 1 46 46 GLY H H 46 8.161 8.161 8.401 -0.240 18443 3684 1 6 . 1 1 47 47 VAL N N 47 124.473 124.473 123.047 1.426 18443 3685 1 6 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.624 -0.029 18443 3686 1 6 . 1 1 47 47 VAL C C 47 177.886 177.886 177.494 0.392 18443 3687 1 6 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.379 0.121 18443 3688 1 6 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.610 0.815 18443 3689 1 6 . 1 1 47 47 VAL H H 47 8.344 8.344 8.358 -0.014 18443 3690 1 6 . 1 1 48 48 SER N N 48 113.807 113.807 115.617 -1.810 18443 3691 1 6 . 1 1 48 48 SER HA H 48 4.053 4.053 4.126 -0.073 18443 3692 1 6 . 1 1 48 48 SER C C 48 176.889 176.889 176.536 0.353 18443 3693 1 6 . 1 1 48 48 SER CA C 48 62.777 62.777 61.791 0.986 18443 3694 1 6 . 1 1 48 48 SER CB C 48 62.884 62.884 62.870 0.014 18443 3695 1 6 . 1 1 48 48 SER H H 48 9.023 9.023 8.606 0.417 18443 3696 1 6 . 1 1 49 49 ARG N N 49 119.875 119.875 119.903 -0.028 18443 3697 1 6 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.037 0.127 18443 3698 1 6 . 1 1 49 49 ARG C C 49 179.398 179.398 179.177 0.221 18443 3699 1 6 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.248 0.310 18443 3700 1 6 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.038 0.209 18443 3701 1 6 . 1 1 49 49 ARG H H 49 8.081 8.081 7.812 0.269 18443 3702 1 6 . 1 1 50 50 LEU N N 50 121.717 121.717 119.607 2.110 18443 3703 1 6 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.148 0.231 18443 3704 1 6 . 1 1 50 50 LEU C C 50 179.482 179.482 179.051 0.431 18443 3705 1 6 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.426 0.780 18443 3706 1 6 . 1 1 50 50 LEU CB C 50 41.835 41.835 42.021 -0.186 18443 3707 1 6 . 1 1 50 50 LEU H H 50 7.291 7.291 7.691 -0.400 18443 3708 1 6 . 1 1 51 51 LEU N N 51 118.677 118.677 118.705 -0.028 18443 3709 1 6 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.205 0.085 18443 3710 1 6 . 1 1 51 51 LEU C C 51 179.233 179.233 179.497 -0.264 18443 3711 1 6 . 1 1 51 51 LEU CA C 51 58.343 58.343 56.581 1.762 18443 3712 1 6 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.449 1.937 18443 3713 1 6 . 1 1 51 51 LEU H H 51 8.358 8.358 7.732 0.626 18443 3714 1 6 . 1 1 52 52 GLU N N 52 116.437 116.437 119.733 -3.296 18443 3715 1 6 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.998 0.170 18443 3716 1 6 . 1 1 52 52 GLU C C 52 178.898 178.898 178.389 0.509 18443 3717 1 6 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.295 -0.302 18443 3718 1 6 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.479 0.726 18443 3719 1 6 . 1 1 52 52 GLU H H 52 8.715 8.715 8.715 -0.000 18443 3720 1 6 . 1 1 53 53 ALA N N 53 119.092 119.092 119.548 -0.456 18443 3721 1 6 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.264 0.163 18443 3722 1 6 . 1 1 53 53 ALA C C 53 180.298 180.298 178.060 2.238 18443 3723 1 6 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.576 -0.013 18443 3724 1 6 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.475 0.743 18443 3725 1 6 . 1 1 53 53 ALA H H 53 7.782 7.782 7.769 0.014 18443 3726 1 6 . 1 1 54 54 ARG N N 54 111.562 111.562 113.254 -1.692 18443 3727 1 6 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.456 0.199 18443 3728 1 6 . 1 1 54 54 ARG C C 54 175.560 175.560 174.163 1.397 18443 3729 1 6 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.267 -0.236 18443 3730 1 6 . 1 1 54 54 ARG CB C 54 33.337 33.337 29.906 3.431 18443 3731 1 6 . 1 1 54 54 ARG H H 54 7.740 7.740 7.784 -0.044 18443 3732 1 6 . 1 1 55 55 PHE N N 55 117.038 117.038 120.434 -3.396 18443 3733 1 6 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.604 0.058 18443 3734 1 6 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.977 -0.149 18443 3735 1 6 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.150 0.132 18443 3736 1 6 . 1 1 55 55 PHE H H 55 8.555 8.555 8.132 0.423 18443 3737 1 6 . 1 1 56 56 VAL N N 56 121.038 121.038 123.212 -2.174 18443 3738 1 6 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.330 -0.005 18443 3739 1 6 . 1 1 56 56 VAL C C 56 175.305 175.305 175.148 0.157 18443 3740 1 6 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.682 1.264 18443 3741 1 6 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.343 1.162 18443 3742 1 6 . 1 1 56 56 VAL H H 56 8.817 8.817 9.338 -0.521 18443 3743 1 6 . 1 1 57 57 VAL N N 57 125.781 125.781 128.559 -2.778 18443 3744 1 6 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.245 0.731 18443 3745 1 6 . 1 1 57 57 VAL C C 57 174.535 174.535 174.461 0.074 18443 3746 1 6 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.188 0.202 18443 3747 1 6 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.779 1.157 18443 3748 1 6 . 1 1 57 57 VAL H H 57 9.498 9.498 8.205 1.293 18443 3749 1 6 . 1 1 58 58 ALA N N 58 128.137 128.137 130.900 -2.763 18443 3750 1 6 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.435 0.186 18443 3751 1 6 . 1 1 58 58 ALA C C 58 175.953 175.953 176.851 -0.898 18443 3752 1 6 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.633 -0.869 18443 3753 1 6 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.762 0.953 18443 3754 1 6 . 1 1 58 58 ALA H H 58 9.062 9.062 9.121 -0.059 18443 3755 1 6 . 1 1 59 59 SER N N 59 117.343 117.343 121.351 -4.008 18443 3756 1 6 . 1 1 59 59 SER HA H 59 4.693 4.693 4.872 -0.179 18443 3757 1 6 . 1 1 59 59 SER C C 59 174.092 174.092 174.277 -0.185 18443 3758 1 6 . 1 1 59 59 SER CA C 59 56.135 56.135 57.400 -1.265 18443 3759 1 6 . 1 1 59 59 SER CB C 59 63.731 63.731 63.136 0.595 18443 3760 1 6 . 1 1 59 59 SER H H 59 8.676 8.676 9.100 -0.424 18443 3761 1 6 . 1 1 60 60 VAL N N 60 129.829 129.829 128.293 1.536 18443 3762 1 6 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.313 -0.384 18443 3763 1 6 . 1 1 60 60 VAL C C 60 172.999 172.999 175.089 -2.090 18443 3764 1 6 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.025 0.497 18443 3765 1 6 . 1 1 60 60 VAL CB C 60 33.335 33.335 32.101 1.234 18443 3766 1 6 . 1 1 60 60 VAL H H 60 8.716 8.716 8.360 0.356 18443 3767 1 6 . 1 1 61 61 SER N N 61 119.457 119.457 123.009 -3.552 18443 3768 1 6 . 1 1 61 61 SER HA H 61 4.211 4.211 4.435 -0.224 18443 3769 1 6 . 1 1 61 61 SER C C 61 178.511 178.511 175.941 2.570 18443 3770 1 6 . 1 1 61 61 SER CA C 61 55.404 55.404 56.818 -1.414 18443 3771 1 6 . 1 1 61 61 SER CB C 61 63.080 63.080 63.395 -0.315 18443 3772 1 6 . 1 1 61 61 SER H H 61 8.250 8.250 8.711 -0.461 18443 3773 1 6 . 1 1 62 62 VAL N N 62 123.331 123.331 125.884 -2.553 18443 3774 1 6 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.749 0.292 18443 3775 1 6 . 1 1 62 62 VAL C C 62 174.434 174.434 176.324 -1.890 18443 3776 1 6 . 1 1 62 62 VAL CA C 62 62.777 62.777 65.557 -2.780 18443 3777 1 6 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.535 -1.668 18443 3778 1 6 . 1 1 62 62 VAL H H 62 8.954 8.954 8.652 0.302 18443 3779 1 6 . 1 1 63 63 ASP N N 63 119.953 119.953 118.626 1.327 18443 3780 1 6 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.624 0.095 18443 3781 1 6 . 1 1 63 63 ASP C C 63 175.930 175.930 176.230 -0.300 18443 3782 1 6 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.295 -0.365 18443 3783 1 6 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.557 -0.339 18443 3784 1 6 . 1 1 63 63 ASP H H 63 7.966 7.966 7.913 0.053 18443 3785 1 6 . 1 1 64 64 THR N N 64 108.822 108.822 110.341 -1.519 18443 3786 1 6 . 1 1 64 64 THR HA H 64 4.963 4.963 4.919 0.044 18443 3787 1 6 . 1 1 64 64 THR C C 64 173.012 173.012 173.467 -0.455 18443 3788 1 6 . 1 1 64 64 THR CA C 64 58.176 58.176 58.643 -0.467 18443 3789 1 6 . 1 1 64 64 THR CB C 64 70.326 70.326 70.682 -0.356 18443 3790 1 6 . 1 1 64 64 THR H H 64 7.315 7.315 7.472 -0.157 18443 3791 1 6 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.310 -0.022 18443 3792 1 6 . 1 1 65 65 PRO C C 65 180.307 180.307 178.449 1.858 18443 3793 1 6 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.851 -0.010 18443 3794 1 6 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.585 0.376 18443 3795 1 6 . 1 1 66 66 GLU N N 66 118.398 118.398 118.018 0.380 18443 3796 1 6 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.104 0.057 18443 3797 1 6 . 1 1 66 66 GLU C C 66 179.940 179.940 179.127 0.813 18443 3798 1 6 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.667 0.272 18443 3799 1 6 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.777 1.094 18443 3800 1 6 . 1 1 66 66 GLU H H 66 9.304 9.304 8.929 0.375 18443 3801 1 6 . 1 1 67 67 GLY N N 67 110.592 110.592 108.052 2.540 18443 3802 1 6 . 1 1 67 67 GLY C C 67 176.529 176.529 176.264 0.265 18443 3803 1 6 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.309 0.555 18443 3804 1 6 . 1 1 67 67 GLY H H 67 8.172 8.172 7.651 0.521 18443 3805 1 6 . 1 1 68 68 GLN N N 68 121.948 121.948 122.106 -0.158 18443 3806 1 6 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.997 0.016 18443 3807 1 6 . 1 1 68 68 GLN C C 68 179.366 179.366 178.801 0.565 18443 3808 1 6 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.083 0.108 18443 3809 1 6 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.737 -0.803 18443 3810 1 6 . 1 1 68 68 GLN H H 68 8.504 8.504 8.535 -0.031 18443 3811 1 6 . 1 1 69 69 GLU N N 69 120.280 120.280 119.554 0.726 18443 3812 1 6 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.079 0.091 18443 3813 1 6 . 1 1 69 69 GLU C C 69 179.360 179.360 179.149 0.211 18443 3814 1 6 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.742 0.748 18443 3815 1 6 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.210 -0.279 18443 3816 1 6 . 1 1 69 69 GLU H H 69 7.815 7.815 8.532 -0.717 18443 3817 1 6 . 1 1 70 70 LEU N N 70 121.041 121.041 120.404 0.637 18443 3818 1 6 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.126 -0.010 18443 3819 1 6 . 1 1 70 70 LEU C C 70 178.961 178.961 178.861 0.100 18443 3820 1 6 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.102 0.091 18443 3821 1 6 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.514 1.212 18443 3822 1 6 . 1 1 70 70 LEU H H 70 7.758 7.758 7.796 -0.038 18443 3823 1 6 . 1 1 71 71 ALA N N 71 122.094 122.094 122.087 0.007 18443 3824 1 6 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.984 -0.411 18443 3825 1 6 . 1 1 71 71 ALA C C 71 179.966 179.966 179.343 0.623 18443 3826 1 6 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.448 -0.410 18443 3827 1 6 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.392 -0.973 18443 3828 1 6 . 1 1 71 71 ALA H H 71 8.745 8.745 8.442 0.303 18443 3829 1 6 . 1 1 72 72 ARG N N 72 118.463 118.463 117.822 0.641 18443 3830 1 6 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.183 -0.062 18443 3831 1 6 . 1 1 72 72 ARG C C 72 180.905 180.905 177.947 2.958 18443 3832 1 6 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.005 1.519 18443 3833 1 6 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.134 0.168 18443 3834 1 6 . 1 1 72 72 ARG H H 72 7.862 7.862 7.858 0.004 18443 3835 1 6 . 1 1 73 73 ARG N N 73 122.223 122.223 120.650 1.573 18443 3836 1 6 . 1 1 73 73 ARG HA H 73 3.958 3.958 3.969 -0.011 18443 3837 1 6 . 1 1 73 73 ARG C C 73 178.562 178.562 177.358 1.204 18443 3838 1 6 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.761 0.777 18443 3839 1 6 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.563 -0.372 18443 3840 1 6 . 1 1 73 73 ARG H H 73 8.189 8.189 8.010 0.179 18443 3841 1 6 . 1 1 74 74 TYR N N 74 114.319 114.319 115.832 -1.513 18443 3842 1 6 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.545 -0.144 18443 3843 1 6 . 1 1 74 74 TYR C C 74 174.321 174.321 175.086 -0.765 18443 3844 1 6 . 1 1 74 74 TYR CA C 74 59.784 59.784 58.023 1.761 18443 3845 1 6 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.372 -0.108 18443 3846 1 6 . 1 1 74 74 TYR H H 74 8.047 8.047 8.091 -0.044 18443 3847 1 6 . 1 1 75 75 ARG N N 75 119.572 119.572 117.313 2.259 18443 3848 1 6 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.028 -0.159 18443 3849 1 6 . 1 1 75 75 ARG C C 75 175.880 175.880 174.606 1.274 18443 3850 1 6 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.882 -0.042 18443 3851 1 6 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.404 -0.896 18443 3852 1 6 . 1 1 75 75 ARG H H 75 7.865 7.865 8.043 -0.178 18443 3853 1 6 . 1 1 76 76 VAL N N 76 119.885 119.885 121.574 -1.689 18443 3854 1 6 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.251 -0.460 18443 3855 1 6 . 1 1 76 76 VAL C C 76 176.374 176.374 173.673 2.701 18443 3856 1 6 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.800 0.956 18443 3857 1 6 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.413 -0.500 18443 3858 1 6 . 1 1 76 76 VAL H H 76 8.024 8.024 8.046 -0.022 18443 3859 1 6 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.670 -0.273 18443 3860 1 6 . 1 1 77 77 PRO C C 77 175.829 175.829 176.743 -0.914 18443 3861 1 6 . 1 1 77 77 PRO CA C 77 63.462 63.462 61.798 1.664 18443 3862 1 6 . 1 1 77 77 PRO CB C 77 31.757 31.757 31.595 0.162 18443 3863 1 6 . 1 1 78 78 GLY N N 78 105.453 105.453 111.930 -6.477 18443 3864 1 6 . 1 1 78 78 GLY C C 78 171.794 171.794 172.761 -0.967 18443 3865 1 6 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.676 -0.067 18443 3866 1 6 . 1 1 78 78 GLY H H 78 6.725 6.725 8.134 -1.409 18443 3867 1 6 . 1 1 79 79 THR N N 79 110.056 110.056 118.006 -7.950 18443 3868 1 6 . 1 1 79 79 THR HA H 79 4.886 4.886 4.567 0.319 18443 3869 1 6 . 1 1 79 79 THR CA C 79 57.957 57.957 60.413 -2.455 18443 3870 1 6 . 1 1 79 79 THR CB C 79 70.685 70.685 69.861 0.824 18443 3871 1 6 . 1 1 79 79 THR H H 79 8.771 8.771 8.110 0.661 18443 3872 1 6 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.638 0.441 18443 3873 1 6 . 1 1 80 80 PRO C C 80 176.536 176.536 175.659 0.877 18443 3874 1 6 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.635 0.924 18443 3875 1 6 . 1 1 80 80 PRO CB C 80 35.671 35.671 33.200 2.471 18443 3876 1 6 . 1 1 81 81 THR N N 81 116.755 116.755 116.429 0.326 18443 3877 1 6 . 1 1 81 81 THR HA H 81 5.425 5.425 4.808 0.617 18443 3878 1 6 . 1 1 81 81 THR C C 81 171.960 171.960 172.811 -0.851 18443 3879 1 6 . 1 1 81 81 THR CA C 81 63.540 63.540 61.540 2.000 18443 3880 1 6 . 1 1 81 81 THR CB C 81 71.840 71.840 71.792 0.048 18443 3881 1 6 . 1 1 81 81 THR H H 81 8.176 8.176 7.769 0.407 18443 3882 1 6 . 1 1 82 82 PHE N N 82 126.263 126.263 126.289 -0.026 18443 3883 1 6 . 1 1 82 82 PHE HA H 82 5.636 5.636 4.730 0.906 18443 3884 1 6 . 1 1 82 82 PHE C C 82 174.738 174.738 174.288 0.450 18443 3885 1 6 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.481 -0.711 18443 3886 1 6 . 1 1 82 82 PHE CB C 82 41.280 41.280 39.904 1.376 18443 3887 1 6 . 1 1 82 82 PHE H H 82 9.540 9.540 9.315 0.225 18443 3888 1 6 . 1 1 83 83 VAL N N 83 123.703 123.703 123.044 0.659 18443 3889 1 6 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.829 -0.288 18443 3890 1 6 . 1 1 83 83 VAL C C 83 174.159 174.159 174.399 -0.240 18443 3891 1 6 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.080 0.949 18443 3892 1 6 . 1 1 83 83 VAL CB C 83 35.107 35.107 34.280 0.827 18443 3893 1 6 . 1 1 83 83 VAL H H 83 9.208 9.208 8.588 0.620 18443 3894 1 6 . 1 1 84 84 PHE N N 84 126.003 126.003 126.131 -0.128 18443 3895 1 6 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.557 0.253 18443 3896 1 6 . 1 1 84 84 PHE C C 84 175.481 175.481 175.108 0.373 18443 3897 1 6 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.193 1.060 18443 3898 1 6 . 1 1 84 84 PHE CB C 84 41.812 41.812 41.249 0.563 18443 3899 1 6 . 1 1 84 84 PHE H H 84 8.878 8.878 8.777 0.101 18443 3900 1 6 . 1 1 85 85 LEU N N 85 123.597 123.597 123.437 0.160 18443 3901 1 6 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.591 0.303 18443 3902 1 6 . 1 1 85 85 LEU C C 85 176.528 176.528 176.360 0.168 18443 3903 1 6 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.647 -0.277 18443 3904 1 6 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.422 3.777 18443 3905 1 6 . 1 1 85 85 LEU H H 85 9.604 9.604 9.344 0.260 18443 3906 1 6 . 1 1 86 86 VAL N N 86 118.274 118.274 122.978 -4.704 18443 3907 1 6 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.672 0.546 18443 3908 1 6 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.530 -1.969 18443 3909 1 6 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.803 1.690 18443 3910 1 6 . 1 1 86 86 VAL H H 86 9.457 9.457 9.424 0.033 18443 3911 1 6 . 1 1 87 87 PRO HA H 87 3.948 3.948 3.858 0.090 18443 3912 1 6 . 1 1 87 87 PRO C C 87 177.132 177.132 175.414 1.718 18443 3913 1 6 . 1 1 87 87 PRO CA C 87 62.363 62.363 62.004 0.359 18443 3914 1 6 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.656 0.002 18443 3915 1 6 . 1 1 88 88 LYS N N 88 124.554 124.554 123.870 0.684 18443 3916 1 6 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.595 -0.316 18443 3917 1 6 . 1 1 88 88 LYS C C 88 175.739 175.739 175.624 0.115 18443 3918 1 6 . 1 1 88 88 LYS CA C 88 55.650 55.650 53.798 1.852 18443 3919 1 6 . 1 1 88 88 LYS CB C 88 34.698 34.698 35.422 -0.723 18443 3920 1 6 . 1 1 88 88 LYS H H 88 8.119 8.119 8.272 -0.153 18443 3921 1 6 . 1 1 89 89 ALA N N 89 130.786 130.786 125.873 4.913 18443 3922 1 6 . 1 1 89 89 ALA HA H 89 3.970 3.970 4.054 -0.084 18443 3923 1 6 . 1 1 89 89 ALA C C 89 176.947 176.947 177.723 -0.776 18443 3924 1 6 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.033 0.157 18443 3925 1 6 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.189 0.190 18443 3926 1 6 . 1 1 89 89 ALA H H 89 9.128 9.128 8.791 0.337 18443 3927 1 6 . 1 1 90 90 GLY N N 90 106.698 106.698 110.230 -3.532 18443 3928 1 6 . 1 1 90 90 GLY C C 90 173.352 173.352 173.392 -0.040 18443 3929 1 6 . 1 1 90 90 GLY CA C 90 45.586 45.586 44.966 0.620 18443 3930 1 6 . 1 1 90 90 GLY H H 90 8.393 8.393 8.222 0.171 18443 3931 1 6 . 1 1 91 91 ALA N N 91 125.038 125.038 122.002 3.036 18443 3932 1 6 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.514 0.063 18443 3933 1 6 . 1 1 91 91 ALA C C 91 175.940 175.940 174.228 1.712 18443 3934 1 6 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.817 -1.355 18443 3935 1 6 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.063 0.589 18443 3936 1 6 . 1 1 91 91 ALA H H 91 7.788 7.788 7.708 0.080 18443 3937 1 6 . 1 1 92 92 TRP N N 92 120.760 120.760 119.494 1.266 18443 3938 1 6 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.367 -0.227 18443 3939 1 6 . 1 1 92 92 TRP C C 92 175.960 175.960 176.572 -0.612 18443 3940 1 6 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.724 0.127 18443 3941 1 6 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.173 1.500 18443 3942 1 6 . 1 1 92 92 TRP H H 92 8.235 8.235 8.397 -0.162 18443 3943 1 6 . 1 1 93 93 GLU N N 93 124.341 124.341 123.134 1.207 18443 3944 1 6 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.805 0.056 18443 3945 1 6 . 1 1 93 93 GLU C C 93 175.515 175.515 175.126 0.389 18443 3946 1 6 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.682 0.097 18443 3947 1 6 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.659 -0.467 18443 3948 1 6 . 1 1 93 93 GLU H H 93 9.264 9.264 9.096 0.168 18443 3949 1 6 . 1 1 94 94 GLU N N 94 126.987 126.987 128.484 -1.497 18443 3950 1 6 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.600 0.597 18443 3951 1 6 . 1 1 94 94 GLU C C 94 177.604 177.604 175.874 1.730 18443 3952 1 6 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.286 -0.682 18443 3953 1 6 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.763 0.315 18443 3954 1 6 . 1 1 94 94 GLU H H 94 9.123 9.123 9.147 -0.024 18443 3955 1 6 . 1 1 95 95 VAL N N 95 122.004 122.004 127.422 -5.418 18443 3956 1 6 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.366 0.326 18443 3957 1 6 . 1 1 95 95 VAL C C 95 175.719 175.719 174.445 1.274 18443 3958 1 6 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.240 0.095 18443 3959 1 6 . 1 1 95 95 VAL CB C 95 33.265 33.265 33.996 -0.731 18443 3960 1 6 . 1 1 95 95 VAL H H 95 9.099 9.099 9.053 0.046 18443 3961 1 6 . 1 1 96 96 GLY N N 96 107.961 107.961 106.797 1.164 18443 3962 1 6 . 1 1 96 96 GLY C C 96 171.052 171.052 172.166 -1.114 18443 3963 1 6 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.440 0.672 18443 3964 1 6 . 1 1 96 96 GLY H H 96 7.754 7.754 7.598 0.156 18443 3965 1 6 . 1 1 97 97 ARG N N 97 117.467 117.467 123.360 -5.893 18443 3966 1 6 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.267 0.410 18443 3967 1 6 . 1 1 97 97 ARG C C 97 174.403 174.403 175.291 -0.888 18443 3968 1 6 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.088 0.538 18443 3969 1 6 . 1 1 97 97 ARG CB C 97 34.313 34.313 32.817 1.496 18443 3970 1 6 . 1 1 97 97 ARG H H 97 8.489 8.489 8.543 -0.054 18443 3971 1 6 . 1 1 98 98 LEU N N 98 122.922 122.922 125.767 -2.845 18443 3972 1 6 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.966 -0.041 18443 3973 1 6 . 1 1 98 98 LEU C C 98 174.871 174.871 175.089 -0.218 18443 3974 1 6 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.313 -0.342 18443 3975 1 6 . 1 1 98 98 LEU CB C 98 46.542 46.542 46.162 0.380 18443 3976 1 6 . 1 1 98 98 LEU H H 98 9.504 9.504 9.266 0.238 18443 3977 1 6 . 1 1 99 99 PHE N N 99 124.212 124.212 123.604 0.608 18443 3978 1 6 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.109 0.539 18443 3979 1 6 . 1 1 99 99 PHE CA C 99 55.751 55.751 57.042 -1.291 18443 3980 1 6 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.425 -1.193 18443 3981 1 6 . 1 1 99 99 PHE H H 99 9.146 9.146 8.812 0.334 18443 3982 1 6 . 1 1 100 100 GLY N N 100 116.438 116.438 115.727 0.711 18443 3983 1 6 . 1 1 100 100 GLY C C 100 173.343 173.343 172.943 0.400 18443 3984 1 6 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.279 -0.843 18443 3985 1 6 . 1 1 100 100 GLY H H 100 8.464 8.464 7.397 1.067 18443 3986 1 6 . 1 1 101 101 SER N N 101 112.597 112.597 118.463 -5.866 18443 3987 1 6 . 1 1 101 101 SER HA H 101 4.616 4.616 4.819 -0.203 18443 3988 1 6 . 1 1 101 101 SER C C 101 175.075 175.075 174.355 0.720 18443 3989 1 6 . 1 1 101 101 SER CA C 101 58.288 58.288 59.204 -0.916 18443 3990 1 6 . 1 1 101 101 SER CB C 101 64.305 64.305 64.013 0.292 18443 3991 1 6 . 1 1 101 101 SER H H 101 8.366 8.366 8.443 -0.077 18443 3992 1 6 . 1 1 102 102 ARG N N 102 119.662 119.662 124.987 -5.325 18443 3993 1 6 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.772 0.159 18443 3994 1 6 . 1 1 102 102 ARG CA C 102 52.820 52.820 53.026 -0.206 18443 3995 1 6 . 1 1 102 102 ARG CB C 102 31.442 31.442 31.802 -0.360 18443 3996 1 6 . 1 1 102 102 ARG H H 102 7.767 7.767 8.451 -0.684 18443 3997 1 6 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.577 -0.026 18443 3998 1 6 . 1 1 103 103 PRO C C 103 177.345 177.345 177.860 -0.515 18443 3999 1 6 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.510 -0.434 18443 4000 1 6 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.604 0.264 18443 4001 1 6 . 1 1 104 104 ARG N N 104 121.205 121.205 121.638 -0.433 18443 4002 1 6 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.950 -0.018 18443 4003 1 6 . 1 1 104 104 ARG C C 104 177.368 177.368 178.001 -0.633 18443 4004 1 6 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.529 1.382 18443 4005 1 6 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.207 0.957 18443 4006 1 6 . 1 1 104 104 ARG H H 104 8.986 8.986 8.716 0.270 18443 4007 1 6 . 1 1 105 105 ALA N N 105 119.508 119.508 121.829 -2.321 18443 4008 1 6 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.140 -0.031 18443 4009 1 6 . 1 1 105 105 ALA C C 105 181.065 181.065 180.168 0.897 18443 4010 1 6 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.983 0.762 18443 4011 1 6 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.875 0.421 18443 4012 1 6 . 1 1 105 105 ALA H H 105 9.033 9.033 8.580 0.453 18443 4013 1 6 . 1 1 106 106 GLU N N 106 117.537 117.537 119.250 -1.713 18443 4014 1 6 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.081 0.048 18443 4015 1 6 . 1 1 106 106 GLU C C 106 178.041 178.041 178.889 -0.848 18443 4016 1 6 . 1 1 106 106 GLU CA C 106 58.793 58.793 59.187 -0.394 18443 4017 1 6 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.410 0.824 18443 4018 1 6 . 1 1 106 106 GLU H H 106 7.201 7.201 7.790 -0.589 18443 4019 1 6 . 1 1 107 107 PHE N N 107 120.721 120.721 121.407 -0.686 18443 4020 1 6 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.079 0.105 18443 4021 1 6 . 1 1 107 107 PHE C C 107 177.235 177.235 177.486 -0.251 18443 4022 1 6 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.874 -0.131 18443 4023 1 6 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.145 0.938 18443 4024 1 6 . 1 1 107 107 PHE H H 107 8.555 8.555 7.898 0.657 18443 4025 1 6 . 1 1 108 108 LEU N N 108 117.219 117.219 119.150 -1.931 18443 4026 1 6 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.761 0.070 18443 4027 1 6 . 1 1 108 108 LEU C C 108 178.406 178.406 178.948 -0.542 18443 4028 1 6 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.097 0.387 18443 4029 1 6 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.264 0.888 18443 4030 1 6 . 1 1 108 108 LEU H H 108 8.364 8.364 9.028 -0.664 18443 4031 1 6 . 1 1 109 109 LYS N N 109 118.680 118.680 119.859 -1.179 18443 4032 1 6 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.860 0.041 18443 4033 1 6 . 1 1 109 109 LYS C C 109 179.696 179.696 179.075 0.621 18443 4034 1 6 . 1 1 109 109 LYS CA C 109 60.182 60.182 60.266 -0.084 18443 4035 1 6 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.247 0.019 18443 4036 1 6 . 1 1 109 109 LYS H H 109 7.330 7.330 7.724 -0.394 18443 4037 1 6 . 1 1 110 110 GLU N N 110 119.802 119.802 118.975 0.827 18443 4038 1 6 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.019 -0.058 18443 4039 1 6 . 1 1 110 110 GLU C C 110 179.903 179.903 178.913 0.990 18443 4040 1 6 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.939 0.185 18443 4041 1 6 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.212 -0.440 18443 4042 1 6 . 1 1 110 110 GLU H H 110 8.077 8.077 7.665 0.412 18443 4043 1 6 . 1 1 111 111 LEU N N 111 120.129 120.129 120.654 -0.525 18443 4044 1 6 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.578 -0.046 18443 4045 1 6 . 1 1 111 111 LEU C C 111 179.792 179.792 178.444 1.348 18443 4046 1 6 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.439 -0.005 18443 4047 1 6 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.197 1.530 18443 4048 1 6 . 1 1 111 111 LEU H H 111 8.341 8.341 8.388 -0.047 18443 4049 1 6 . 1 1 112 112 ARG N N 112 118.350 118.350 119.700 -1.350 18443 4050 1 6 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.895 0.001 18443 4051 1 6 . 1 1 112 112 ARG C C 112 179.446 179.446 178.469 0.977 18443 4052 1 6 . 1 1 112 112 ARG CA C 112 60.323 60.323 59.399 0.924 18443 4053 1 6 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.997 -0.119 18443 4054 1 6 . 1 1 112 112 ARG H H 112 8.166 8.166 8.033 0.133 18443 4055 1 6 . 1 1 113 113 GLN N N 113 118.358 118.358 117.491 0.867 18443 4056 1 6 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.059 0.034 18443 4057 1 6 . 1 1 113 113 GLN C C 113 179.137 179.137 178.756 0.381 18443 4058 1 6 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.286 0.545 18443 4059 1 6 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.256 0.214 18443 4060 1 6 . 1 1 113 113 GLN H H 113 7.842 7.842 7.588 0.254 18443 4061 1 6 . 1 1 114 114 VAL N N 114 120.174 120.174 120.410 -0.236 18443 4062 1 6 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.611 0.040 18443 4063 1 6 . 1 1 114 114 VAL C C 114 177.853 177.853 177.960 -0.107 18443 4064 1 6 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.389 -0.326 18443 4065 1 6 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.975 0.264 18443 4066 1 6 . 1 1 114 114 VAL H H 114 7.947 7.947 8.251 -0.304 18443 4067 1 6 . 1 1 115 115 CYS N N 115 117.549 117.549 117.001 0.548 18443 4068 1 6 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.159 -0.079 18443 4069 1 6 . 1 1 115 115 CYS C C 115 177.204 177.204 177.412 -0.208 18443 4070 1 6 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.705 -0.131 18443 4071 1 6 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.885 -0.128 18443 4072 1 6 . 1 1 115 115 CYS H H 115 7.801 7.801 7.757 0.044 18443 4073 1 6 . 1 1 116 116 VAL N N 116 119.053 119.053 120.494 -1.441 18443 4074 1 6 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.724 0.129 18443 4075 1 6 . 1 1 116 116 VAL C C 116 178.840 178.840 177.401 1.439 18443 4076 1 6 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.576 -0.134 18443 4077 1 6 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.700 0.208 18443 4078 1 6 . 1 1 116 116 VAL H H 116 7.465 7.465 7.165 0.300 18443 4079 1 6 . 1 1 117 117 LYS N N 117 121.003 121.003 119.822 1.181 18443 4080 1 6 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.363 -0.187 18443 4081 1 6 . 1 1 117 117 LYS C C 117 178.689 178.689 178.348 0.341 18443 4082 1 6 . 1 1 117 117 LYS CA C 117 58.555 58.555 58.629 -0.074 18443 4083 1 6 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.908 0.810 18443 4084 1 6 . 1 1 117 117 LYS H H 117 7.915 7.915 7.899 0.016 18443 4085 1 6 . 1 1 118 118 GLY N N 118 106.132 106.132 106.802 -0.670 18443 4086 1 6 . 1 1 118 118 GLY C C 118 174.909 174.909 175.180 -0.271 18443 4087 1 6 . 1 1 118 118 GLY CA C 118 45.964 45.964 45.433 0.531 18443 4088 1 6 . 1 1 118 118 GLY H H 118 8.472 8.472 7.675 0.797 18443 4089 1 6 . 1 1 119 119 GLY N N 119 107.977 107.977 107.319 0.658 18443 4090 1 6 . 1 1 119 119 GLY C C 119 174.631 174.631 173.390 1.241 18443 4091 1 6 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.722 1.244 18443 4092 1 6 . 1 1 119 119 GLY H H 119 7.791 7.791 7.888 -0.097 18443 4093 1 6 . 1 1 120 120 ALA N N 120 123.981 123.981 121.860 2.121 18443 4094 1 6 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.667 -0.254 18443 4095 1 6 . 1 1 120 120 ALA C C 120 178.143 178.143 177.399 0.744 18443 4096 1 6 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.606 0.210 18443 4097 1 6 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.733 -0.631 18443 4098 1 6 . 1 1 120 120 ALA H H 120 8.171 8.171 7.556 0.615 18443 4099 1 6 . 1 1 121 121 CYS N N 121 117.342 117.342 115.745 1.597 18443 4100 1 6 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.215 0.295 18443 4101 1 6 . 1 1 121 121 CYS C C 121 175.318 175.318 175.297 0.021 18443 4102 1 6 . 1 1 121 121 CYS CA C 121 58.974 58.974 60.646 -1.672 18443 4103 1 6 . 1 1 121 121 CYS CB C 121 28.109 28.109 26.214 1.895 18443 4104 1 6 . 1 1 121 121 CYS H H 121 8.200 8.200 8.348 -0.148 18443 4105 1 6 . 1 1 122 122 GLY N N 122 110.351 110.351 109.635 0.716 18443 4106 1 6 . 1 1 122 122 GLY C C 122 174.299 174.299 173.438 0.861 18443 4107 1 6 . 1 1 122 122 GLY CA C 122 45.525 45.525 44.908 0.617 18443 4108 1 6 . 1 1 122 122 GLY H H 122 8.367 8.367 8.291 0.076 18443 4109 1 6 . 1 1 123 123 GLU N N 123 120.589 120.589 122.352 -1.763 18443 4110 1 6 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.284 0.023 18443 4111 1 6 . 1 1 123 123 GLU C C 123 177.296 177.296 176.287 1.009 18443 4112 1 6 . 1 1 123 123 GLU CA C 123 56.830 56.830 55.161 1.669 18443 4113 1 6 . 1 1 123 123 GLU CB C 123 30.461 30.461 28.198 2.263 18443 4114 1 6 . 1 1 123 123 GLU H H 123 8.280 8.280 7.933 0.347 18443 4115 1 6 . 1 1 124 124 GLY N N 124 109.521 109.521 114.554 -5.033 18443 4116 1 6 . 1 1 124 124 GLY C C 124 174.189 174.189 174.159 0.030 18443 4117 1 6 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.639 -0.099 18443 4118 1 6 . 1 1 124 124 GLY H H 124 8.465 8.465 8.389 0.076 18443 4119 1 6 . 1 1 125 125 HIS N N 125 118.418 118.418 120.707 -2.289 18443 4120 1 6 . 1 1 125 125 HIS CA C 125 55.971 55.971 55.354 0.617 18443 4121 1 6 . 1 1 125 125 HIS CB C 125 30.073 30.073 29.014 1.060 18443 4122 1 6 . 1 1 125 125 HIS H H 125 8.244 8.244 8.415 -0.171 18443 4123 1 7 . 1 1 2 2 SER HA H 2 4.050 4.050 4.481 -0.431 18443 4124 1 7 . 1 1 2 2 SER CA C 2 57.351 57.351 58.452 -1.101 18443 4125 1 7 . 1 1 2 2 SER CB C 2 63.259 63.259 64.504 -1.245 18443 4126 1 7 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.837 -0.535 18443 4127 1 7 . 1 1 3 3 LEU C C 3 175.706 175.706 175.230 0.476 18443 4128 1 7 . 1 1 3 3 LEU CA C 3 55.286 55.286 54.028 1.258 18443 4129 1 7 . 1 1 3 3 LEU CB C 3 42.920 42.920 45.525 -2.605 18443 4130 1 7 . 1 1 4 4 ARG N N 4 127.222 127.222 122.605 4.617 18443 4131 1 7 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.377 -0.059 18443 4132 1 7 . 1 1 4 4 ARG C C 4 173.862 173.862 174.905 -1.043 18443 4133 1 7 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.509 0.471 18443 4134 1 7 . 1 1 4 4 ARG CB C 4 31.326 31.326 28.860 2.466 18443 4135 1 7 . 1 1 4 4 ARG H H 4 8.502 8.502 8.287 0.215 18443 4136 1 7 . 1 1 5 5 TRP N N 5 123.052 123.052 125.881 -2.829 18443 4137 1 7 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.100 -0.100 18443 4138 1 7 . 1 1 5 5 TRP C C 5 176.309 176.309 176.314 -0.005 18443 4139 1 7 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.565 -0.884 18443 4140 1 7 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.787 1.103 18443 4141 1 7 . 1 1 5 5 TRP H H 5 8.184 8.184 8.161 0.023 18443 4142 1 7 . 1 1 6 6 TYR N N 6 120.957 120.957 124.105 -3.148 18443 4143 1 7 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.960 0.019 18443 4144 1 7 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.971 1.214 18443 4145 1 7 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.665 0.672 18443 4146 1 7 . 1 1 6 6 TYR H H 6 8.818 8.818 9.185 -0.367 18443 4147 1 7 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.539 0.371 18443 4148 1 7 . 1 1 7 7 PRO C C 7 177.869 177.869 177.439 0.430 18443 4149 1 7 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.857 -0.279 18443 4150 1 7 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.675 0.270 18443 4151 1 7 . 1 1 8 8 TYR N N 8 122.256 122.256 122.685 -0.429 18443 4152 1 7 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.062 -0.019 18443 4153 1 7 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.338 -0.264 18443 4154 1 7 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.089 0.765 18443 4155 1 7 . 1 1 8 8 TYR H H 8 9.408 9.408 9.194 0.214 18443 4156 1 7 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.151 -0.109 18443 4157 1 7 . 1 1 9 9 PRO C C 9 180.472 180.472 178.693 1.779 18443 4158 1 7 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.094 0.292 18443 4159 1 7 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.181 -0.655 18443 4160 1 7 . 1 1 10 10 GLU N N 10 118.047 118.047 118.840 -0.793 18443 4161 1 7 . 1 1 10 10 GLU HA H 10 4.054 4.054 3.984 0.070 18443 4162 1 7 . 1 1 10 10 GLU C C 10 178.293 178.293 178.756 -0.463 18443 4163 1 7 . 1 1 10 10 GLU CA C 10 59.030 59.030 60.156 -1.126 18443 4164 1 7 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.035 1.274 18443 4165 1 7 . 1 1 10 10 GLU H H 10 7.093 7.093 8.639 -1.546 18443 4166 1 7 . 1 1 11 11 ALA N N 11 121.740 121.740 122.296 -0.556 18443 4167 1 7 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.916 -0.295 18443 4168 1 7 . 1 1 11 11 ALA C C 11 178.890 178.890 179.438 -0.548 18443 4169 1 7 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.327 -0.808 18443 4170 1 7 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.492 0.553 18443 4171 1 7 . 1 1 11 11 ALA H H 11 8.447 8.447 8.615 -0.168 18443 4172 1 7 . 1 1 12 12 LEU N N 12 115.622 115.622 119.203 -3.581 18443 4173 1 7 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.770 -0.319 18443 4174 1 7 . 1 1 12 12 LEU C C 12 179.331 179.331 179.072 0.259 18443 4175 1 7 . 1 1 12 12 LEU CA C 12 58.523 58.523 58.174 0.349 18443 4176 1 7 . 1 1 12 12 LEU CB C 12 40.445 40.445 41.129 -0.684 18443 4177 1 7 . 1 1 12 12 LEU H H 12 7.354 7.354 7.590 -0.236 18443 4178 1 7 . 1 1 13 13 ALA N N 13 120.240 120.240 122.398 -2.158 18443 4179 1 7 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.205 -0.030 18443 4180 1 7 . 1 1 13 13 ALA C C 13 181.630 181.630 179.842 1.788 18443 4181 1 7 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.111 0.214 18443 4182 1 7 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.349 -0.194 18443 4183 1 7 . 1 1 13 13 ALA H H 13 7.201 7.201 8.024 -0.823 18443 4184 1 7 . 1 1 14 14 LEU N N 14 120.757 120.757 120.832 -0.075 18443 4185 1 7 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.770 0.317 18443 4186 1 7 . 1 1 14 14 LEU C C 14 179.635 179.635 178.992 0.643 18443 4187 1 7 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.352 0.336 18443 4188 1 7 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.507 2.285 18443 4189 1 7 . 1 1 14 14 LEU H H 14 8.202 8.202 8.542 -0.340 18443 4190 1 7 . 1 1 15 15 ALA N N 15 121.483 121.483 120.076 1.407 18443 4191 1 7 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.945 -0.071 18443 4192 1 7 . 1 1 15 15 ALA C C 15 180.839 180.839 179.745 1.094 18443 4193 1 7 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.091 1.157 18443 4194 1 7 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.463 1.173 18443 4195 1 7 . 1 1 15 15 ALA H H 15 8.594 8.594 8.134 0.460 18443 4196 1 7 . 1 1 16 16 GLN N N 16 117.131 117.131 120.496 -3.365 18443 4197 1 7 . 1 1 16 16 GLN HA H 16 3.969 3.969 3.976 -0.007 18443 4198 1 7 . 1 1 16 16 GLN C C 16 178.701 178.701 178.473 0.228 18443 4199 1 7 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.914 0.238 18443 4200 1 7 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.740 0.139 18443 4201 1 7 . 1 1 16 16 GLN H H 16 8.609 8.609 8.513 0.096 18443 4202 1 7 . 1 1 17 17 ALA N N 17 120.088 120.088 120.424 -0.336 18443 4203 1 7 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.301 -0.182 18443 4204 1 7 . 1 1 17 17 ALA C C 17 179.305 179.305 178.051 1.254 18443 4205 1 7 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.936 0.683 18443 4206 1 7 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.804 -0.541 18443 4207 1 7 . 1 1 17 17 ALA H H 17 7.635 7.635 8.156 -0.521 18443 4208 1 7 . 1 1 18 18 HIS N N 18 111.636 111.636 114.699 -3.063 18443 4209 1 7 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.652 0.160 18443 4210 1 7 . 1 1 18 18 HIS C C 18 175.021 175.021 175.413 -0.392 18443 4211 1 7 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.020 0.517 18443 4212 1 7 . 1 1 18 18 HIS CB C 18 31.211 31.211 30.727 0.484 18443 4213 1 7 . 1 1 18 18 HIS H H 18 7.728 7.728 7.451 0.277 18443 4214 1 7 . 1 1 19 19 GLY N N 19 111.899 111.899 108.547 3.352 18443 4215 1 7 . 1 1 19 19 GLY C C 19 175.071 175.071 174.322 0.749 18443 4216 1 7 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.735 1.920 18443 4217 1 7 . 1 1 19 19 GLY H H 19 7.886 7.886 8.073 -0.187 18443 4218 1 7 . 1 1 20 20 ARG N N 20 118.442 118.442 119.067 -0.625 18443 4219 1 7 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.496 0.115 18443 4220 1 7 . 1 1 20 20 ARG C C 20 174.586 174.586 175.489 -0.903 18443 4221 1 7 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.804 0.708 18443 4222 1 7 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.364 1.911 18443 4223 1 7 . 1 1 20 20 ARG H H 20 8.239 8.239 8.186 0.053 18443 4224 1 7 . 1 1 21 21 MET N N 21 115.457 115.457 117.932 -2.475 18443 4225 1 7 . 1 1 21 21 MET HA H 21 4.870 4.870 4.675 0.195 18443 4226 1 7 . 1 1 21 21 MET C C 21 175.707 175.707 175.144 0.563 18443 4227 1 7 . 1 1 21 21 MET CA C 21 56.111 56.111 55.267 0.844 18443 4228 1 7 . 1 1 21 21 MET CB C 21 35.717 35.717 35.230 0.487 18443 4229 1 7 . 1 1 21 21 MET H H 21 7.193 7.193 8.684 -1.491 18443 4230 1 7 . 1 1 22 22 VAL N N 22 119.607 119.607 120.575 -0.968 18443 4231 1 7 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.599 0.711 18443 4232 1 7 . 1 1 22 22 VAL C C 22 176.506 176.506 174.680 1.826 18443 4233 1 7 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.790 -1.361 18443 4234 1 7 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.885 2.773 18443 4235 1 7 . 1 1 22 22 VAL H H 22 9.034 9.034 9.076 -0.042 18443 4236 1 7 . 1 1 23 23 MET N N 23 126.309 126.309 128.612 -2.303 18443 4237 1 7 . 1 1 23 23 MET HA H 23 4.878 4.878 4.635 0.243 18443 4238 1 7 . 1 1 23 23 MET C C 23 173.960 173.960 174.079 -0.119 18443 4239 1 7 . 1 1 23 23 MET CA C 23 54.184 54.184 54.111 0.073 18443 4240 1 7 . 1 1 23 23 MET CB C 23 36.920 36.920 34.301 2.619 18443 4241 1 7 . 1 1 23 23 MET H H 23 8.704 8.704 9.177 -0.473 18443 4242 1 7 . 1 1 24 24 VAL N N 24 128.959 128.959 129.044 -0.085 18443 4243 1 7 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.992 0.346 18443 4244 1 7 . 1 1 24 24 VAL C C 24 174.245 174.245 174.038 0.207 18443 4245 1 7 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.964 -0.211 18443 4246 1 7 . 1 1 24 24 VAL CB C 24 31.821 31.821 30.375 1.446 18443 4247 1 7 . 1 1 24 24 VAL H H 24 9.908 9.908 9.043 0.865 18443 4248 1 7 . 1 1 25 25 TYR N N 25 129.726 129.726 130.761 -1.035 18443 4249 1 7 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.958 0.269 18443 4250 1 7 . 1 1 25 25 TYR C C 25 173.393 173.393 173.970 -0.577 18443 4251 1 7 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.880 -2.797 18443 4252 1 7 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.512 0.006 18443 4253 1 7 . 1 1 25 25 TYR H H 25 9.031 9.031 8.945 0.086 18443 4254 1 7 . 1 1 26 26 PHE N N 26 126.719 126.719 127.520 -0.801 18443 4255 1 7 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.849 0.246 18443 4256 1 7 . 1 1 26 26 PHE C C 26 174.151 174.151 175.163 -1.012 18443 4257 1 7 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.616 -0.178 18443 4258 1 7 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.797 0.827 18443 4259 1 7 . 1 1 26 26 PHE H H 26 9.162 9.162 9.027 0.135 18443 4260 1 7 . 1 1 27 27 HIS N N 27 118.311 118.311 120.401 -2.090 18443 4261 1 7 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.258 -0.096 18443 4262 1 7 . 1 1 27 27 HIS C C 27 173.044 173.044 173.947 -0.903 18443 4263 1 7 . 1 1 27 27 HIS CA C 27 53.460 53.460 52.940 0.520 18443 4264 1 7 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.159 1.929 18443 4265 1 7 . 1 1 27 27 HIS H H 27 8.168 8.168 9.184 -1.016 18443 4266 1 7 . 1 1 28 28 SER N N 28 112.150 112.150 114.149 -1.999 18443 4267 1 7 . 1 1 28 28 SER HA H 28 4.790 4.790 5.237 -0.447 18443 4268 1 7 . 1 1 28 28 SER C C 28 176.815 176.815 174.322 2.493 18443 4269 1 7 . 1 1 28 28 SER CA C 28 56.260 56.260 55.303 0.957 18443 4270 1 7 . 1 1 28 28 SER CB C 28 65.470 65.470 65.463 0.007 18443 4271 1 7 . 1 1 28 28 SER H H 28 7.545 7.545 8.537 -0.992 18443 4272 1 7 . 1 1 29 29 GLU N N 29 130.603 130.603 125.181 5.422 18443 4273 1 7 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.259 -0.159 18443 4274 1 7 . 1 1 29 29 GLU C C 29 176.980 176.980 177.253 -0.273 18443 4275 1 7 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.394 1.276 18443 4276 1 7 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.323 0.316 18443 4277 1 7 . 1 1 29 29 GLU H H 29 9.681 9.681 8.797 0.884 18443 4278 1 7 . 1 1 30 30 HIS N N 30 114.752 114.752 116.926 -2.174 18443 4279 1 7 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.533 0.161 18443 4280 1 7 . 1 1 30 30 HIS C C 30 173.679 173.679 175.786 -2.107 18443 4281 1 7 . 1 1 30 30 HIS CA C 30 54.393 54.393 56.993 -2.600 18443 4282 1 7 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.993 -0.621 18443 4283 1 7 . 1 1 30 30 HIS H H 30 8.226 8.226 7.788 0.438 18443 4284 1 7 . 1 1 31 31 CYS N N 31 124.685 124.685 121.694 2.991 18443 4285 1 7 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.905 0.041 18443 4286 1 7 . 1 1 31 31 CYS C C 31 175.771 175.771 173.697 2.074 18443 4287 1 7 . 1 1 31 31 CYS CA C 31 56.116 56.116 54.905 1.211 18443 4288 1 7 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.557 2.858 18443 4289 1 7 . 1 1 31 31 CYS H H 31 7.091 7.091 7.598 -0.507 18443 4290 1 7 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.530 -0.196 18443 4291 1 7 . 1 1 32 32 PRO C C 32 179.352 179.352 175.530 3.822 18443 4292 1 7 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.220 0.973 18443 4293 1 7 . 1 1 32 32 PRO CB C 32 32.072 32.072 30.877 1.196 18443 4294 1 7 . 1 1 33 33 TYR N N 33 125.092 125.092 119.459 5.633 18443 4295 1 7 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.395 0.100 18443 4296 1 7 . 1 1 33 33 TYR C C 33 179.457 179.457 177.045 2.412 18443 4297 1 7 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.994 -0.114 18443 4298 1 7 . 1 1 33 33 TYR CB C 33 38.345 38.345 39.803 -1.458 18443 4299 1 7 . 1 1 33 33 TYR H H 33 8.621 8.621 7.453 1.168 18443 4300 1 7 . 1 1 34 34 CYS N N 34 127.272 127.272 117.184 10.088 18443 4301 1 7 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.310 0.025 18443 4302 1 7 . 1 1 34 34 CYS C C 34 176.672 176.672 176.299 0.373 18443 4303 1 7 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.410 3.749 18443 4304 1 7 . 1 1 34 34 CYS CB C 34 28.877 28.877 28.179 0.698 18443 4305 1 7 . 1 1 34 34 CYS H H 34 9.440 9.440 7.738 1.702 18443 4306 1 7 . 1 1 35 35 GLN N N 35 118.373 118.373 120.916 -2.543 18443 4307 1 7 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.828 0.231 18443 4308 1 7 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.974 0.400 18443 4309 1 7 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.293 0.283 18443 4310 1 7 . 1 1 35 35 GLN H H 35 7.866 7.866 8.716 -0.850 18443 4311 1 7 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.167 0.079 18443 4312 1 7 . 1 1 36 36 GLN C C 36 178.881 178.881 178.400 0.481 18443 4313 1 7 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.654 0.972 18443 4314 1 7 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.128 0.477 18443 4315 1 7 . 1 1 37 37 MET N N 37 117.759 117.759 119.296 -1.537 18443 4316 1 7 . 1 1 37 37 MET HA H 37 4.488 4.488 4.237 0.251 18443 4317 1 7 . 1 1 37 37 MET C C 37 179.838 179.838 178.070 1.768 18443 4318 1 7 . 1 1 37 37 MET CA C 37 57.229 57.229 58.916 -1.687 18443 4319 1 7 . 1 1 37 37 MET CB C 37 29.983 29.983 32.534 -2.551 18443 4320 1 7 . 1 1 37 37 MET H H 37 8.125 8.125 7.654 0.471 18443 4321 1 7 . 1 1 38 38 ASN N N 38 122.249 122.249 117.926 4.323 18443 4322 1 7 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.431 -0.069 18443 4323 1 7 . 1 1 38 38 ASN C C 38 177.355 177.355 177.244 0.111 18443 4324 1 7 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.691 -0.256 18443 4325 1 7 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.715 -1.203 18443 4326 1 7 . 1 1 38 38 ASN H H 38 9.245 9.245 8.785 0.460 18443 4327 1 7 . 1 1 39 39 THR N N 39 113.554 113.554 115.093 -1.539 18443 4328 1 7 . 1 1 39 39 THR HA H 39 3.853 3.853 3.828 0.025 18443 4329 1 7 . 1 1 39 39 THR C C 39 176.277 176.277 175.381 0.896 18443 4330 1 7 . 1 1 39 39 THR CA C 39 65.843 65.843 65.786 0.057 18443 4331 1 7 . 1 1 39 39 THR CB C 39 69.595 69.595 68.753 0.842 18443 4332 1 7 . 1 1 39 39 THR H H 39 8.034 8.034 7.432 0.602 18443 4333 1 7 . 1 1 40 40 PHE N N 40 116.394 116.394 117.506 -1.112 18443 4334 1 7 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.497 0.323 18443 4335 1 7 . 1 1 40 40 PHE C C 40 176.255 176.255 177.428 -1.173 18443 4336 1 7 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.738 -1.023 18443 4337 1 7 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.193 1.692 18443 4338 1 7 . 1 1 40 40 PHE H H 40 8.309 8.309 7.318 0.991 18443 4339 1 7 . 1 1 41 41 VAL N N 41 117.246 117.246 118.591 -1.345 18443 4340 1 7 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.776 0.530 18443 4341 1 7 . 1 1 41 41 VAL C C 41 176.704 176.704 177.545 -0.841 18443 4342 1 7 . 1 1 41 41 VAL CA C 41 65.839 65.839 65.984 -0.145 18443 4343 1 7 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.496 2.143 18443 4344 1 7 . 1 1 41 41 VAL H H 41 7.678 7.678 7.683 -0.005 18443 4345 1 7 . 1 1 42 42 LEU N N 42 117.179 117.179 117.829 -0.650 18443 4346 1 7 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.072 -0.124 18443 4347 1 7 . 1 1 42 42 LEU C C 42 175.837 175.837 177.915 -2.078 18443 4348 1 7 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.676 0.620 18443 4349 1 7 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.516 -1.401 18443 4350 1 7 . 1 1 42 42 LEU H H 42 8.882 8.882 8.284 0.598 18443 4351 1 7 . 1 1 43 43 SER N N 43 105.494 105.494 113.507 -8.013 18443 4352 1 7 . 1 1 43 43 SER HA H 43 4.408 4.408 4.411 -0.003 18443 4353 1 7 . 1 1 43 43 SER C C 43 175.397 175.397 174.854 0.543 18443 4354 1 7 . 1 1 43 43 SER CA C 43 57.144 57.144 57.996 -0.852 18443 4355 1 7 . 1 1 43 43 SER CB C 43 64.117 64.117 62.713 1.404 18443 4356 1 7 . 1 1 43 43 SER H H 43 6.785 6.785 7.403 -0.618 18443 4357 1 7 . 1 1 44 44 ASP N N 44 126.617 126.617 123.777 2.840 18443 4358 1 7 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.648 0.163 18443 4359 1 7 . 1 1 44 44 ASP C C 44 175.644 175.644 175.364 0.280 18443 4360 1 7 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.391 -0.718 18443 4361 1 7 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.250 1.423 18443 4362 1 7 . 1 1 44 44 ASP H H 44 7.443 7.443 7.378 0.065 18443 4363 1 7 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.202 0.150 18443 4364 1 7 . 1 1 45 45 PRO C C 45 178.792 178.792 178.243 0.549 18443 4365 1 7 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.376 0.383 18443 4366 1 7 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.988 0.351 18443 4367 1 7 . 1 1 46 46 GLY N N 46 107.270 107.270 105.776 1.494 18443 4368 1 7 . 1 1 46 46 GLY C C 46 176.799 176.799 176.229 0.570 18443 4369 1 7 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.810 0.218 18443 4370 1 7 . 1 1 46 46 GLY H H 46 8.161 8.161 8.222 -0.061 18443 4371 1 7 . 1 1 47 47 VAL N N 47 124.473 124.473 122.689 1.784 18443 4372 1 7 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.635 -0.040 18443 4373 1 7 . 1 1 47 47 VAL C C 47 177.886 177.886 178.331 -0.445 18443 4374 1 7 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.777 -0.277 18443 4375 1 7 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.601 0.824 18443 4376 1 7 . 1 1 47 47 VAL H H 47 8.344 8.344 8.782 -0.438 18443 4377 1 7 . 1 1 48 48 SER N N 48 113.807 113.807 115.697 -1.890 18443 4378 1 7 . 1 1 48 48 SER HA H 48 4.053 4.053 4.172 -0.119 18443 4379 1 7 . 1 1 48 48 SER C C 48 176.889 176.889 176.774 0.115 18443 4380 1 7 . 1 1 48 48 SER CA C 48 62.777 62.777 61.728 1.049 18443 4381 1 7 . 1 1 48 48 SER CB C 48 62.884 62.884 62.670 0.214 18443 4382 1 7 . 1 1 48 48 SER H H 48 9.023 9.023 8.752 0.271 18443 4383 1 7 . 1 1 49 49 ARG N N 49 119.875 119.875 122.349 -2.474 18443 4384 1 7 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.103 0.061 18443 4385 1 7 . 1 1 49 49 ARG C C 49 179.398 179.398 178.801 0.597 18443 4386 1 7 . 1 1 49 49 ARG CA C 49 59.558 59.558 58.848 0.710 18443 4387 1 7 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.668 0.579 18443 4388 1 7 . 1 1 49 49 ARG H H 49 8.081 8.081 7.662 0.419 18443 4389 1 7 . 1 1 50 50 LEU N N 50 121.717 121.717 119.592 2.125 18443 4390 1 7 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.018 0.361 18443 4391 1 7 . 1 1 50 50 LEU C C 50 179.482 179.482 178.457 1.025 18443 4392 1 7 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.665 0.541 18443 4393 1 7 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.855 -0.020 18443 4394 1 7 . 1 1 50 50 LEU H H 50 7.291 7.291 7.571 -0.280 18443 4395 1 7 . 1 1 51 51 LEU N N 51 118.677 118.677 118.278 0.399 18443 4396 1 7 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.054 0.236 18443 4397 1 7 . 1 1 51 51 LEU C C 51 179.233 179.233 179.117 0.116 18443 4398 1 7 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.715 0.628 18443 4399 1 7 . 1 1 51 51 LEU CB C 51 42.386 42.386 41.822 0.564 18443 4400 1 7 . 1 1 51 51 LEU H H 51 8.358 8.358 7.528 0.830 18443 4401 1 7 . 1 1 52 52 GLU N N 52 116.437 116.437 118.364 -1.927 18443 4402 1 7 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.959 0.209 18443 4403 1 7 . 1 1 52 52 GLU C C 52 178.898 178.898 178.702 0.196 18443 4404 1 7 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.218 -0.225 18443 4405 1 7 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.295 0.910 18443 4406 1 7 . 1 1 52 52 GLU H H 52 8.715 8.715 8.680 0.035 18443 4407 1 7 . 1 1 53 53 ALA N N 53 119.092 119.092 119.896 -0.804 18443 4408 1 7 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.164 0.263 18443 4409 1 7 . 1 1 53 53 ALA C C 53 180.298 180.298 178.398 1.900 18443 4410 1 7 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.727 -0.164 18443 4411 1 7 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.310 0.908 18443 4412 1 7 . 1 1 53 53 ALA H H 53 7.782 7.782 7.698 0.084 18443 4413 1 7 . 1 1 54 54 ARG N N 54 111.562 111.562 112.692 -1.130 18443 4414 1 7 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.479 0.176 18443 4415 1 7 . 1 1 54 54 ARG C C 54 175.560 175.560 174.541 1.019 18443 4416 1 7 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.222 -0.191 18443 4417 1 7 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.616 2.721 18443 4418 1 7 . 1 1 54 54 ARG H H 54 7.740 7.740 7.786 -0.046 18443 4419 1 7 . 1 1 55 55 PHE N N 55 117.038 117.038 120.843 -3.805 18443 4420 1 7 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.389 0.273 18443 4421 1 7 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.878 -0.050 18443 4422 1 7 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.386 0.896 18443 4423 1 7 . 1 1 55 55 PHE H H 55 8.555 8.555 8.634 -0.079 18443 4424 1 7 . 1 1 56 56 VAL N N 56 121.038 121.038 123.550 -2.512 18443 4425 1 7 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.361 -0.036 18443 4426 1 7 . 1 1 56 56 VAL C C 56 175.305 175.305 174.922 0.383 18443 4427 1 7 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.011 1.935 18443 4428 1 7 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.593 1.912 18443 4429 1 7 . 1 1 56 56 VAL H H 56 8.817 8.817 9.388 -0.571 18443 4430 1 7 . 1 1 57 57 VAL N N 57 125.781 125.781 128.613 -2.832 18443 4431 1 7 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.326 0.650 18443 4432 1 7 . 1 1 57 57 VAL C C 57 174.535 174.535 174.670 -0.135 18443 4433 1 7 . 1 1 57 57 VAL CA C 57 61.390 61.390 60.851 0.539 18443 4434 1 7 . 1 1 57 57 VAL CB C 57 32.936 32.936 30.811 2.125 18443 4435 1 7 . 1 1 57 57 VAL H H 57 9.498 9.498 8.157 1.341 18443 4436 1 7 . 1 1 58 58 ALA N N 58 128.137 128.137 131.458 -3.321 18443 4437 1 7 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.702 -0.081 18443 4438 1 7 . 1 1 58 58 ALA C C 58 175.953 175.953 177.604 -1.651 18443 4439 1 7 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.835 -1.071 18443 4440 1 7 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.525 1.190 18443 4441 1 7 . 1 1 58 58 ALA H H 58 9.062 9.062 9.274 -0.212 18443 4442 1 7 . 1 1 59 59 SER N N 59 117.343 117.343 122.320 -4.977 18443 4443 1 7 . 1 1 59 59 SER HA H 59 4.693 4.693 4.981 -0.288 18443 4444 1 7 . 1 1 59 59 SER C C 59 174.092 174.092 174.236 -0.144 18443 4445 1 7 . 1 1 59 59 SER CA C 59 56.135 56.135 58.377 -2.242 18443 4446 1 7 . 1 1 59 59 SER CB C 59 63.731 63.731 63.131 0.600 18443 4447 1 7 . 1 1 59 59 SER H H 59 8.676 8.676 8.863 -0.187 18443 4448 1 7 . 1 1 60 60 VAL N N 60 129.829 129.829 127.581 2.248 18443 4449 1 7 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.371 -0.442 18443 4450 1 7 . 1 1 60 60 VAL C C 60 172.999 172.999 174.608 -1.609 18443 4451 1 7 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.081 0.441 18443 4452 1 7 . 1 1 60 60 VAL CB C 60 33.335 33.335 34.056 -0.721 18443 4453 1 7 . 1 1 60 60 VAL H H 60 8.716 8.716 8.853 -0.137 18443 4454 1 7 . 1 1 61 61 SER N N 61 119.457 119.457 122.533 -3.076 18443 4455 1 7 . 1 1 61 61 SER HA H 61 4.211 4.211 4.230 -0.019 18443 4456 1 7 . 1 1 61 61 SER C C 61 178.511 178.511 175.389 3.122 18443 4457 1 7 . 1 1 61 61 SER CA C 61 55.404 55.404 56.907 -1.504 18443 4458 1 7 . 1 1 61 61 SER CB C 61 63.080 63.080 63.488 -0.408 18443 4459 1 7 . 1 1 61 61 SER H H 61 8.250 8.250 8.776 -0.526 18443 4460 1 7 . 1 1 62 62 VAL N N 62 123.331 123.331 123.858 -0.527 18443 4461 1 7 . 1 1 62 62 VAL HA H 62 4.041 4.041 4.042 -0.001 18443 4462 1 7 . 1 1 62 62 VAL C C 62 174.434 174.434 175.818 -1.384 18443 4463 1 7 . 1 1 62 62 VAL CA C 62 62.777 62.777 63.434 -0.657 18443 4464 1 7 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.092 -1.225 18443 4465 1 7 . 1 1 62 62 VAL H H 62 8.954 8.954 8.874 0.080 18443 4466 1 7 . 1 1 63 63 ASP N N 63 119.953 119.953 117.264 2.689 18443 4467 1 7 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.676 0.043 18443 4468 1 7 . 1 1 63 63 ASP C C 63 175.930 175.930 175.930 0.000 18443 4469 1 7 . 1 1 63 63 ASP CA C 63 54.930 54.930 54.548 0.382 18443 4470 1 7 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.729 -0.511 18443 4471 1 7 . 1 1 63 63 ASP H H 63 7.966 7.966 8.090 -0.124 18443 4472 1 7 . 1 1 64 64 THR N N 64 108.822 108.822 109.682 -0.860 18443 4473 1 7 . 1 1 64 64 THR HA H 64 4.963 4.963 4.805 0.158 18443 4474 1 7 . 1 1 64 64 THR C C 64 173.012 173.012 173.724 -0.712 18443 4475 1 7 . 1 1 64 64 THR CA C 64 58.176 58.176 58.495 -0.319 18443 4476 1 7 . 1 1 64 64 THR CB C 64 70.326 70.326 71.179 -0.853 18443 4477 1 7 . 1 1 64 64 THR H H 64 7.315 7.315 7.042 0.273 18443 4478 1 7 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.444 -0.156 18443 4479 1 7 . 1 1 65 65 PRO C C 65 180.307 180.307 178.500 1.807 18443 4480 1 7 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.719 0.123 18443 4481 1 7 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.733 0.228 18443 4482 1 7 . 1 1 66 66 GLU N N 66 118.398 118.398 117.724 0.674 18443 4483 1 7 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.122 0.039 18443 4484 1 7 . 1 1 66 66 GLU C C 66 179.940 179.940 178.955 0.985 18443 4485 1 7 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.553 0.386 18443 4486 1 7 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.809 1.062 18443 4487 1 7 . 1 1 66 66 GLU H H 66 9.304 9.304 8.876 0.428 18443 4488 1 7 . 1 1 67 67 GLY N N 67 110.592 110.592 108.087 2.505 18443 4489 1 7 . 1 1 67 67 GLY C C 67 176.529 176.529 176.354 0.175 18443 4490 1 7 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.353 0.511 18443 4491 1 7 . 1 1 67 67 GLY H H 67 8.172 8.172 8.051 0.121 18443 4492 1 7 . 1 1 68 68 GLN N N 68 121.948 121.948 121.120 0.828 18443 4493 1 7 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.941 0.072 18443 4494 1 7 . 1 1 68 68 GLN C C 68 179.366 179.366 178.402 0.964 18443 4495 1 7 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.861 0.330 18443 4496 1 7 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.636 -0.702 18443 4497 1 7 . 1 1 68 68 GLN H H 68 8.504 8.504 8.740 -0.236 18443 4498 1 7 . 1 1 69 69 GLU N N 69 120.280 120.280 120.867 -0.587 18443 4499 1 7 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.082 0.088 18443 4500 1 7 . 1 1 69 69 GLU C C 69 179.360 179.360 178.693 0.667 18443 4501 1 7 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.933 0.557 18443 4502 1 7 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.233 -0.302 18443 4503 1 7 . 1 1 69 69 GLU H H 69 7.815 7.815 8.301 -0.486 18443 4504 1 7 . 1 1 70 70 LEU N N 70 121.041 121.041 120.491 0.550 18443 4505 1 7 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.069 0.047 18443 4506 1 7 . 1 1 70 70 LEU C C 70 178.961 178.961 178.480 0.481 18443 4507 1 7 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.608 0.585 18443 4508 1 7 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.661 1.065 18443 4509 1 7 . 1 1 70 70 LEU H H 70 7.758 7.758 7.705 0.053 18443 4510 1 7 . 1 1 71 71 ALA N N 71 122.094 122.094 121.585 0.509 18443 4511 1 7 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.835 -0.262 18443 4512 1 7 . 1 1 71 71 ALA C C 71 179.966 179.966 179.771 0.195 18443 4513 1 7 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.096 -0.058 18443 4514 1 7 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.078 -0.659 18443 4515 1 7 . 1 1 71 71 ALA H H 71 8.745 8.745 8.418 0.327 18443 4516 1 7 . 1 1 72 72 ARG N N 72 118.463 118.463 117.412 1.051 18443 4517 1 7 . 1 1 72 72 ARG HA H 72 4.121 4.121 3.968 0.153 18443 4518 1 7 . 1 1 72 72 ARG C C 72 180.905 180.905 177.875 3.030 18443 4519 1 7 . 1 1 72 72 ARG CA C 72 59.524 59.524 59.018 0.506 18443 4520 1 7 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.021 0.281 18443 4521 1 7 . 1 1 72 72 ARG H H 72 7.862 7.862 7.624 0.238 18443 4522 1 7 . 1 1 73 73 ARG N N 73 122.223 122.223 118.770 3.453 18443 4523 1 7 . 1 1 73 73 ARG HA H 73 3.958 3.958 3.959 -0.001 18443 4524 1 7 . 1 1 73 73 ARG C C 73 178.562 178.562 177.872 0.690 18443 4525 1 7 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.687 0.851 18443 4526 1 7 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.335 -0.144 18443 4527 1 7 . 1 1 73 73 ARG H H 73 8.189 8.189 7.542 0.647 18443 4528 1 7 . 1 1 74 74 TYR N N 74 114.319 114.319 115.085 -0.766 18443 4529 1 7 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.514 -0.113 18443 4530 1 7 . 1 1 74 74 TYR C C 74 174.321 174.321 175.291 -0.970 18443 4531 1 7 . 1 1 74 74 TYR CA C 74 59.784 59.784 58.371 1.413 18443 4532 1 7 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.915 0.349 18443 4533 1 7 . 1 1 74 74 TYR H H 74 8.047 8.047 7.606 0.441 18443 4534 1 7 . 1 1 75 75 ARG N N 75 119.572 119.572 116.487 3.085 18443 4535 1 7 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.917 -0.048 18443 4536 1 7 . 1 1 75 75 ARG C C 75 175.880 175.880 174.841 1.039 18443 4537 1 7 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.683 0.157 18443 4538 1 7 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.019 -0.511 18443 4539 1 7 . 1 1 75 75 ARG H H 75 7.865 7.865 7.580 0.285 18443 4540 1 7 . 1 1 76 76 VAL N N 76 119.885 119.885 119.566 0.319 18443 4541 1 7 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.052 -0.261 18443 4542 1 7 . 1 1 76 76 VAL C C 76 176.374 176.374 174.469 1.905 18443 4543 1 7 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.554 1.202 18443 4544 1 7 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.081 -0.168 18443 4545 1 7 . 1 1 76 76 VAL H H 76 8.024 8.024 7.927 0.097 18443 4546 1 7 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.453 -0.056 18443 4547 1 7 . 1 1 77 77 PRO C C 77 175.829 175.829 176.608 -0.779 18443 4548 1 7 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.515 0.947 18443 4549 1 7 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.484 -0.728 18443 4550 1 7 . 1 1 78 78 GLY N N 78 105.453 105.453 106.771 -1.318 18443 4551 1 7 . 1 1 78 78 GLY C C 78 171.794 171.794 174.287 -2.493 18443 4552 1 7 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.391 -0.782 18443 4553 1 7 . 1 1 78 78 GLY H H 78 6.725 6.725 8.752 -2.027 18443 4554 1 7 . 1 1 79 79 THR N N 79 110.056 110.056 113.135 -3.079 18443 4555 1 7 . 1 1 79 79 THR HA H 79 4.886 4.886 4.499 0.387 18443 4556 1 7 . 1 1 79 79 THR CA C 79 57.957 57.957 60.636 -2.679 18443 4557 1 7 . 1 1 79 79 THR CB C 79 70.685 70.685 70.112 0.573 18443 4558 1 7 . 1 1 79 79 THR H H 79 8.771 8.771 7.611 1.160 18443 4559 1 7 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.731 0.348 18443 4560 1 7 . 1 1 80 80 PRO C C 80 176.536 176.536 175.251 1.285 18443 4561 1 7 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.786 0.773 18443 4562 1 7 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.225 3.446 18443 4563 1 7 . 1 1 81 81 THR N N 81 116.755 116.755 121.059 -4.304 18443 4564 1 7 . 1 1 81 81 THR HA H 81 5.425 5.425 4.959 0.466 18443 4565 1 7 . 1 1 81 81 THR C C 81 171.960 171.960 173.353 -1.393 18443 4566 1 7 . 1 1 81 81 THR CA C 81 63.540 63.540 61.980 1.560 18443 4567 1 7 . 1 1 81 81 THR CB C 81 71.840 71.840 70.770 1.070 18443 4568 1 7 . 1 1 81 81 THR H H 81 8.176 8.176 8.001 0.175 18443 4569 1 7 . 1 1 82 82 PHE N N 82 126.263 126.263 127.148 -0.885 18443 4570 1 7 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.120 0.516 18443 4571 1 7 . 1 1 82 82 PHE C C 82 174.738 174.738 174.840 -0.102 18443 4572 1 7 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.198 -0.428 18443 4573 1 7 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.236 1.044 18443 4574 1 7 . 1 1 82 82 PHE H H 82 9.540 9.540 9.474 0.066 18443 4575 1 7 . 1 1 83 83 VAL N N 83 123.703 123.703 123.799 -0.096 18443 4576 1 7 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.679 -0.138 18443 4577 1 7 . 1 1 83 83 VAL C C 83 174.159 174.159 174.821 -0.662 18443 4578 1 7 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.345 0.684 18443 4579 1 7 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.114 1.992 18443 4580 1 7 . 1 1 83 83 VAL H H 83 9.208 9.208 8.899 0.309 18443 4581 1 7 . 1 1 84 84 PHE N N 84 126.003 126.003 127.937 -1.934 18443 4582 1 7 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.495 0.315 18443 4583 1 7 . 1 1 84 84 PHE C C 84 175.481 175.481 175.131 0.350 18443 4584 1 7 . 1 1 84 84 PHE CA C 84 57.253 57.253 57.062 0.191 18443 4585 1 7 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.402 1.410 18443 4586 1 7 . 1 1 84 84 PHE H H 84 8.878 8.878 8.888 -0.010 18443 4587 1 7 . 1 1 85 85 LEU N N 85 123.597 123.597 123.532 0.065 18443 4588 1 7 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.697 0.197 18443 4589 1 7 . 1 1 85 85 LEU C C 85 176.528 176.528 176.201 0.327 18443 4590 1 7 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.480 -0.110 18443 4591 1 7 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.968 3.232 18443 4592 1 7 . 1 1 85 85 LEU H H 85 9.604 9.604 9.377 0.227 18443 4593 1 7 . 1 1 86 86 VAL N N 86 118.274 118.274 123.470 -5.196 18443 4594 1 7 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.639 0.579 18443 4595 1 7 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.821 -1.260 18443 4596 1 7 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.435 2.058 18443 4597 1 7 . 1 1 86 86 VAL H H 86 9.457 9.457 9.231 0.226 18443 4598 1 7 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.387 -0.439 18443 4599 1 7 . 1 1 87 87 PRO C C 87 177.132 177.132 175.621 1.511 18443 4600 1 7 . 1 1 87 87 PRO CA C 87 62.363 62.363 62.242 0.121 18443 4601 1 7 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.992 -0.334 18443 4602 1 7 . 1 1 88 88 LYS N N 88 124.554 124.554 123.706 0.848 18443 4603 1 7 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.622 -0.343 18443 4604 1 7 . 1 1 88 88 LYS C C 88 175.739 175.739 176.317 -0.578 18443 4605 1 7 . 1 1 88 88 LYS CA C 88 55.650 55.650 54.653 0.997 18443 4606 1 7 . 1 1 88 88 LYS CB C 88 34.698 34.698 33.513 1.185 18443 4607 1 7 . 1 1 88 88 LYS H H 88 8.119 8.119 8.685 -0.566 18443 4608 1 7 . 1 1 89 89 ALA N N 89 130.786 130.786 129.579 1.207 18443 4609 1 7 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.909 0.061 18443 4610 1 7 . 1 1 89 89 ALA C C 89 176.947 176.947 177.433 -0.486 18443 4611 1 7 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.948 -0.758 18443 4612 1 7 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.470 -0.091 18443 4613 1 7 . 1 1 89 89 ALA H H 89 9.128 9.128 8.980 0.148 18443 4614 1 7 . 1 1 90 90 GLY N N 90 106.698 106.698 107.211 -0.513 18443 4615 1 7 . 1 1 90 90 GLY C C 90 173.352 173.352 172.825 0.527 18443 4616 1 7 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.095 0.491 18443 4617 1 7 . 1 1 90 90 GLY H H 90 8.393 8.393 8.412 -0.019 18443 4618 1 7 . 1 1 91 91 ALA N N 91 125.038 125.038 122.454 2.584 18443 4619 1 7 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.674 -0.097 18443 4620 1 7 . 1 1 91 91 ALA C C 91 175.940 175.940 174.768 1.172 18443 4621 1 7 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.825 -0.363 18443 4622 1 7 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.787 -0.135 18443 4623 1 7 . 1 1 91 91 ALA H H 91 7.788 7.788 7.678 0.110 18443 4624 1 7 . 1 1 92 92 TRP N N 92 120.760 120.760 119.412 1.348 18443 4625 1 7 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.223 -0.083 18443 4626 1 7 . 1 1 92 92 TRP C C 92 175.960 175.960 176.578 -0.618 18443 4627 1 7 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.912 -0.061 18443 4628 1 7 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.628 1.045 18443 4629 1 7 . 1 1 92 92 TRP H H 92 8.235 8.235 8.574 -0.339 18443 4630 1 7 . 1 1 93 93 GLU N N 93 124.341 124.341 119.617 4.724 18443 4631 1 7 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.658 0.203 18443 4632 1 7 . 1 1 93 93 GLU C C 93 175.515 175.515 174.616 0.899 18443 4633 1 7 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.821 -0.042 18443 4634 1 7 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.807 -0.615 18443 4635 1 7 . 1 1 93 93 GLU H H 93 9.264 9.264 8.617 0.647 18443 4636 1 7 . 1 1 94 94 GLU N N 94 126.987 126.987 126.484 0.503 18443 4637 1 7 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.756 0.441 18443 4638 1 7 . 1 1 94 94 GLU C C 94 177.604 177.604 176.007 1.597 18443 4639 1 7 . 1 1 94 94 GLU CA C 94 56.604 56.604 55.890 0.714 18443 4640 1 7 . 1 1 94 94 GLU CB C 94 30.078 30.078 30.193 -0.115 18443 4641 1 7 . 1 1 94 94 GLU H H 94 9.123 9.123 8.982 0.141 18443 4642 1 7 . 1 1 95 95 VAL N N 95 122.004 122.004 127.644 -5.640 18443 4643 1 7 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.178 0.514 18443 4644 1 7 . 1 1 95 95 VAL C C 95 175.719 175.719 175.097 0.622 18443 4645 1 7 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.876 -0.541 18443 4646 1 7 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.457 0.808 18443 4647 1 7 . 1 1 95 95 VAL H H 95 9.099 9.099 8.861 0.238 18443 4648 1 7 . 1 1 96 96 GLY N N 96 107.961 107.961 107.503 0.458 18443 4649 1 7 . 1 1 96 96 GLY C C 96 171.052 171.052 171.678 -0.626 18443 4650 1 7 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.341 0.771 18443 4651 1 7 . 1 1 96 96 GLY H H 96 7.754 7.754 7.481 0.273 18443 4652 1 7 . 1 1 97 97 ARG N N 97 117.467 117.467 123.228 -5.761 18443 4653 1 7 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.451 0.226 18443 4654 1 7 . 1 1 97 97 ARG C C 97 174.403 174.403 175.758 -1.355 18443 4655 1 7 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.304 0.322 18443 4656 1 7 . 1 1 97 97 ARG CB C 97 34.313 34.313 32.736 1.577 18443 4657 1 7 . 1 1 97 97 ARG H H 97 8.489 8.489 8.531 -0.042 18443 4658 1 7 . 1 1 98 98 LEU N N 98 122.922 122.922 125.331 -2.409 18443 4659 1 7 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.952 -0.027 18443 4660 1 7 . 1 1 98 98 LEU C C 98 174.871 174.871 175.068 -0.197 18443 4661 1 7 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.065 -0.093 18443 4662 1 7 . 1 1 98 98 LEU CB C 98 46.542 46.542 46.129 0.413 18443 4663 1 7 . 1 1 98 98 LEU H H 98 9.504 9.504 9.334 0.170 18443 4664 1 7 . 1 1 99 99 PHE N N 99 124.212 124.212 122.525 1.687 18443 4665 1 7 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.756 -0.108 18443 4666 1 7 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.597 -0.846 18443 4667 1 7 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.781 -1.549 18443 4668 1 7 . 1 1 99 99 PHE H H 99 9.146 9.146 8.812 0.334 18443 4669 1 7 . 1 1 100 100 GLY N N 100 116.438 116.438 115.142 1.296 18443 4670 1 7 . 1 1 100 100 GLY C C 100 173.343 173.343 172.709 0.634 18443 4671 1 7 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.538 -1.102 18443 4672 1 7 . 1 1 100 100 GLY H H 100 8.464 8.464 7.671 0.793 18443 4673 1 7 . 1 1 101 101 SER N N 101 112.597 112.597 117.787 -5.190 18443 4674 1 7 . 1 1 101 101 SER HA H 101 4.616 4.616 4.491 0.125 18443 4675 1 7 . 1 1 101 101 SER C C 101 175.075 175.075 174.974 0.101 18443 4676 1 7 . 1 1 101 101 SER CA C 101 58.288 58.288 58.715 -0.427 18443 4677 1 7 . 1 1 101 101 SER CB C 101 64.305 64.305 63.691 0.615 18443 4678 1 7 . 1 1 101 101 SER H H 101 8.366 8.366 8.738 -0.372 18443 4679 1 7 . 1 1 102 102 ARG N N 102 119.662 119.662 125.585 -5.923 18443 4680 1 7 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.802 0.129 18443 4681 1 7 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.753 0.067 18443 4682 1 7 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.565 1.877 18443 4683 1 7 . 1 1 102 102 ARG H H 102 7.767 7.767 7.931 -0.164 18443 4684 1 7 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.443 0.108 18443 4685 1 7 . 1 1 103 103 PRO C C 103 177.345 177.345 177.467 -0.122 18443 4686 1 7 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.595 -0.519 18443 4687 1 7 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.524 0.344 18443 4688 1 7 . 1 1 104 104 ARG N N 104 121.205 121.205 123.428 -2.223 18443 4689 1 7 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.929 0.003 18443 4690 1 7 . 1 1 104 104 ARG C C 104 177.368 177.368 178.220 -0.852 18443 4691 1 7 . 1 1 104 104 ARG CA C 104 60.911 60.911 60.493 0.417 18443 4692 1 7 . 1 1 104 104 ARG CB C 104 30.164 30.164 30.002 0.162 18443 4693 1 7 . 1 1 104 104 ARG H H 104 8.986 8.986 8.827 0.159 18443 4694 1 7 . 1 1 105 105 ALA N N 105 119.508 119.508 119.452 0.056 18443 4695 1 7 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.207 -0.098 18443 4696 1 7 . 1 1 105 105 ALA C C 105 181.065 181.065 180.062 1.003 18443 4697 1 7 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.819 0.926 18443 4698 1 7 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.852 0.443 18443 4699 1 7 . 1 1 105 105 ALA H H 105 9.033 9.033 8.563 0.470 18443 4700 1 7 . 1 1 106 106 GLU N N 106 117.537 117.537 119.906 -2.369 18443 4701 1 7 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.159 -0.030 18443 4702 1 7 . 1 1 106 106 GLU C C 106 178.041 178.041 178.585 -0.544 18443 4703 1 7 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.716 0.077 18443 4704 1 7 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.642 0.592 18443 4705 1 7 . 1 1 106 106 GLU H H 106 7.201 7.201 7.689 -0.488 18443 4706 1 7 . 1 1 107 107 PHE N N 107 120.721 120.721 121.723 -1.002 18443 4707 1 7 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.111 0.073 18443 4708 1 7 . 1 1 107 107 PHE C C 107 177.235 177.235 177.418 -0.183 18443 4709 1 7 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.541 0.202 18443 4710 1 7 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.204 0.879 18443 4711 1 7 . 1 1 107 107 PHE H H 107 8.555 8.555 8.903 -0.348 18443 4712 1 7 . 1 1 108 108 LEU N N 108 117.219 117.219 119.427 -2.208 18443 4713 1 7 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.734 0.097 18443 4714 1 7 . 1 1 108 108 LEU C C 108 178.406 178.406 178.605 -0.199 18443 4715 1 7 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.037 0.447 18443 4716 1 7 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.425 0.727 18443 4717 1 7 . 1 1 108 108 LEU H H 108 8.364 8.364 8.881 -0.517 18443 4718 1 7 . 1 1 109 109 LYS N N 109 118.680 118.680 120.057 -1.377 18443 4719 1 7 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.840 0.061 18443 4720 1 7 . 1 1 109 109 LYS C C 109 179.696 179.696 178.654 1.042 18443 4721 1 7 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.740 0.442 18443 4722 1 7 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.129 0.137 18443 4723 1 7 . 1 1 109 109 LYS H H 109 7.330 7.330 7.655 -0.325 18443 4724 1 7 . 1 1 110 110 GLU N N 110 119.802 119.802 118.984 0.818 18443 4725 1 7 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.920 0.041 18443 4726 1 7 . 1 1 110 110 GLU C C 110 179.903 179.903 178.687 1.216 18443 4727 1 7 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.612 0.512 18443 4728 1 7 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.039 -0.267 18443 4729 1 7 . 1 1 110 110 GLU H H 110 8.077 8.077 7.640 0.437 18443 4730 1 7 . 1 1 111 111 LEU N N 111 120.129 120.129 120.925 -0.796 18443 4731 1 7 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.560 -0.028 18443 4732 1 7 . 1 1 111 111 LEU C C 111 179.792 179.792 178.459 1.333 18443 4733 1 7 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.162 0.272 18443 4734 1 7 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.393 1.335 18443 4735 1 7 . 1 1 111 111 LEU H H 111 8.341 8.341 8.263 0.078 18443 4736 1 7 . 1 1 112 112 ARG N N 112 118.350 118.350 119.503 -1.153 18443 4737 1 7 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.949 -0.053 18443 4738 1 7 . 1 1 112 112 ARG C C 112 179.446 179.446 179.020 0.426 18443 4739 1 7 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.570 1.753 18443 4740 1 7 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.441 0.437 18443 4741 1 7 . 1 1 112 112 ARG H H 112 8.166 8.166 8.349 -0.183 18443 4742 1 7 . 1 1 113 113 GLN N N 113 118.358 118.358 119.508 -1.150 18443 4743 1 7 . 1 1 113 113 GLN HA H 113 4.093 4.093 3.972 0.121 18443 4744 1 7 . 1 1 113 113 GLN C C 113 179.137 179.137 178.106 1.031 18443 4745 1 7 . 1 1 113 113 GLN CA C 113 58.831 58.831 59.078 -0.247 18443 4746 1 7 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.757 -0.287 18443 4747 1 7 . 1 1 113 113 GLN H H 113 7.842 7.842 7.678 0.164 18443 4748 1 7 . 1 1 114 114 VAL N N 114 120.174 120.174 118.983 1.191 18443 4749 1 7 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.605 0.046 18443 4750 1 7 . 1 1 114 114 VAL C C 114 177.853 177.853 178.077 -0.224 18443 4751 1 7 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.227 -0.163 18443 4752 1 7 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.708 0.531 18443 4753 1 7 . 1 1 114 114 VAL H H 114 7.947 7.947 8.310 -0.363 18443 4754 1 7 . 1 1 115 115 CYS N N 115 117.549 117.549 115.038 2.511 18443 4755 1 7 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.551 -0.471 18443 4756 1 7 . 1 1 115 115 CYS C C 115 177.204 177.204 176.408 0.796 18443 4757 1 7 . 1 1 115 115 CYS CA C 115 63.574 63.574 61.142 2.432 18443 4758 1 7 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.615 0.142 18443 4759 1 7 . 1 1 115 115 CYS H H 115 7.801 7.801 8.405 -0.604 18443 4760 1 7 . 1 1 116 116 VAL N N 116 119.053 119.053 120.574 -1.521 18443 4761 1 7 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.928 -0.075 18443 4762 1 7 . 1 1 116 116 VAL C C 116 178.840 178.840 178.246 0.594 18443 4763 1 7 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.097 0.344 18443 4764 1 7 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.482 0.426 18443 4765 1 7 . 1 1 116 116 VAL H H 116 7.465 7.465 7.560 -0.095 18443 4766 1 7 . 1 1 117 117 LYS N N 117 121.003 121.003 119.723 1.280 18443 4767 1 7 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.065 0.111 18443 4768 1 7 . 1 1 117 117 LYS C C 117 178.689 178.689 177.933 0.756 18443 4769 1 7 . 1 1 117 117 LYS CA C 117 58.555 58.555 58.101 0.454 18443 4770 1 7 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.585 1.133 18443 4771 1 7 . 1 1 117 117 LYS H H 117 7.915 7.915 7.657 0.258 18443 4772 1 7 . 1 1 118 118 GLY N N 118 106.132 106.132 104.108 2.024 18443 4773 1 7 . 1 1 118 118 GLY C C 118 174.909 174.909 174.400 0.509 18443 4774 1 7 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.007 -0.043 18443 4775 1 7 . 1 1 118 118 GLY H H 118 8.472 8.472 7.563 0.909 18443 4776 1 7 . 1 1 119 119 GLY N N 119 107.977 107.977 107.897 0.080 18443 4777 1 7 . 1 1 119 119 GLY C C 119 174.631 174.631 174.286 0.345 18443 4778 1 7 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.015 0.951 18443 4779 1 7 . 1 1 119 119 GLY H H 119 7.791 7.791 7.647 0.144 18443 4780 1 7 . 1 1 120 120 ALA N N 120 123.981 123.981 124.689 -0.708 18443 4781 1 7 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.582 -0.169 18443 4782 1 7 . 1 1 120 120 ALA C C 120 178.143 178.143 177.643 0.500 18443 4783 1 7 . 1 1 120 120 ALA CA C 120 52.816 52.816 50.986 1.830 18443 4784 1 7 . 1 1 120 120 ALA CB C 120 19.102 19.102 17.155 1.947 18443 4785 1 7 . 1 1 120 120 ALA H H 120 8.171 8.171 7.920 0.251 18443 4786 1 7 . 1 1 121 121 CYS N N 121 117.342 117.342 120.858 -3.516 18443 4787 1 7 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.201 0.309 18443 4788 1 7 . 1 1 121 121 CYS C C 121 175.318 175.318 175.539 -0.221 18443 4789 1 7 . 1 1 121 121 CYS CA C 121 58.974 58.974 60.165 -1.191 18443 4790 1 7 . 1 1 121 121 CYS CB C 121 28.109 28.109 28.071 0.038 18443 4791 1 7 . 1 1 121 121 CYS H H 121 8.200 8.200 8.063 0.137 18443 4792 1 7 . 1 1 122 122 GLY N N 122 110.351 110.351 105.988 4.363 18443 4793 1 7 . 1 1 122 122 GLY C C 122 174.299 174.299 174.825 -0.526 18443 4794 1 7 . 1 1 122 122 GLY CA C 122 45.525 45.525 44.855 0.670 18443 4795 1 7 . 1 1 122 122 GLY H H 122 8.367 8.367 8.377 -0.010 18443 4796 1 7 . 1 1 123 123 GLU N N 123 120.589 120.589 117.622 2.967 18443 4797 1 7 . 1 1 123 123 GLU HA H 123 4.307 4.307 3.810 0.497 18443 4798 1 7 . 1 1 123 123 GLU C C 123 177.296 177.296 176.289 1.007 18443 4799 1 7 . 1 1 123 123 GLU CA C 123 56.830 56.830 57.918 -1.088 18443 4800 1 7 . 1 1 123 123 GLU CB C 123 30.461 30.461 28.623 1.838 18443 4801 1 7 . 1 1 123 123 GLU H H 123 8.280 8.280 8.630 -0.350 18443 4802 1 7 . 1 1 124 124 GLY N N 124 109.521 109.521 107.201 2.320 18443 4803 1 7 . 1 1 124 124 GLY C C 124 174.189 174.189 174.671 -0.482 18443 4804 1 7 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.902 -0.362 18443 4805 1 7 . 1 1 124 124 GLY H H 124 8.465 8.465 8.273 0.192 18443 4806 1 7 . 1 1 125 125 HIS N N 125 118.418 118.418 114.089 4.329 18443 4807 1 7 . 1 1 125 125 HIS CA C 125 55.971 55.971 54.458 1.513 18443 4808 1 7 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.016 0.057 18443 4809 1 7 . 1 1 125 125 HIS H H 125 8.244 8.244 7.390 0.854 18443 4810 1 8 . 1 1 2 2 SER HA H 2 4.050 4.050 4.502 -0.452 18443 4811 1 8 . 1 1 2 2 SER CA C 2 57.351 57.351 58.209 -0.858 18443 4812 1 8 . 1 1 2 2 SER CB C 2 63.259 63.259 62.343 0.916 18443 4813 1 8 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.533 -0.231 18443 4814 1 8 . 1 1 3 3 LEU C C 3 175.706 175.706 176.941 -1.235 18443 4815 1 8 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.690 -0.404 18443 4816 1 8 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.769 0.151 18443 4817 1 8 . 1 1 4 4 ARG N N 4 127.222 127.222 126.348 0.874 18443 4818 1 8 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.307 0.011 18443 4819 1 8 . 1 1 4 4 ARG C C 4 173.862 173.862 175.014 -1.152 18443 4820 1 8 . 1 1 4 4 ARG CA C 4 54.980 54.980 55.388 -0.408 18443 4821 1 8 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.250 2.076 18443 4822 1 8 . 1 1 4 4 ARG H H 4 8.502 8.502 8.339 0.163 18443 4823 1 8 . 1 1 5 5 TRP N N 5 123.052 123.052 125.683 -2.631 18443 4824 1 8 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.384 -0.384 18443 4825 1 8 . 1 1 5 5 TRP C C 5 176.309 176.309 176.273 0.036 18443 4826 1 8 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.791 -1.110 18443 4827 1 8 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.645 0.245 18443 4828 1 8 . 1 1 5 5 TRP H H 5 8.184 8.184 8.105 0.079 18443 4829 1 8 . 1 1 6 6 TYR N N 6 120.957 120.957 122.574 -1.617 18443 4830 1 8 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.979 0.000 18443 4831 1 8 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.864 1.320 18443 4832 1 8 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.335 0.002 18443 4833 1 8 . 1 1 6 6 TYR H H 6 8.818 8.818 9.244 -0.426 18443 4834 1 8 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.787 0.123 18443 4835 1 8 . 1 1 7 7 PRO C C 7 177.869 177.869 177.527 0.342 18443 4836 1 8 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.566 0.012 18443 4837 1 8 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.689 0.256 18443 4838 1 8 . 1 1 8 8 TYR N N 8 122.256 122.256 123.469 -1.213 18443 4839 1 8 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.037 0.006 18443 4840 1 8 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.365 -0.290 18443 4841 1 8 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.066 0.788 18443 4842 1 8 . 1 1 8 8 TYR H H 8 9.408 9.408 9.192 0.216 18443 4843 1 8 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.133 -0.091 18443 4844 1 8 . 1 1 9 9 PRO C C 9 180.472 180.472 178.913 1.559 18443 4845 1 8 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.132 0.254 18443 4846 1 8 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.182 -0.656 18443 4847 1 8 . 1 1 10 10 GLU N N 10 118.047 118.047 118.290 -0.243 18443 4848 1 8 . 1 1 10 10 GLU HA H 10 4.054 4.054 3.991 0.063 18443 4849 1 8 . 1 1 10 10 GLU C C 10 178.293 178.293 178.593 -0.300 18443 4850 1 8 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.449 -0.419 18443 4851 1 8 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.277 1.032 18443 4852 1 8 . 1 1 10 10 GLU H H 10 7.093 7.093 8.583 -1.490 18443 4853 1 8 . 1 1 11 11 ALA N N 11 121.740 121.740 123.438 -1.698 18443 4854 1 8 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.894 -0.273 18443 4855 1 8 . 1 1 11 11 ALA C C 11 178.890 178.890 179.273 -0.383 18443 4856 1 8 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.507 -0.988 18443 4857 1 8 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.332 0.713 18443 4858 1 8 . 1 1 11 11 ALA H H 11 8.447 8.447 8.649 -0.202 18443 4859 1 8 . 1 1 12 12 LEU N N 12 115.622 115.622 118.415 -2.793 18443 4860 1 8 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.602 -0.151 18443 4861 1 8 . 1 1 12 12 LEU C C 12 179.331 179.331 179.280 0.051 18443 4862 1 8 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.221 1.302 18443 4863 1 8 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.129 0.316 18443 4864 1 8 . 1 1 12 12 LEU H H 12 7.354 7.354 7.555 -0.201 18443 4865 1 8 . 1 1 13 13 ALA N N 13 120.240 120.240 122.490 -2.250 18443 4866 1 8 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.184 -0.009 18443 4867 1 8 . 1 1 13 13 ALA C C 13 181.630 181.630 179.999 1.631 18443 4868 1 8 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.095 0.230 18443 4869 1 8 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.397 -0.242 18443 4870 1 8 . 1 1 13 13 ALA H H 13 7.201 7.201 7.608 -0.407 18443 4871 1 8 . 1 1 14 14 LEU N N 14 120.757 120.757 120.854 -0.097 18443 4872 1 8 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.830 0.257 18443 4873 1 8 . 1 1 14 14 LEU C C 14 179.635 179.635 179.060 0.575 18443 4874 1 8 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.404 0.284 18443 4875 1 8 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.507 2.285 18443 4876 1 8 . 1 1 14 14 LEU H H 14 8.202 8.202 8.544 -0.342 18443 4877 1 8 . 1 1 15 15 ALA N N 15 121.483 121.483 119.897 1.586 18443 4878 1 8 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.949 -0.075 18443 4879 1 8 . 1 1 15 15 ALA C C 15 180.839 180.839 179.923 0.916 18443 4880 1 8 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.213 1.035 18443 4881 1 8 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.391 1.245 18443 4882 1 8 . 1 1 15 15 ALA H H 15 8.594 8.594 8.202 0.392 18443 4883 1 8 . 1 1 16 16 GLN N N 16 117.131 117.131 120.637 -3.506 18443 4884 1 8 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.100 -0.131 18443 4885 1 8 . 1 1 16 16 GLN C C 16 178.701 178.701 178.523 0.178 18443 4886 1 8 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.452 0.701 18443 4887 1 8 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.554 0.325 18443 4888 1 8 . 1 1 16 16 GLN H H 16 8.609 8.609 8.325 0.284 18443 4889 1 8 . 1 1 17 17 ALA N N 17 120.088 120.088 120.527 -0.439 18443 4890 1 8 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.328 -0.209 18443 4891 1 8 . 1 1 17 17 ALA C C 17 179.305 179.305 178.536 0.769 18443 4892 1 8 . 1 1 17 17 ALA CA C 17 54.619 54.619 54.055 0.564 18443 4893 1 8 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.909 -0.646 18443 4894 1 8 . 1 1 17 17 ALA H H 17 7.635 7.635 8.203 -0.568 18443 4895 1 8 . 1 1 18 18 HIS N N 18 111.636 111.636 114.181 -2.545 18443 4896 1 8 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.679 0.133 18443 4897 1 8 . 1 1 18 18 HIS C C 18 175.021 175.021 175.422 -0.401 18443 4898 1 8 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.175 0.362 18443 4899 1 8 . 1 1 18 18 HIS CB C 18 31.211 31.211 30.869 0.342 18443 4900 1 8 . 1 1 18 18 HIS H H 18 7.728 7.728 7.684 0.044 18443 4901 1 8 . 1 1 19 19 GLY N N 19 111.899 111.899 108.437 3.462 18443 4902 1 8 . 1 1 19 19 GLY C C 19 175.071 175.071 174.388 0.683 18443 4903 1 8 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.771 1.884 18443 4904 1 8 . 1 1 19 19 GLY H H 19 7.886 7.886 8.045 -0.159 18443 4905 1 8 . 1 1 20 20 ARG N N 20 118.442 118.442 118.734 -0.292 18443 4906 1 8 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.577 0.034 18443 4907 1 8 . 1 1 20 20 ARG C C 20 174.586 174.586 175.061 -0.475 18443 4908 1 8 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.701 0.811 18443 4909 1 8 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.467 1.808 18443 4910 1 8 . 1 1 20 20 ARG H H 20 8.239 8.239 8.152 0.087 18443 4911 1 8 . 1 1 21 21 MET N N 21 115.457 115.457 117.802 -2.345 18443 4912 1 8 . 1 1 21 21 MET HA H 21 4.870 4.870 4.593 0.277 18443 4913 1 8 . 1 1 21 21 MET C C 21 175.707 175.707 175.084 0.623 18443 4914 1 8 . 1 1 21 21 MET CA C 21 56.111 56.111 54.039 2.072 18443 4915 1 8 . 1 1 21 21 MET CB C 21 35.717 35.717 34.607 1.110 18443 4916 1 8 . 1 1 21 21 MET H H 21 7.193 7.193 8.538 -1.345 18443 4917 1 8 . 1 1 22 22 VAL N N 22 119.607 119.607 120.307 -0.700 18443 4918 1 8 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.577 0.733 18443 4919 1 8 . 1 1 22 22 VAL C C 22 176.506 176.506 174.777 1.729 18443 4920 1 8 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.298 -0.869 18443 4921 1 8 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.432 3.226 18443 4922 1 8 . 1 1 22 22 VAL H H 22 9.034 9.034 8.874 0.160 18443 4923 1 8 . 1 1 23 23 MET N N 23 126.309 126.309 129.408 -3.099 18443 4924 1 8 . 1 1 23 23 MET HA H 23 4.878 4.878 4.687 0.191 18443 4925 1 8 . 1 1 23 23 MET C C 23 173.960 173.960 173.654 0.306 18443 4926 1 8 . 1 1 23 23 MET CA C 23 54.184 54.184 53.003 1.181 18443 4927 1 8 . 1 1 23 23 MET CB C 23 36.920 36.920 34.017 2.903 18443 4928 1 8 . 1 1 23 23 MET H H 23 8.704 8.704 9.172 -0.468 18443 4929 1 8 . 1 1 24 24 VAL N N 24 128.959 128.959 129.326 -0.367 18443 4930 1 8 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.097 0.241 18443 4931 1 8 . 1 1 24 24 VAL C C 24 174.245 174.245 173.791 0.454 18443 4932 1 8 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.583 0.170 18443 4933 1 8 . 1 1 24 24 VAL CB C 24 31.821 31.821 30.637 1.184 18443 4934 1 8 . 1 1 24 24 VAL H H 24 9.908 9.908 9.057 0.851 18443 4935 1 8 . 1 1 25 25 TYR N N 25 129.726 129.726 130.894 -1.168 18443 4936 1 8 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.163 0.064 18443 4937 1 8 . 1 1 25 25 TYR C C 25 173.393 173.393 173.701 -0.308 18443 4938 1 8 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.459 -2.377 18443 4939 1 8 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.775 -0.257 18443 4940 1 8 . 1 1 25 25 TYR H H 25 9.031 9.031 8.754 0.277 18443 4941 1 8 . 1 1 26 26 PHE N N 26 126.719 126.719 127.371 -0.652 18443 4942 1 8 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.576 0.519 18443 4943 1 8 . 1 1 26 26 PHE C C 26 174.151 174.151 174.618 -0.467 18443 4944 1 8 . 1 1 26 26 PHE CA C 26 57.438 57.438 56.958 0.480 18443 4945 1 8 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.529 1.095 18443 4946 1 8 . 1 1 26 26 PHE H H 26 9.162 9.162 8.963 0.199 18443 4947 1 8 . 1 1 27 27 HIS N N 27 118.311 118.311 120.119 -1.808 18443 4948 1 8 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.187 -0.025 18443 4949 1 8 . 1 1 27 27 HIS C C 27 173.044 173.044 174.089 -1.045 18443 4950 1 8 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.243 0.216 18443 4951 1 8 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.114 2.974 18443 4952 1 8 . 1 1 27 27 HIS H H 27 8.168 8.168 8.823 -0.655 18443 4953 1 8 . 1 1 28 28 SER N N 28 112.150 112.150 116.809 -4.659 18443 4954 1 8 . 1 1 28 28 SER HA H 28 4.790 4.790 5.195 -0.405 18443 4955 1 8 . 1 1 28 28 SER C C 28 176.815 176.815 175.976 0.839 18443 4956 1 8 . 1 1 28 28 SER CA C 28 56.260 56.260 55.180 1.080 18443 4957 1 8 . 1 1 28 28 SER CB C 28 65.470 65.470 64.961 0.509 18443 4958 1 8 . 1 1 28 28 SER H H 28 7.545 7.545 8.262 -0.717 18443 4959 1 8 . 1 1 29 29 GLU N N 29 130.603 130.603 128.361 2.242 18443 4960 1 8 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.066 0.034 18443 4961 1 8 . 1 1 29 29 GLU C C 29 176.980 176.980 176.184 0.796 18443 4962 1 8 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.155 0.515 18443 4963 1 8 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.622 0.017 18443 4964 1 8 . 1 1 29 29 GLU H H 29 9.681 9.681 9.749 -0.068 18443 4965 1 8 . 1 1 30 30 HIS N N 30 114.752 114.752 115.603 -0.851 18443 4966 1 8 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.730 -0.036 18443 4967 1 8 . 1 1 30 30 HIS C C 30 173.679 173.679 175.082 -1.403 18443 4968 1 8 . 1 1 30 30 HIS CA C 30 54.393 54.393 54.952 -0.558 18443 4969 1 8 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.514 -0.142 18443 4970 1 8 . 1 1 30 30 HIS H H 30 8.226 8.226 7.821 0.405 18443 4971 1 8 . 1 1 31 31 CYS N N 31 124.685 124.685 122.967 1.718 18443 4972 1 8 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.586 0.360 18443 4973 1 8 . 1 1 31 31 CYS C C 31 175.771 175.771 174.717 1.054 18443 4974 1 8 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.687 -0.571 18443 4975 1 8 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.825 2.590 18443 4976 1 8 . 1 1 31 31 CYS H H 31 7.091 7.091 7.575 -0.484 18443 4977 1 8 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.227 0.107 18443 4978 1 8 . 1 1 32 32 PRO C C 32 179.352 179.352 177.706 1.646 18443 4979 1 8 . 1 1 32 32 PRO CA C 32 64.193 64.193 65.109 -0.916 18443 4980 1 8 . 1 1 32 32 PRO CB C 32 32.072 32.072 31.855 0.217 18443 4981 1 8 . 1 1 33 33 TYR N N 33 125.092 125.092 115.171 9.921 18443 4982 1 8 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.583 -0.088 18443 4983 1 8 . 1 1 33 33 TYR C C 33 179.457 179.457 177.852 1.605 18443 4984 1 8 . 1 1 33 33 TYR CA C 33 60.880 60.880 59.635 1.245 18443 4985 1 8 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.333 0.012 18443 4986 1 8 . 1 1 33 33 TYR H H 33 8.621 8.621 8.489 0.132 18443 4987 1 8 . 1 1 34 34 CYS N N 34 127.272 127.272 119.323 7.949 18443 4988 1 8 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.203 0.132 18443 4989 1 8 . 1 1 34 34 CYS C C 34 176.672 176.672 175.928 0.744 18443 4990 1 8 . 1 1 34 34 CYS CA C 34 64.159 64.159 61.619 2.540 18443 4991 1 8 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.201 1.676 18443 4992 1 8 . 1 1 34 34 CYS H H 34 9.440 9.440 8.407 1.033 18443 4993 1 8 . 1 1 35 35 GLN N N 35 118.373 118.373 119.932 -1.559 18443 4994 1 8 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.920 0.139 18443 4995 1 8 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.897 0.477 18443 4996 1 8 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.089 0.487 18443 4997 1 8 . 1 1 35 35 GLN H H 35 7.866 7.866 8.532 -0.666 18443 4998 1 8 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.219 0.027 18443 4999 1 8 . 1 1 36 36 GLN C C 36 178.881 178.881 178.171 0.710 18443 5000 1 8 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.627 1.000 18443 5001 1 8 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.628 -0.023 18443 5002 1 8 . 1 1 37 37 MET N N 37 117.759 117.759 119.949 -2.190 18443 5003 1 8 . 1 1 37 37 MET HA H 37 4.488 4.488 4.111 0.377 18443 5004 1 8 . 1 1 37 37 MET C C 37 179.838 179.838 178.237 1.601 18443 5005 1 8 . 1 1 37 37 MET CA C 37 57.229 57.229 59.211 -1.982 18443 5006 1 8 . 1 1 37 37 MET CB C 37 29.983 29.983 32.617 -2.634 18443 5007 1 8 . 1 1 37 37 MET H H 37 8.125 8.125 7.696 0.429 18443 5008 1 8 . 1 1 38 38 ASN N N 38 122.249 122.249 117.427 4.822 18443 5009 1 8 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.333 0.029 18443 5010 1 8 . 1 1 38 38 ASN C C 38 177.355 177.355 177.093 0.262 18443 5011 1 8 . 1 1 38 38 ASN CA C 38 56.435 56.435 57.034 -0.599 18443 5012 1 8 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.719 -1.207 18443 5013 1 8 . 1 1 38 38 ASN H H 38 9.245 9.245 8.902 0.343 18443 5014 1 8 . 1 1 39 39 THR N N 39 113.554 113.554 114.798 -1.244 18443 5015 1 8 . 1 1 39 39 THR HA H 39 3.853 3.853 3.916 -0.063 18443 5016 1 8 . 1 1 39 39 THR C C 39 176.277 176.277 175.429 0.848 18443 5017 1 8 . 1 1 39 39 THR CA C 39 65.843 65.843 66.059 -0.216 18443 5018 1 8 . 1 1 39 39 THR CB C 39 69.595 69.595 68.736 0.859 18443 5019 1 8 . 1 1 39 39 THR H H 39 8.034 8.034 7.508 0.526 18443 5020 1 8 . 1 1 40 40 PHE N N 40 116.394 116.394 118.118 -1.724 18443 5021 1 8 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.481 0.339 18443 5022 1 8 . 1 1 40 40 PHE C C 40 176.255 176.255 177.198 -0.943 18443 5023 1 8 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.207 -1.492 18443 5024 1 8 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.041 1.844 18443 5025 1 8 . 1 1 40 40 PHE H H 40 8.309 8.309 8.016 0.293 18443 5026 1 8 . 1 1 41 41 VAL N N 41 117.246 117.246 118.936 -1.690 18443 5027 1 8 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.676 0.630 18443 5028 1 8 . 1 1 41 41 VAL C C 41 176.704 176.704 177.834 -1.130 18443 5029 1 8 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.098 -0.259 18443 5030 1 8 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.596 2.043 18443 5031 1 8 . 1 1 41 41 VAL H H 41 7.678 7.678 7.531 0.147 18443 5032 1 8 . 1 1 42 42 LEU N N 42 117.179 117.179 116.594 0.585 18443 5033 1 8 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.021 -0.073 18443 5034 1 8 . 1 1 42 42 LEU C C 42 175.837 175.837 177.945 -2.108 18443 5035 1 8 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.965 1.331 18443 5036 1 8 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.244 -1.129 18443 5037 1 8 . 1 1 42 42 LEU H H 42 8.882 8.882 8.476 0.406 18443 5038 1 8 . 1 1 43 43 SER N N 43 105.494 105.494 111.884 -6.390 18443 5039 1 8 . 1 1 43 43 SER HA H 43 4.408 4.408 4.360 0.048 18443 5040 1 8 . 1 1 43 43 SER C C 43 175.397 175.397 174.025 1.372 18443 5041 1 8 . 1 1 43 43 SER CA C 43 57.144 57.144 59.573 -2.429 18443 5042 1 8 . 1 1 43 43 SER CB C 43 64.117 64.117 63.578 0.539 18443 5043 1 8 . 1 1 43 43 SER H H 43 6.785 6.785 7.347 -0.562 18443 5044 1 8 . 1 1 44 44 ASP N N 44 126.617 126.617 123.759 2.858 18443 5045 1 8 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.580 0.232 18443 5046 1 8 . 1 1 44 44 ASP C C 44 175.644 175.644 176.066 -0.422 18443 5047 1 8 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.489 -0.816 18443 5048 1 8 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.360 1.313 18443 5049 1 8 . 1 1 44 44 ASP H H 44 7.443 7.443 7.397 0.046 18443 5050 1 8 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.367 -0.015 18443 5051 1 8 . 1 1 45 45 PRO C C 45 178.792 178.792 178.731 0.061 18443 5052 1 8 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.581 0.179 18443 5053 1 8 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.972 0.367 18443 5054 1 8 . 1 1 46 46 GLY N N 46 107.270 107.270 106.548 0.722 18443 5055 1 8 . 1 1 46 46 GLY C C 46 176.799 176.799 176.504 0.295 18443 5056 1 8 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.612 0.416 18443 5057 1 8 . 1 1 46 46 GLY H H 46 8.161 8.161 8.651 -0.490 18443 5058 1 8 . 1 1 47 47 VAL N N 47 124.473 124.473 122.046 2.427 18443 5059 1 8 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.545 0.050 18443 5060 1 8 . 1 1 47 47 VAL C C 47 177.886 177.886 177.930 -0.044 18443 5061 1 8 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.725 -0.225 18443 5062 1 8 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.729 0.696 18443 5063 1 8 . 1 1 47 47 VAL H H 47 8.344 8.344 8.652 -0.308 18443 5064 1 8 . 1 1 48 48 SER N N 48 113.807 113.807 115.078 -1.271 18443 5065 1 8 . 1 1 48 48 SER HA H 48 4.053 4.053 4.088 -0.035 18443 5066 1 8 . 1 1 48 48 SER C C 48 176.889 176.889 176.150 0.739 18443 5067 1 8 . 1 1 48 48 SER CA C 48 62.777 62.777 61.564 1.213 18443 5068 1 8 . 1 1 48 48 SER CB C 48 62.884 62.884 62.881 0.003 18443 5069 1 8 . 1 1 48 48 SER H H 48 9.023 9.023 8.733 0.290 18443 5070 1 8 . 1 1 49 49 ARG N N 49 119.875 119.875 120.947 -1.072 18443 5071 1 8 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.107 0.057 18443 5072 1 8 . 1 1 49 49 ARG C C 49 179.398 179.398 178.715 0.683 18443 5073 1 8 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.375 0.183 18443 5074 1 8 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.944 0.303 18443 5075 1 8 . 1 1 49 49 ARG H H 49 8.081 8.081 7.673 0.408 18443 5076 1 8 . 1 1 50 50 LEU N N 50 121.717 121.717 119.875 1.842 18443 5077 1 8 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.027 0.352 18443 5078 1 8 . 1 1 50 50 LEU C C 50 179.482 179.482 179.379 0.103 18443 5079 1 8 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.538 0.668 18443 5080 1 8 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.687 0.148 18443 5081 1 8 . 1 1 50 50 LEU H H 50 7.291 7.291 7.594 -0.303 18443 5082 1 8 . 1 1 51 51 LEU N N 51 118.677 118.677 119.534 -0.857 18443 5083 1 8 . 1 1 51 51 LEU HA H 51 4.290 4.290 3.884 0.406 18443 5084 1 8 . 1 1 51 51 LEU C C 51 179.233 179.233 179.254 -0.021 18443 5085 1 8 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.495 0.848 18443 5086 1 8 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.196 2.190 18443 5087 1 8 . 1 1 51 51 LEU H H 51 8.358 8.358 7.656 0.702 18443 5088 1 8 . 1 1 52 52 GLU N N 52 116.437 116.437 118.389 -1.952 18443 5089 1 8 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.971 0.197 18443 5090 1 8 . 1 1 52 52 GLU C C 52 178.898 178.898 178.925 -0.027 18443 5091 1 8 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.127 -0.134 18443 5092 1 8 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.271 0.934 18443 5093 1 8 . 1 1 52 52 GLU H H 52 8.715 8.715 8.659 0.056 18443 5094 1 8 . 1 1 53 53 ALA N N 53 119.092 119.092 120.393 -1.301 18443 5095 1 8 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.167 0.260 18443 5096 1 8 . 1 1 53 53 ALA C C 53 180.298 180.298 178.254 2.044 18443 5097 1 8 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.826 -0.263 18443 5098 1 8 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.383 0.835 18443 5099 1 8 . 1 1 53 53 ALA H H 53 7.782 7.782 7.972 -0.190 18443 5100 1 8 . 1 1 54 54 ARG N N 54 111.562 111.562 113.223 -1.661 18443 5101 1 8 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.554 0.101 18443 5102 1 8 . 1 1 54 54 ARG C C 54 175.560 175.560 174.789 0.771 18443 5103 1 8 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.085 -0.054 18443 5104 1 8 . 1 1 54 54 ARG CB C 54 33.337 33.337 29.777 3.560 18443 5105 1 8 . 1 1 54 54 ARG H H 54 7.740 7.740 7.844 -0.104 18443 5106 1 8 . 1 1 55 55 PHE N N 55 117.038 117.038 119.610 -2.572 18443 5107 1 8 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.473 0.189 18443 5108 1 8 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.148 -0.320 18443 5109 1 8 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.881 -0.599 18443 5110 1 8 . 1 1 55 55 PHE H H 55 8.555 8.555 8.465 0.090 18443 5111 1 8 . 1 1 56 56 VAL N N 56 121.038 121.038 123.013 -1.975 18443 5112 1 8 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.330 -0.005 18443 5113 1 8 . 1 1 56 56 VAL C C 56 175.305 175.305 174.822 0.483 18443 5114 1 8 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.647 1.299 18443 5115 1 8 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.296 1.209 18443 5116 1 8 . 1 1 56 56 VAL H H 56 8.817 8.817 9.379 -0.562 18443 5117 1 8 . 1 1 57 57 VAL N N 57 125.781 125.781 128.408 -2.627 18443 5118 1 8 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.526 0.450 18443 5119 1 8 . 1 1 57 57 VAL C C 57 174.535 174.535 174.666 -0.131 18443 5120 1 8 . 1 1 57 57 VAL CA C 57 61.390 61.390 60.873 0.517 18443 5121 1 8 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.033 0.903 18443 5122 1 8 . 1 1 57 57 VAL H H 57 9.498 9.498 8.176 1.322 18443 5123 1 8 . 1 1 58 58 ALA N N 58 128.137 128.137 131.291 -3.154 18443 5124 1 8 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.655 -0.034 18443 5125 1 8 . 1 1 58 58 ALA C C 58 175.953 175.953 177.379 -1.426 18443 5126 1 8 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.887 -1.123 18443 5127 1 8 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.505 1.210 18443 5128 1 8 . 1 1 58 58 ALA H H 58 9.062 9.062 9.271 -0.209 18443 5129 1 8 . 1 1 59 59 SER N N 59 117.343 117.343 122.039 -4.696 18443 5130 1 8 . 1 1 59 59 SER HA H 59 4.693 4.693 5.108 -0.415 18443 5131 1 8 . 1 1 59 59 SER C C 59 174.092 174.092 173.879 0.213 18443 5132 1 8 . 1 1 59 59 SER CA C 59 56.135 56.135 57.976 -1.841 18443 5133 1 8 . 1 1 59 59 SER CB C 59 63.731 63.731 63.410 0.321 18443 5134 1 8 . 1 1 59 59 SER H H 59 8.676 8.676 9.089 -0.413 18443 5135 1 8 . 1 1 60 60 VAL N N 60 129.829 129.829 127.613 2.216 18443 5136 1 8 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.274 -0.345 18443 5137 1 8 . 1 1 60 60 VAL C C 60 172.999 172.999 174.396 -1.397 18443 5138 1 8 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.144 0.378 18443 5139 1 8 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.788 -0.453 18443 5140 1 8 . 1 1 60 60 VAL H H 60 8.716 8.716 8.483 0.233 18443 5141 1 8 . 1 1 61 61 SER N N 61 119.457 119.457 123.989 -4.532 18443 5142 1 8 . 1 1 61 61 SER HA H 61 4.211 4.211 4.475 -0.264 18443 5143 1 8 . 1 1 61 61 SER C C 61 178.511 178.511 174.787 3.724 18443 5144 1 8 . 1 1 61 61 SER CA C 61 55.404 55.404 58.130 -2.726 18443 5145 1 8 . 1 1 61 61 SER CB C 61 63.080 63.080 63.528 -0.448 18443 5146 1 8 . 1 1 61 61 SER H H 61 8.250 8.250 8.809 -0.558 18443 5147 1 8 . 1 1 62 62 VAL N N 62 123.331 123.331 125.563 -2.232 18443 5148 1 8 . 1 1 62 62 VAL HA H 62 4.041 4.041 4.031 0.010 18443 5149 1 8 . 1 1 62 62 VAL C C 62 174.434 174.434 175.006 -0.572 18443 5150 1 8 . 1 1 62 62 VAL CA C 62 62.777 62.777 61.714 1.063 18443 5151 1 8 . 1 1 62 62 VAL CB C 62 29.867 29.867 32.102 -2.235 18443 5152 1 8 . 1 1 62 62 VAL H H 62 8.954 8.954 8.517 0.437 18443 5153 1 8 . 1 1 63 63 ASP N N 63 119.953 119.953 119.409 0.544 18443 5154 1 8 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.710 0.009 18443 5155 1 8 . 1 1 63 63 ASP C C 63 175.930 175.930 176.494 -0.564 18443 5156 1 8 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.752 -0.822 18443 5157 1 8 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.541 -0.323 18443 5158 1 8 . 1 1 63 63 ASP H H 63 7.966 7.966 8.516 -0.550 18443 5159 1 8 . 1 1 64 64 THR N N 64 108.822 108.822 113.419 -4.597 18443 5160 1 8 . 1 1 64 64 THR HA H 64 4.963 4.963 4.735 0.228 18443 5161 1 8 . 1 1 64 64 THR C C 64 173.012 173.012 174.133 -1.121 18443 5162 1 8 . 1 1 64 64 THR CA C 64 58.176 58.176 59.300 -1.125 18443 5163 1 8 . 1 1 64 64 THR CB C 64 70.326 70.326 69.361 0.965 18443 5164 1 8 . 1 1 64 64 THR H H 64 7.315 7.315 7.400 -0.085 18443 5165 1 8 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.139 0.149 18443 5166 1 8 . 1 1 65 65 PRO C C 65 180.307 180.307 178.631 1.676 18443 5167 1 8 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.169 -0.328 18443 5168 1 8 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.493 0.468 18443 5169 1 8 . 1 1 66 66 GLU N N 66 118.398 118.398 118.661 -0.263 18443 5170 1 8 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.167 -0.006 18443 5171 1 8 . 1 1 66 66 GLU C C 66 179.940 179.940 179.076 0.864 18443 5172 1 8 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.338 0.601 18443 5173 1 8 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.781 1.090 18443 5174 1 8 . 1 1 66 66 GLU H H 66 9.304 9.304 8.894 0.410 18443 5175 1 8 . 1 1 67 67 GLY N N 67 110.592 110.592 108.777 1.815 18443 5176 1 8 . 1 1 67 67 GLY C C 67 176.529 176.529 176.371 0.158 18443 5177 1 8 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.372 0.492 18443 5178 1 8 . 1 1 67 67 GLY H H 67 8.172 8.172 8.277 -0.105 18443 5179 1 8 . 1 1 68 68 GLN N N 68 121.948 121.948 121.502 0.446 18443 5180 1 8 . 1 1 68 68 GLN HA H 68 4.013 4.013 4.074 -0.061 18443 5181 1 8 . 1 1 68 68 GLN C C 68 179.366 179.366 178.532 0.834 18443 5182 1 8 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.422 0.769 18443 5183 1 8 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.068 -0.134 18443 5184 1 8 . 1 1 68 68 GLN H H 68 8.504 8.504 8.693 -0.189 18443 5185 1 8 . 1 1 69 69 GLU N N 69 120.280 120.280 121.016 -0.736 18443 5186 1 8 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.043 0.127 18443 5187 1 8 . 1 1 69 69 GLU C C 69 179.360 179.360 178.991 0.369 18443 5188 1 8 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.345 0.145 18443 5189 1 8 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.351 -0.419 18443 5190 1 8 . 1 1 69 69 GLU H H 69 7.815 7.815 8.358 -0.543 18443 5191 1 8 . 1 1 70 70 LEU N N 70 121.041 121.041 119.545 1.496 18443 5192 1 8 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.126 -0.010 18443 5193 1 8 . 1 1 70 70 LEU C C 70 178.961 178.961 179.257 -0.296 18443 5194 1 8 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.009 0.184 18443 5195 1 8 . 1 1 70 70 LEU CB C 70 42.727 42.727 40.945 1.782 18443 5196 1 8 . 1 1 70 70 LEU H H 70 7.758 7.758 7.927 -0.169 18443 5197 1 8 . 1 1 71 71 ALA N N 71 122.094 122.094 121.760 0.334 18443 5198 1 8 . 1 1 71 71 ALA HA H 71 3.573 3.573 4.215 -0.642 18443 5199 1 8 . 1 1 71 71 ALA C C 71 179.966 179.966 179.664 0.302 18443 5200 1 8 . 1 1 71 71 ALA CA C 71 55.038 55.038 54.620 0.418 18443 5201 1 8 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.628 -1.208 18443 5202 1 8 . 1 1 71 71 ALA H H 71 8.745 8.745 8.140 0.605 18443 5203 1 8 . 1 1 72 72 ARG N N 72 118.463 118.463 118.194 0.269 18443 5204 1 8 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.084 0.037 18443 5205 1 8 . 1 1 72 72 ARG C C 72 180.905 180.905 178.552 2.353 18443 5206 1 8 . 1 1 72 72 ARG CA C 72 59.524 59.524 57.789 1.735 18443 5207 1 8 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.611 0.691 18443 5208 1 8 . 1 1 72 72 ARG H H 72 7.862 7.862 8.125 -0.263 18443 5209 1 8 . 1 1 73 73 ARG N N 73 122.223 122.223 119.911 2.312 18443 5210 1 8 . 1 1 73 73 ARG HA H 73 3.958 3.958 3.936 0.022 18443 5211 1 8 . 1 1 73 73 ARG C C 73 178.562 178.562 178.827 -0.265 18443 5212 1 8 . 1 1 73 73 ARG CA C 73 59.538 59.538 59.336 0.202 18443 5213 1 8 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.364 -0.173 18443 5214 1 8 . 1 1 73 73 ARG H H 73 8.189 8.189 8.393 -0.204 18443 5215 1 8 . 1 1 74 74 TYR N N 74 114.319 114.319 115.379 -1.060 18443 5216 1 8 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.490 -0.089 18443 5217 1 8 . 1 1 74 74 TYR C C 74 174.321 174.321 175.715 -1.394 18443 5218 1 8 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.639 0.145 18443 5219 1 8 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.016 0.248 18443 5220 1 8 . 1 1 74 74 TYR H H 74 8.047 8.047 8.354 -0.307 18443 5221 1 8 . 1 1 75 75 ARG N N 75 119.572 119.572 114.756 4.816 18443 5222 1 8 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.043 -0.174 18443 5223 1 8 . 1 1 75 75 ARG C C 75 175.880 175.880 174.778 1.102 18443 5224 1 8 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.981 -0.141 18443 5225 1 8 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.566 -1.058 18443 5226 1 8 . 1 1 75 75 ARG H H 75 7.865 7.865 7.645 0.220 18443 5227 1 8 . 1 1 76 76 VAL N N 76 119.885 119.885 117.903 1.982 18443 5228 1 8 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.304 -0.513 18443 5229 1 8 . 1 1 76 76 VAL C C 76 176.374 176.374 173.570 2.804 18443 5230 1 8 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.662 2.094 18443 5231 1 8 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.525 -1.612 18443 5232 1 8 . 1 1 76 76 VAL H H 76 8.024 8.024 7.354 0.670 18443 5233 1 8 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.396 0.001 18443 5234 1 8 . 1 1 77 77 PRO C C 77 175.829 175.829 176.775 -0.946 18443 5235 1 8 . 1 1 77 77 PRO CA C 77 63.462 63.462 63.131 0.331 18443 5236 1 8 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.332 -0.575 18443 5237 1 8 . 1 1 78 78 GLY N N 78 105.453 105.453 105.261 0.192 18443 5238 1 8 . 1 1 78 78 GLY C C 78 171.794 171.794 173.211 -1.417 18443 5239 1 8 . 1 1 78 78 GLY CA C 78 44.609 44.609 46.032 -1.423 18443 5240 1 8 . 1 1 78 78 GLY H H 78 6.725 6.725 8.480 -1.755 18443 5241 1 8 . 1 1 79 79 THR N N 79 110.056 110.056 112.606 -2.550 18443 5242 1 8 . 1 1 79 79 THR HA H 79 4.886 4.886 5.045 -0.159 18443 5243 1 8 . 1 1 79 79 THR CA C 79 57.957 57.957 58.893 -0.936 18443 5244 1 8 . 1 1 79 79 THR CB C 79 70.685 70.685 68.787 1.898 18443 5245 1 8 . 1 1 79 79 THR H H 79 8.771 8.771 7.923 0.848 18443 5246 1 8 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.595 0.484 18443 5247 1 8 . 1 1 80 80 PRO C C 80 176.536 176.536 175.101 1.435 18443 5248 1 8 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.838 0.721 18443 5249 1 8 . 1 1 80 80 PRO CB C 80 35.671 35.671 33.061 2.610 18443 5250 1 8 . 1 1 81 81 THR N N 81 116.755 116.755 114.787 1.968 18443 5251 1 8 . 1 1 81 81 THR HA H 81 5.425 5.425 5.066 0.359 18443 5252 1 8 . 1 1 81 81 THR C C 81 171.960 171.960 173.191 -1.231 18443 5253 1 8 . 1 1 81 81 THR CA C 81 63.540 63.540 62.103 1.437 18443 5254 1 8 . 1 1 81 81 THR CB C 81 71.840 71.840 71.786 0.054 18443 5255 1 8 . 1 1 81 81 THR H H 81 8.176 8.176 7.813 0.363 18443 5256 1 8 . 1 1 82 82 PHE N N 82 126.263 126.263 125.800 0.463 18443 5257 1 8 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.510 0.126 18443 5258 1 8 . 1 1 82 82 PHE C C 82 174.738 174.738 174.554 0.184 18443 5259 1 8 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.109 -0.339 18443 5260 1 8 . 1 1 82 82 PHE CB C 82 41.280 41.280 41.531 -0.251 18443 5261 1 8 . 1 1 82 82 PHE H H 82 9.540 9.540 9.505 0.035 18443 5262 1 8 . 1 1 83 83 VAL N N 83 123.703 123.703 122.889 0.814 18443 5263 1 8 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.906 -0.365 18443 5264 1 8 . 1 1 83 83 VAL C C 83 174.159 174.159 174.860 -0.701 18443 5265 1 8 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.198 0.831 18443 5266 1 8 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.988 1.119 18443 5267 1 8 . 1 1 83 83 VAL H H 83 9.208 9.208 8.999 0.209 18443 5268 1 8 . 1 1 84 84 PHE N N 84 126.003 126.003 127.451 -1.448 18443 5269 1 8 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.599 0.211 18443 5270 1 8 . 1 1 84 84 PHE C C 84 175.481 175.481 175.173 0.308 18443 5271 1 8 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.743 0.510 18443 5272 1 8 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.740 1.071 18443 5273 1 8 . 1 1 84 84 PHE H H 84 8.878 8.878 8.955 -0.077 18443 5274 1 8 . 1 1 85 85 LEU N N 85 123.597 123.597 123.246 0.351 18443 5275 1 8 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.739 0.155 18443 5276 1 8 . 1 1 85 85 LEU C C 85 176.528 176.528 176.219 0.309 18443 5277 1 8 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.362 0.008 18443 5278 1 8 . 1 1 85 85 LEU CB C 85 48.199 48.199 45.240 2.959 18443 5279 1 8 . 1 1 85 85 LEU H H 85 9.604 9.604 9.264 0.340 18443 5280 1 8 . 1 1 86 86 VAL N N 86 118.274 118.274 123.005 -4.731 18443 5281 1 8 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.642 0.576 18443 5282 1 8 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.993 -1.432 18443 5283 1 8 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.557 1.936 18443 5284 1 8 . 1 1 86 86 VAL H H 86 9.457 9.457 8.992 0.465 18443 5285 1 8 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.372 -0.424 18443 5286 1 8 . 1 1 87 87 PRO C C 87 177.132 177.132 175.708 1.424 18443 5287 1 8 . 1 1 87 87 PRO CA C 87 62.363 62.363 62.215 0.148 18443 5288 1 8 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.363 -0.705 18443 5289 1 8 . 1 1 88 88 LYS N N 88 124.554 124.554 123.442 1.112 18443 5290 1 8 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.592 -0.313 18443 5291 1 8 . 1 1 88 88 LYS C C 88 175.739 175.739 176.268 -0.529 18443 5292 1 8 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.202 0.448 18443 5293 1 8 . 1 1 88 88 LYS CB C 88 34.698 34.698 33.277 1.421 18443 5294 1 8 . 1 1 88 88 LYS H H 88 8.119 8.119 8.670 -0.551 18443 5295 1 8 . 1 1 89 89 ALA N N 89 130.786 130.786 129.588 1.198 18443 5296 1 8 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.905 0.065 18443 5297 1 8 . 1 1 89 89 ALA C C 89 176.947 176.947 177.373 -0.426 18443 5298 1 8 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.933 -0.743 18443 5299 1 8 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.437 -0.058 18443 5300 1 8 . 1 1 89 89 ALA H H 89 9.128 9.128 8.961 0.167 18443 5301 1 8 . 1 1 90 90 GLY N N 90 106.698 106.698 107.205 -0.507 18443 5302 1 8 . 1 1 90 90 GLY C C 90 173.352 173.352 172.800 0.552 18443 5303 1 8 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.011 0.575 18443 5304 1 8 . 1 1 90 90 GLY H H 90 8.393 8.393 8.400 -0.007 18443 5305 1 8 . 1 1 91 91 ALA N N 91 125.038 125.038 122.376 2.662 18443 5306 1 8 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.584 -0.007 18443 5307 1 8 . 1 1 91 91 ALA C C 91 175.940 175.940 174.741 1.199 18443 5308 1 8 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.698 -0.236 18443 5309 1 8 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.699 -0.047 18443 5310 1 8 . 1 1 91 91 ALA H H 91 7.788 7.788 7.573 0.215 18443 5311 1 8 . 1 1 92 92 TRP N N 92 120.760 120.760 119.010 1.750 18443 5312 1 8 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.381 -0.241 18443 5313 1 8 . 1 1 92 92 TRP C C 92 175.960 175.960 176.642 -0.682 18443 5314 1 8 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.566 0.285 18443 5315 1 8 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.711 0.962 18443 5316 1 8 . 1 1 92 92 TRP H H 92 8.235 8.235 8.478 -0.243 18443 5317 1 8 . 1 1 93 93 GLU N N 93 124.341 124.341 119.314 5.027 18443 5318 1 8 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.633 0.228 18443 5319 1 8 . 1 1 93 93 GLU C C 93 175.515 175.515 174.738 0.777 18443 5320 1 8 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.805 -0.026 18443 5321 1 8 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.772 -0.580 18443 5322 1 8 . 1 1 93 93 GLU H H 93 9.264 9.264 8.610 0.654 18443 5323 1 8 . 1 1 94 94 GLU N N 94 126.987 126.987 127.103 -0.116 18443 5324 1 8 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.707 0.490 18443 5325 1 8 . 1 1 94 94 GLU C C 94 177.604 177.604 176.135 1.469 18443 5326 1 8 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.158 0.446 18443 5327 1 8 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.966 0.112 18443 5328 1 8 . 1 1 94 94 GLU H H 94 9.123 9.123 9.038 0.085 18443 5329 1 8 . 1 1 95 95 VAL N N 95 122.004 122.004 127.161 -5.157 18443 5330 1 8 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.395 0.297 18443 5331 1 8 . 1 1 95 95 VAL C C 95 175.719 175.719 174.326 1.393 18443 5332 1 8 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.462 -0.127 18443 5333 1 8 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.306 0.959 18443 5334 1 8 . 1 1 95 95 VAL H H 95 9.099 9.099 8.834 0.265 18443 5335 1 8 . 1 1 96 96 GLY N N 96 107.961 107.961 106.650 1.311 18443 5336 1 8 . 1 1 96 96 GLY C C 96 171.052 171.052 171.766 -0.714 18443 5337 1 8 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.018 1.094 18443 5338 1 8 . 1 1 96 96 GLY H H 96 7.754 7.754 7.415 0.339 18443 5339 1 8 . 1 1 97 97 ARG N N 97 117.467 117.467 122.512 -5.045 18443 5340 1 8 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.346 0.331 18443 5341 1 8 . 1 1 97 97 ARG C C 97 174.403 174.403 175.601 -1.198 18443 5342 1 8 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.207 0.419 18443 5343 1 8 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.025 1.288 18443 5344 1 8 . 1 1 97 97 ARG H H 97 8.489 8.489 8.404 0.085 18443 5345 1 8 . 1 1 98 98 LEU N N 98 122.922 122.922 125.829 -2.907 18443 5346 1 8 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.913 0.012 18443 5347 1 8 . 1 1 98 98 LEU C C 98 174.871 174.871 174.973 -0.102 18443 5348 1 8 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.210 -0.239 18443 5349 1 8 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.737 1.804 18443 5350 1 8 . 1 1 98 98 LEU H H 98 9.504 9.504 9.399 0.105 18443 5351 1 8 . 1 1 99 99 PHE N N 99 124.212 124.212 123.927 0.285 18443 5352 1 8 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.472 0.176 18443 5353 1 8 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.814 -1.063 18443 5354 1 8 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.080 -0.848 18443 5355 1 8 . 1 1 99 99 PHE H H 99 9.146 9.146 8.704 0.442 18443 5356 1 8 . 1 1 100 100 GLY N N 100 116.438 116.438 115.752 0.686 18443 5357 1 8 . 1 1 100 100 GLY C C 100 173.343 173.343 172.879 0.464 18443 5358 1 8 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.385 -0.949 18443 5359 1 8 . 1 1 100 100 GLY H H 100 8.464 8.464 7.488 0.976 18443 5360 1 8 . 1 1 101 101 SER N N 101 112.597 112.597 117.253 -4.656 18443 5361 1 8 . 1 1 101 101 SER HA H 101 4.616 4.616 4.614 0.002 18443 5362 1 8 . 1 1 101 101 SER C C 101 175.075 175.075 175.061 0.014 18443 5363 1 8 . 1 1 101 101 SER CA C 101 58.288 58.288 58.090 0.197 18443 5364 1 8 . 1 1 101 101 SER CB C 101 64.305 64.305 63.043 1.262 18443 5365 1 8 . 1 1 101 101 SER H H 101 8.366 8.366 8.214 0.152 18443 5366 1 8 . 1 1 102 102 ARG N N 102 119.662 119.662 126.447 -6.785 18443 5367 1 8 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.861 0.070 18443 5368 1 8 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.940 -0.120 18443 5369 1 8 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.399 2.043 18443 5370 1 8 . 1 1 102 102 ARG H H 102 7.767 7.767 7.947 -0.180 18443 5371 1 8 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.370 0.181 18443 5372 1 8 . 1 1 103 103 PRO C C 103 177.345 177.345 177.448 -0.103 18443 5373 1 8 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.442 -0.366 18443 5374 1 8 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.576 0.292 18443 5375 1 8 . 1 1 104 104 ARG N N 104 121.205 121.205 122.809 -1.604 18443 5376 1 8 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.970 -0.038 18443 5377 1 8 . 1 1 104 104 ARG C C 104 177.368 177.368 178.195 -0.827 18443 5378 1 8 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.827 1.084 18443 5379 1 8 . 1 1 104 104 ARG CB C 104 30.164 30.164 30.051 0.113 18443 5380 1 8 . 1 1 104 104 ARG H H 104 8.986 8.986 8.831 0.155 18443 5381 1 8 . 1 1 105 105 ALA N N 105 119.508 119.508 122.276 -2.768 18443 5382 1 8 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.204 -0.095 18443 5383 1 8 . 1 1 105 105 ALA C C 105 181.065 181.065 179.685 1.380 18443 5384 1 8 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.891 0.854 18443 5385 1 8 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.763 0.533 18443 5386 1 8 . 1 1 105 105 ALA H H 105 9.033 9.033 8.474 0.559 18443 5387 1 8 . 1 1 106 106 GLU N N 106 117.537 117.537 118.572 -1.035 18443 5388 1 8 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.087 0.042 18443 5389 1 8 . 1 1 106 106 GLU C C 106 178.041 178.041 178.888 -0.847 18443 5390 1 8 . 1 1 106 106 GLU CA C 106 58.793 58.793 59.235 -0.442 18443 5391 1 8 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.292 0.942 18443 5392 1 8 . 1 1 106 106 GLU H H 106 7.201 7.201 8.451 -1.250 18443 5393 1 8 . 1 1 107 107 PHE N N 107 120.721 120.721 121.685 -0.964 18443 5394 1 8 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.079 0.105 18443 5395 1 8 . 1 1 107 107 PHE C C 107 177.235 177.235 177.338 -0.103 18443 5396 1 8 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.995 -0.252 18443 5397 1 8 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.130 0.952 18443 5398 1 8 . 1 1 107 107 PHE H H 107 8.555 8.555 8.677 -0.122 18443 5399 1 8 . 1 1 108 108 LEU N N 108 117.219 117.219 119.654 -2.435 18443 5400 1 8 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.704 0.127 18443 5401 1 8 . 1 1 108 108 LEU C C 108 178.406 178.406 178.611 -0.205 18443 5402 1 8 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.989 0.495 18443 5403 1 8 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.495 0.657 18443 5404 1 8 . 1 1 108 108 LEU H H 108 8.364 8.364 8.865 -0.501 18443 5405 1 8 . 1 1 109 109 LYS N N 109 118.680 118.680 120.152 -1.472 18443 5406 1 8 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.786 0.115 18443 5407 1 8 . 1 1 109 109 LYS C C 109 179.696 179.696 178.447 1.249 18443 5408 1 8 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.788 0.395 18443 5409 1 8 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.172 0.094 18443 5410 1 8 . 1 1 109 109 LYS H H 109 7.330 7.330 8.084 -0.754 18443 5411 1 8 . 1 1 110 110 GLU N N 110 119.802 119.802 119.133 0.669 18443 5412 1 8 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.905 0.056 18443 5413 1 8 . 1 1 110 110 GLU C C 110 179.903 179.903 178.919 0.984 18443 5414 1 8 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.832 0.292 18443 5415 1 8 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.216 -0.445 18443 5416 1 8 . 1 1 110 110 GLU H H 110 8.077 8.077 7.941 0.136 18443 5417 1 8 . 1 1 111 111 LEU N N 111 120.129 120.129 120.630 -0.501 18443 5418 1 8 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.440 0.092 18443 5419 1 8 . 1 1 111 111 LEU C C 111 179.792 179.792 178.612 1.180 18443 5420 1 8 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.684 -0.250 18443 5421 1 8 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.467 1.262 18443 5422 1 8 . 1 1 111 111 LEU H H 111 8.341 8.341 8.268 0.073 18443 5423 1 8 . 1 1 112 112 ARG N N 112 118.350 118.350 119.081 -0.731 18443 5424 1 8 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.975 -0.079 18443 5425 1 8 . 1 1 112 112 ARG C C 112 179.446 179.446 178.290 1.156 18443 5426 1 8 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.335 1.988 18443 5427 1 8 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.276 0.602 18443 5428 1 8 . 1 1 112 112 ARG H H 112 8.166 8.166 8.319 -0.153 18443 5429 1 8 . 1 1 113 113 GLN N N 113 118.358 118.358 118.357 0.001 18443 5430 1 8 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.126 -0.033 18443 5431 1 8 . 1 1 113 113 GLN C C 113 179.137 179.137 178.952 0.185 18443 5432 1 8 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.151 0.680 18443 5433 1 8 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.054 0.416 18443 5434 1 8 . 1 1 113 113 GLN H H 113 7.842 7.842 8.036 -0.194 18443 5435 1 8 . 1 1 114 114 VAL N N 114 120.174 120.174 121.577 -1.403 18443 5436 1 8 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.694 -0.043 18443 5437 1 8 . 1 1 114 114 VAL C C 114 177.853 177.853 177.812 0.041 18443 5438 1 8 . 1 1 114 114 VAL CA C 114 66.063 66.063 65.606 0.457 18443 5439 1 8 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.684 0.555 18443 5440 1 8 . 1 1 114 114 VAL H H 114 7.947 7.947 8.354 -0.407 18443 5441 1 8 . 1 1 115 115 CYS N N 115 117.549 117.549 118.474 -0.925 18443 5442 1 8 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.212 -0.132 18443 5443 1 8 . 1 1 115 115 CYS C C 115 177.204 177.204 177.373 -0.169 18443 5444 1 8 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.926 -0.352 18443 5445 1 8 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.590 0.167 18443 5446 1 8 . 1 1 115 115 CYS H H 115 7.801 7.801 7.840 -0.039 18443 5447 1 8 . 1 1 116 116 VAL N N 116 119.053 119.053 119.720 -0.667 18443 5448 1 8 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.651 0.202 18443 5449 1 8 . 1 1 116 116 VAL C C 116 178.840 178.840 178.131 0.709 18443 5450 1 8 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.920 -1.478 18443 5451 1 8 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.019 0.889 18443 5452 1 8 . 1 1 116 116 VAL H H 116 7.465 7.465 7.839 -0.374 18443 5453 1 8 . 1 1 117 117 LYS N N 117 121.003 121.003 118.978 2.025 18443 5454 1 8 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.092 0.084 18443 5455 1 8 . 1 1 117 117 LYS C C 117 178.689 178.689 178.428 0.261 18443 5456 1 8 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.211 -0.656 18443 5457 1 8 . 1 1 117 117 LYS CB C 117 32.718 32.718 32.032 0.686 18443 5458 1 8 . 1 1 117 117 LYS H H 117 7.915 7.915 7.496 0.419 18443 5459 1 8 . 1 1 118 118 GLY N N 118 106.132 106.132 104.613 1.519 18443 5460 1 8 . 1 1 118 118 GLY C C 118 174.909 174.909 175.044 -0.135 18443 5461 1 8 . 1 1 118 118 GLY CA C 118 45.964 45.964 45.467 0.498 18443 5462 1 8 . 1 1 118 118 GLY H H 118 8.472 8.472 7.854 0.618 18443 5463 1 8 . 1 1 119 119 GLY N N 119 107.977 107.977 108.651 -0.674 18443 5464 1 8 . 1 1 119 119 GLY C C 119 174.631 174.631 174.073 0.558 18443 5465 1 8 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.154 0.812 18443 5466 1 8 . 1 1 119 119 GLY H H 119 7.791 7.791 7.502 0.289 18443 5467 1 8 . 1 1 120 120 ALA N N 120 123.981 123.981 121.305 2.676 18443 5468 1 8 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.784 -0.371 18443 5469 1 8 . 1 1 120 120 ALA C C 120 178.143 178.143 178.066 0.077 18443 5470 1 8 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.072 0.744 18443 5471 1 8 . 1 1 120 120 ALA CB C 120 19.102 19.102 20.637 -1.534 18443 5472 1 8 . 1 1 120 120 ALA H H 120 8.171 8.171 8.376 -0.205 18443 5473 1 8 . 1 1 121 121 CYS N N 121 117.342 117.342 117.156 0.186 18443 5474 1 8 . 1 1 121 121 CYS HA H 121 4.510 4.510 3.961 0.549 18443 5475 1 8 . 1 1 121 121 CYS C C 121 175.318 175.318 175.006 0.312 18443 5476 1 8 . 1 1 121 121 CYS CA C 121 58.974 58.974 62.144 -3.170 18443 5477 1 8 . 1 1 121 121 CYS CB C 121 28.109 28.109 27.050 1.059 18443 5478 1 8 . 1 1 121 121 CYS H H 121 8.200 8.200 8.815 -0.615 18443 5479 1 8 . 1 1 122 122 GLY N N 122 110.351 110.351 109.985 0.366 18443 5480 1 8 . 1 1 122 122 GLY C C 122 174.299 174.299 174.553 -0.254 18443 5481 1 8 . 1 1 122 122 GLY CA C 122 45.525 45.525 44.651 0.874 18443 5482 1 8 . 1 1 122 122 GLY H H 122 8.367 8.367 8.317 0.050 18443 5483 1 8 . 1 1 123 123 GLU N N 123 120.589 120.589 121.260 -0.671 18443 5484 1 8 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.503 -0.196 18443 5485 1 8 . 1 1 123 123 GLU C C 123 177.296 177.296 178.537 -1.241 18443 5486 1 8 . 1 1 123 123 GLU CA C 123 56.830 56.830 57.045 -0.215 18443 5487 1 8 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.950 0.512 18443 5488 1 8 . 1 1 123 123 GLU H H 123 8.280 8.280 7.802 0.478 18443 5489 1 8 . 1 1 124 124 GLY N N 124 109.521 109.521 110.537 -1.016 18443 5490 1 8 . 1 1 124 124 GLY C C 124 174.189 174.189 175.899 -1.710 18443 5491 1 8 . 1 1 124 124 GLY CA C 124 45.540 45.540 46.632 -1.092 18443 5492 1 8 . 1 1 124 124 GLY H H 124 8.465 8.465 8.971 -0.506 18443 5493 1 8 . 1 1 125 125 HIS N N 125 118.418 118.418 122.255 -3.837 18443 5494 1 8 . 1 1 125 125 HIS CA C 125 55.971 55.971 59.236 -3.264 18443 5495 1 8 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.041 0.031 18443 5496 1 8 . 1 1 125 125 HIS H H 125 8.244 8.244 7.821 0.423 18443 5497 1 9 . 1 1 2 2 SER HA H 2 4.050 4.050 4.660 -0.610 18443 5498 1 9 . 1 1 2 2 SER CA C 2 57.351 57.351 57.549 -0.198 18443 5499 1 9 . 1 1 2 2 SER CB C 2 63.259 63.259 63.769 -0.510 18443 5500 1 9 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.615 -0.313 18443 5501 1 9 . 1 1 3 3 LEU C C 3 175.706 175.706 177.212 -1.506 18443 5502 1 9 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.711 -0.425 18443 5503 1 9 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.564 0.356 18443 5504 1 9 . 1 1 4 4 ARG N N 4 127.222 127.222 127.911 -0.689 18443 5505 1 9 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.439 -0.121 18443 5506 1 9 . 1 1 4 4 ARG C C 4 173.862 173.862 174.772 -0.910 18443 5507 1 9 . 1 1 4 4 ARG CA C 4 54.980 54.980 55.011 -0.032 18443 5508 1 9 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.855 1.472 18443 5509 1 9 . 1 1 4 4 ARG H H 4 8.502 8.502 8.509 -0.007 18443 5510 1 9 . 1 1 5 5 TRP N N 5 123.052 123.052 126.940 -3.888 18443 5511 1 9 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.469 -0.469 18443 5512 1 9 . 1 1 5 5 TRP C C 5 176.309 176.309 176.208 0.101 18443 5513 1 9 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.892 -1.211 18443 5514 1 9 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.328 0.562 18443 5515 1 9 . 1 1 5 5 TRP H H 5 8.184 8.184 8.336 -0.152 18443 5516 1 9 . 1 1 6 6 TYR N N 6 120.957 120.957 122.557 -1.600 18443 5517 1 9 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.989 -0.010 18443 5518 1 9 . 1 1 6 6 TYR CA C 6 57.184 57.184 56.104 1.080 18443 5519 1 9 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.606 -0.269 18443 5520 1 9 . 1 1 6 6 TYR H H 6 8.818 8.818 9.372 -0.554 18443 5521 1 9 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.707 0.203 18443 5522 1 9 . 1 1 7 7 PRO C C 7 177.869 177.869 177.433 0.436 18443 5523 1 9 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.378 0.200 18443 5524 1 9 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.824 0.121 18443 5525 1 9 . 1 1 8 8 TYR N N 8 122.256 122.256 123.316 -1.060 18443 5526 1 9 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.037 0.006 18443 5527 1 9 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.179 -0.104 18443 5528 1 9 . 1 1 8 8 TYR CB C 8 36.854 36.854 35.972 0.882 18443 5529 1 9 . 1 1 8 8 TYR H H 8 9.408 9.408 9.193 0.215 18443 5530 1 9 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.022 0.020 18443 5531 1 9 . 1 1 9 9 PRO C C 9 180.472 180.472 178.880 1.592 18443 5532 1 9 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.001 0.385 18443 5533 1 9 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.094 -0.568 18443 5534 1 9 . 1 1 10 10 GLU N N 10 118.047 118.047 117.914 0.133 18443 5535 1 9 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.037 0.017 18443 5536 1 9 . 1 1 10 10 GLU C C 10 178.293 178.293 178.383 -0.090 18443 5537 1 9 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.961 0.069 18443 5538 1 9 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.111 1.198 18443 5539 1 9 . 1 1 10 10 GLU H H 10 7.093 7.093 8.420 -1.327 18443 5540 1 9 . 1 1 11 11 ALA N N 11 121.740 121.740 122.558 -0.818 18443 5541 1 9 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.997 -0.376 18443 5542 1 9 . 1 1 11 11 ALA C C 11 178.890 178.890 179.845 -0.955 18443 5543 1 9 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.348 -0.829 18443 5544 1 9 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.351 0.694 18443 5545 1 9 . 1 1 11 11 ALA H H 11 8.447 8.447 8.596 -0.149 18443 5546 1 9 . 1 1 12 12 LEU N N 12 115.622 115.622 118.690 -3.068 18443 5547 1 9 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.723 -0.272 18443 5548 1 9 . 1 1 12 12 LEU C C 12 179.331 179.331 178.881 0.450 18443 5549 1 9 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.977 0.546 18443 5550 1 9 . 1 1 12 12 LEU CB C 12 40.445 40.445 41.061 -0.616 18443 5551 1 9 . 1 1 12 12 LEU H H 12 7.354 7.354 7.575 -0.221 18443 5552 1 9 . 1 1 13 13 ALA N N 13 120.240 120.240 122.677 -2.437 18443 5553 1 9 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.150 0.025 18443 5554 1 9 . 1 1 13 13 ALA C C 13 181.630 181.630 179.732 1.898 18443 5555 1 9 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.158 0.167 18443 5556 1 9 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.232 -0.077 18443 5557 1 9 . 1 1 13 13 ALA H H 13 7.201 7.201 7.579 -0.378 18443 5558 1 9 . 1 1 14 14 LEU N N 14 120.757 120.757 120.810 -0.053 18443 5559 1 9 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.188 -0.101 18443 5560 1 9 . 1 1 14 14 LEU C C 14 179.635 179.635 179.162 0.473 18443 5561 1 9 . 1 1 14 14 LEU CA C 14 57.688 57.688 58.151 -0.463 18443 5562 1 9 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.685 1.107 18443 5563 1 9 . 1 1 14 14 LEU H H 14 8.202 8.202 8.720 -0.518 18443 5564 1 9 . 1 1 15 15 ALA N N 15 121.483 121.483 120.270 1.213 18443 5565 1 9 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.000 -0.126 18443 5566 1 9 . 1 1 15 15 ALA C C 15 180.839 180.839 179.733 1.106 18443 5567 1 9 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.408 0.840 18443 5568 1 9 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.345 1.292 18443 5569 1 9 . 1 1 15 15 ALA H H 15 8.594 8.594 7.837 0.757 18443 5570 1 9 . 1 1 16 16 GLN N N 16 117.131 117.131 120.363 -3.232 18443 5571 1 9 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.072 -0.103 18443 5572 1 9 . 1 1 16 16 GLN C C 16 178.701 178.701 178.250 0.451 18443 5573 1 9 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.753 0.400 18443 5574 1 9 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.856 0.023 18443 5575 1 9 . 1 1 16 16 GLN H H 16 8.609 8.609 8.424 0.185 18443 5576 1 9 . 1 1 17 17 ALA N N 17 120.088 120.088 120.510 -0.422 18443 5577 1 9 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.225 -0.106 18443 5578 1 9 . 1 1 17 17 ALA C C 17 179.305 179.305 178.202 1.103 18443 5579 1 9 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.855 0.764 18443 5580 1 9 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.935 -0.672 18443 5581 1 9 . 1 1 17 17 ALA H H 17 7.635 7.635 8.433 -0.798 18443 5582 1 9 . 1 1 18 18 HIS N N 18 111.636 111.636 114.365 -2.729 18443 5583 1 9 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.689 0.123 18443 5584 1 9 . 1 1 18 18 HIS C C 18 175.021 175.021 175.522 -0.501 18443 5585 1 9 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.551 -0.014 18443 5586 1 9 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.070 0.141 18443 5587 1 9 . 1 1 18 18 HIS H H 18 7.728 7.728 7.605 0.123 18443 5588 1 9 . 1 1 19 19 GLY N N 19 111.899 111.899 108.695 3.204 18443 5589 1 9 . 1 1 19 19 GLY C C 19 175.071 175.071 174.262 0.809 18443 5590 1 9 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.716 1.939 18443 5591 1 9 . 1 1 19 19 GLY H H 19 7.886 7.886 8.039 -0.153 18443 5592 1 9 . 1 1 20 20 ARG N N 20 118.442 118.442 118.756 -0.314 18443 5593 1 9 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.552 0.059 18443 5594 1 9 . 1 1 20 20 ARG C C 20 174.586 174.586 174.918 -0.332 18443 5595 1 9 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.788 0.724 18443 5596 1 9 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.567 1.708 18443 5597 1 9 . 1 1 20 20 ARG H H 20 8.239 8.239 8.230 0.009 18443 5598 1 9 . 1 1 21 21 MET N N 21 115.457 115.457 117.421 -1.964 18443 5599 1 9 . 1 1 21 21 MET HA H 21 4.870 4.870 4.810 0.060 18443 5600 1 9 . 1 1 21 21 MET C C 21 175.707 175.707 175.131 0.576 18443 5601 1 9 . 1 1 21 21 MET CA C 21 56.111 56.111 54.777 1.334 18443 5602 1 9 . 1 1 21 21 MET CB C 21 35.717 35.717 36.397 -0.680 18443 5603 1 9 . 1 1 21 21 MET H H 21 7.193 7.193 8.535 -1.342 18443 5604 1 9 . 1 1 22 22 VAL N N 22 119.607 119.607 119.981 -0.374 18443 5605 1 9 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.758 0.552 18443 5606 1 9 . 1 1 22 22 VAL C C 22 176.506 176.506 174.931 1.575 18443 5607 1 9 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.177 -0.748 18443 5608 1 9 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.493 2.165 18443 5609 1 9 . 1 1 22 22 VAL H H 22 9.034 9.034 8.954 0.080 18443 5610 1 9 . 1 1 23 23 MET N N 23 126.309 126.309 128.740 -2.431 18443 5611 1 9 . 1 1 23 23 MET HA H 23 4.878 4.878 4.765 0.113 18443 5612 1 9 . 1 1 23 23 MET C C 23 173.960 173.960 174.164 -0.204 18443 5613 1 9 . 1 1 23 23 MET CA C 23 54.184 54.184 54.288 -0.104 18443 5614 1 9 . 1 1 23 23 MET CB C 23 36.920 36.920 34.025 2.895 18443 5615 1 9 . 1 1 23 23 MET H H 23 8.704 8.704 9.006 -0.302 18443 5616 1 9 . 1 1 24 24 VAL N N 24 128.959 128.959 129.221 -0.262 18443 5617 1 9 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.957 0.381 18443 5618 1 9 . 1 1 24 24 VAL C C 24 174.245 174.245 174.130 0.115 18443 5619 1 9 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.061 -0.308 18443 5620 1 9 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.459 0.362 18443 5621 1 9 . 1 1 24 24 VAL H H 24 9.908 9.908 8.989 0.919 18443 5622 1 9 . 1 1 25 25 TYR N N 25 129.726 129.726 130.599 -0.873 18443 5623 1 9 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.937 0.290 18443 5624 1 9 . 1 1 25 25 TYR C C 25 173.393 173.393 173.945 -0.552 18443 5625 1 9 . 1 1 25 25 TYR CA C 25 53.083 53.083 56.066 -2.983 18443 5626 1 9 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.653 -0.134 18443 5627 1 9 . 1 1 25 25 TYR H H 25 9.031 9.031 8.970 0.061 18443 5628 1 9 . 1 1 26 26 PHE N N 26 126.719 126.719 127.363 -0.644 18443 5629 1 9 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.585 0.510 18443 5630 1 9 . 1 1 26 26 PHE C C 26 174.151 174.151 174.748 -0.597 18443 5631 1 9 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.686 -0.248 18443 5632 1 9 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.778 0.846 18443 5633 1 9 . 1 1 26 26 PHE H H 26 9.162 9.162 8.981 0.181 18443 5634 1 9 . 1 1 27 27 HIS N N 27 118.311 118.311 119.586 -1.275 18443 5635 1 9 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.945 0.217 18443 5636 1 9 . 1 1 27 27 HIS C C 27 173.044 173.044 173.373 -0.329 18443 5637 1 9 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.769 -0.309 18443 5638 1 9 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.745 2.343 18443 5639 1 9 . 1 1 27 27 HIS H H 27 8.168 8.168 8.933 -0.765 18443 5640 1 9 . 1 1 28 28 SER N N 28 112.150 112.150 116.425 -4.275 18443 5641 1 9 . 1 1 28 28 SER HA H 28 4.790 4.790 4.658 0.132 18443 5642 1 9 . 1 1 28 28 SER C C 28 176.815 176.815 174.367 2.448 18443 5643 1 9 . 1 1 28 28 SER CA C 28 56.260 56.260 55.324 0.936 18443 5644 1 9 . 1 1 28 28 SER CB C 28 65.470 65.470 65.392 0.077 18443 5645 1 9 . 1 1 28 28 SER H H 28 7.545 7.545 8.660 -1.115 18443 5646 1 9 . 1 1 29 29 GLU N N 29 130.603 130.603 125.600 5.003 18443 5647 1 9 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.218 -0.118 18443 5648 1 9 . 1 1 29 29 GLU C C 29 176.980 176.980 175.777 1.203 18443 5649 1 9 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.898 0.772 18443 5650 1 9 . 1 1 29 29 GLU CB C 29 29.639 29.639 28.485 1.154 18443 5651 1 9 . 1 1 29 29 GLU H H 29 9.681 9.681 8.616 1.065 18443 5652 1 9 . 1 1 30 30 HIS N N 30 114.752 114.752 117.917 -3.165 18443 5653 1 9 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.769 -0.075 18443 5654 1 9 . 1 1 30 30 HIS C C 30 173.679 173.679 175.247 -1.568 18443 5655 1 9 . 1 1 30 30 HIS CA C 30 54.393 54.393 55.226 -0.833 18443 5656 1 9 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.180 -0.808 18443 5657 1 9 . 1 1 30 30 HIS H H 30 8.226 8.226 7.619 0.607 18443 5658 1 9 . 1 1 31 31 CYS N N 31 124.685 124.685 120.966 3.719 18443 5659 1 9 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.816 0.130 18443 5660 1 9 . 1 1 31 31 CYS C C 31 175.771 175.771 175.182 0.589 18443 5661 1 9 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.236 -0.120 18443 5662 1 9 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.521 3.894 18443 5663 1 9 . 1 1 31 31 CYS H H 31 7.091 7.091 7.534 -0.443 18443 5664 1 9 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.433 -0.099 18443 5665 1 9 . 1 1 32 32 PRO C C 32 179.352 179.352 177.211 2.141 18443 5666 1 9 . 1 1 32 32 PRO CA C 32 64.193 64.193 64.469 -0.276 18443 5667 1 9 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.033 0.039 18443 5668 1 9 . 1 1 33 33 TYR N N 33 125.092 125.092 118.810 6.282 18443 5669 1 9 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.498 -0.003 18443 5670 1 9 . 1 1 33 33 TYR C C 33 179.457 179.457 177.057 2.400 18443 5671 1 9 . 1 1 33 33 TYR CA C 33 60.880 60.880 59.433 1.447 18443 5672 1 9 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.522 -0.177 18443 5673 1 9 . 1 1 33 33 TYR H H 33 8.621 8.621 8.582 0.039 18443 5674 1 9 . 1 1 34 34 CYS N N 34 127.272 127.272 118.982 8.290 18443 5675 1 9 . 1 1 34 34 CYS HA H 34 4.335 4.335 3.993 0.342 18443 5676 1 9 . 1 1 34 34 CYS C C 34 176.672 176.672 176.291 0.381 18443 5677 1 9 . 1 1 34 34 CYS CA C 34 64.159 64.159 62.174 1.985 18443 5678 1 9 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.478 1.399 18443 5679 1 9 . 1 1 34 34 CYS H H 34 9.440 9.440 8.707 0.733 18443 5680 1 9 . 1 1 35 35 GLN N N 35 118.373 118.373 118.566 -0.193 18443 5681 1 9 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.859 0.200 18443 5682 1 9 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.855 0.519 18443 5683 1 9 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.114 0.462 18443 5684 1 9 . 1 1 35 35 GLN H H 35 7.866 7.866 8.585 -0.719 18443 5685 1 9 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.168 0.078 18443 5686 1 9 . 1 1 36 36 GLN C C 36 178.881 178.881 178.140 0.741 18443 5687 1 9 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.268 1.358 18443 5688 1 9 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.702 -0.097 18443 5689 1 9 . 1 1 37 37 MET N N 37 117.759 117.759 119.908 -2.149 18443 5690 1 9 . 1 1 37 37 MET HA H 37 4.488 4.488 4.087 0.401 18443 5691 1 9 . 1 1 37 37 MET C C 37 179.838 179.838 177.747 2.091 18443 5692 1 9 . 1 1 37 37 MET CA C 37 57.229 57.229 57.943 -0.714 18443 5693 1 9 . 1 1 37 37 MET CB C 37 29.983 29.983 32.270 -2.287 18443 5694 1 9 . 1 1 37 37 MET H H 37 8.125 8.125 7.410 0.715 18443 5695 1 9 . 1 1 38 38 ASN N N 38 122.249 122.249 116.520 5.729 18443 5696 1 9 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.324 0.038 18443 5697 1 9 . 1 1 38 38 ASN C C 38 177.355 177.355 176.316 1.039 18443 5698 1 9 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.176 0.259 18443 5699 1 9 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.481 -0.969 18443 5700 1 9 . 1 1 38 38 ASN H H 38 9.245 9.245 8.676 0.569 18443 5701 1 9 . 1 1 39 39 THR N N 39 113.554 113.554 114.007 -0.453 18443 5702 1 9 . 1 1 39 39 THR HA H 39 3.853 3.853 3.933 -0.080 18443 5703 1 9 . 1 1 39 39 THR C C 39 176.277 176.277 175.151 1.126 18443 5704 1 9 . 1 1 39 39 THR CA C 39 65.843 65.843 65.338 0.505 18443 5705 1 9 . 1 1 39 39 THR CB C 39 69.595 69.595 68.792 0.803 18443 5706 1 9 . 1 1 39 39 THR H H 39 8.034 8.034 7.331 0.703 18443 5707 1 9 . 1 1 40 40 PHE N N 40 116.394 116.394 118.379 -1.985 18443 5708 1 9 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.537 0.283 18443 5709 1 9 . 1 1 40 40 PHE C C 40 176.255 176.255 177.060 -0.805 18443 5710 1 9 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.259 -1.544 18443 5711 1 9 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.160 1.725 18443 5712 1 9 . 1 1 40 40 PHE H H 40 8.309 8.309 8.005 0.304 18443 5713 1 9 . 1 1 41 41 VAL N N 41 117.246 117.246 118.914 -1.668 18443 5714 1 9 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.682 0.624 18443 5715 1 9 . 1 1 41 41 VAL C C 41 176.704 176.704 178.237 -1.533 18443 5716 1 9 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.232 -0.393 18443 5717 1 9 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.845 1.794 18443 5718 1 9 . 1 1 41 41 VAL H H 41 7.678 7.678 7.621 0.057 18443 5719 1 9 . 1 1 42 42 LEU N N 42 117.179 117.179 117.243 -0.064 18443 5720 1 9 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.107 -0.159 18443 5721 1 9 . 1 1 42 42 LEU C C 42 175.837 175.837 176.854 -1.017 18443 5722 1 9 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.922 1.374 18443 5723 1 9 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.120 -1.005 18443 5724 1 9 . 1 1 42 42 LEU H H 42 8.882 8.882 8.460 0.422 18443 5725 1 9 . 1 1 43 43 SER N N 43 105.494 105.494 112.348 -6.854 18443 5726 1 9 . 1 1 43 43 SER HA H 43 4.408 4.408 4.400 0.008 18443 5727 1 9 . 1 1 43 43 SER C C 43 175.397 175.397 174.865 0.532 18443 5728 1 9 . 1 1 43 43 SER CA C 43 57.144 57.144 58.013 -0.869 18443 5729 1 9 . 1 1 43 43 SER CB C 43 64.117 64.117 63.708 0.409 18443 5730 1 9 . 1 1 43 43 SER H H 43 6.785 6.785 7.415 -0.630 18443 5731 1 9 . 1 1 44 44 ASP N N 44 126.617 126.617 124.259 2.358 18443 5732 1 9 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.606 0.205 18443 5733 1 9 . 1 1 44 44 ASP C C 44 175.644 175.644 175.652 -0.008 18443 5734 1 9 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.905 -1.232 18443 5735 1 9 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.084 1.589 18443 5736 1 9 . 1 1 44 44 ASP H H 44 7.443 7.443 7.387 0.056 18443 5737 1 9 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.183 0.170 18443 5738 1 9 . 1 1 45 45 PRO C C 45 178.792 178.792 178.397 0.395 18443 5739 1 9 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.561 0.198 18443 5740 1 9 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.956 0.383 18443 5741 1 9 . 1 1 46 46 GLY N N 46 107.270 107.270 105.357 1.913 18443 5742 1 9 . 1 1 46 46 GLY C C 46 176.799 176.799 176.503 0.296 18443 5743 1 9 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.853 0.175 18443 5744 1 9 . 1 1 46 46 GLY H H 46 8.161 8.161 8.147 0.014 18443 5745 1 9 . 1 1 47 47 VAL N N 47 124.473 124.473 121.673 2.800 18443 5746 1 9 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.679 -0.084 18443 5747 1 9 . 1 1 47 47 VAL C C 47 177.886 177.886 178.095 -0.209 18443 5748 1 9 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.794 0.706 18443 5749 1 9 . 1 1 47 47 VAL CB C 47 32.425 32.425 30.981 1.444 18443 5750 1 9 . 1 1 47 47 VAL H H 47 8.344 8.344 8.530 -0.186 18443 5751 1 9 . 1 1 48 48 SER N N 48 113.807 113.807 115.738 -1.931 18443 5752 1 9 . 1 1 48 48 SER HA H 48 4.053 4.053 4.112 -0.059 18443 5753 1 9 . 1 1 48 48 SER C C 48 176.889 176.889 176.563 0.326 18443 5754 1 9 . 1 1 48 48 SER CA C 48 62.777 62.777 61.612 1.165 18443 5755 1 9 . 1 1 48 48 SER CB C 48 62.884 62.884 63.003 -0.119 18443 5756 1 9 . 1 1 48 48 SER H H 48 9.023 9.023 8.816 0.207 18443 5757 1 9 . 1 1 49 49 ARG N N 49 119.875 119.875 120.072 -0.197 18443 5758 1 9 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.104 0.060 18443 5759 1 9 . 1 1 49 49 ARG C C 49 179.398 179.398 178.884 0.514 18443 5760 1 9 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.049 0.509 18443 5761 1 9 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.065 0.182 18443 5762 1 9 . 1 1 49 49 ARG H H 49 8.081 8.081 8.029 0.052 18443 5763 1 9 . 1 1 50 50 LEU N N 50 121.717 121.717 119.306 2.411 18443 5764 1 9 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.172 0.207 18443 5765 1 9 . 1 1 50 50 LEU C C 50 179.482 179.482 178.232 1.250 18443 5766 1 9 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.318 0.888 18443 5767 1 9 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.893 -0.058 18443 5768 1 9 . 1 1 50 50 LEU H H 50 7.291 7.291 7.748 -0.457 18443 5769 1 9 . 1 1 51 51 LEU N N 51 118.677 118.677 118.988 -0.311 18443 5770 1 9 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.096 0.194 18443 5771 1 9 . 1 1 51 51 LEU C C 51 179.233 179.233 179.323 -0.090 18443 5772 1 9 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.037 1.306 18443 5773 1 9 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.749 1.637 18443 5774 1 9 . 1 1 51 51 LEU H H 51 8.358 8.358 7.184 1.174 18443 5775 1 9 . 1 1 52 52 GLU N N 52 116.437 116.437 117.945 -1.508 18443 5776 1 9 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.945 0.223 18443 5777 1 9 . 1 1 52 52 GLU C C 52 178.898 178.898 178.605 0.293 18443 5778 1 9 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.226 -0.233 18443 5779 1 9 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.156 1.049 18443 5780 1 9 . 1 1 52 52 GLU H H 52 8.715 8.715 8.700 0.015 18443 5781 1 9 . 1 1 53 53 ALA N N 53 119.092 119.092 119.399 -0.307 18443 5782 1 9 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.210 0.217 18443 5783 1 9 . 1 1 53 53 ALA C C 53 180.298 180.298 178.265 2.033 18443 5784 1 9 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.428 0.135 18443 5785 1 9 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.490 0.728 18443 5786 1 9 . 1 1 53 53 ALA H H 53 7.782 7.782 8.232 -0.450 18443 5787 1 9 . 1 1 54 54 ARG N N 54 111.562 111.562 113.114 -1.552 18443 5788 1 9 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.480 0.175 18443 5789 1 9 . 1 1 54 54 ARG C C 54 175.560 175.560 174.393 1.167 18443 5790 1 9 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.121 -0.090 18443 5791 1 9 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.300 3.037 18443 5792 1 9 . 1 1 54 54 ARG H H 54 7.740 7.740 7.773 -0.033 18443 5793 1 9 . 1 1 55 55 PHE N N 55 117.038 117.038 120.731 -3.693 18443 5794 1 9 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.604 0.058 18443 5795 1 9 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.925 -0.097 18443 5796 1 9 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.011 0.272 18443 5797 1 9 . 1 1 55 55 PHE H H 55 8.555 8.555 8.253 0.302 18443 5798 1 9 . 1 1 56 56 VAL N N 56 121.038 121.038 123.854 -2.816 18443 5799 1 9 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.287 0.038 18443 5800 1 9 . 1 1 56 56 VAL C C 56 175.305 175.305 175.002 0.303 18443 5801 1 9 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.723 1.223 18443 5802 1 9 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.978 1.527 18443 5803 1 9 . 1 1 56 56 VAL H H 56 8.817 8.817 9.395 -0.578 18443 5804 1 9 . 1 1 57 57 VAL N N 57 125.781 125.781 129.137 -3.356 18443 5805 1 9 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.257 0.719 18443 5806 1 9 . 1 1 57 57 VAL C C 57 174.535 174.535 174.502 0.033 18443 5807 1 9 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.660 -0.270 18443 5808 1 9 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.346 1.590 18443 5809 1 9 . 1 1 57 57 VAL H H 57 9.498 9.498 8.207 1.291 18443 5810 1 9 . 1 1 58 58 ALA N N 58 128.137 128.137 131.487 -3.350 18443 5811 1 9 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.586 0.035 18443 5812 1 9 . 1 1 58 58 ALA C C 58 175.953 175.953 176.992 -1.039 18443 5813 1 9 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.603 -0.839 18443 5814 1 9 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.659 1.056 18443 5815 1 9 . 1 1 58 58 ALA H H 58 9.062 9.062 9.207 -0.145 18443 5816 1 9 . 1 1 59 59 SER N N 59 117.343 117.343 120.919 -3.576 18443 5817 1 9 . 1 1 59 59 SER HA H 59 4.693 4.693 4.946 -0.253 18443 5818 1 9 . 1 1 59 59 SER C C 59 174.092 174.092 174.316 -0.224 18443 5819 1 9 . 1 1 59 59 SER CA C 59 56.135 56.135 57.488 -1.353 18443 5820 1 9 . 1 1 59 59 SER CB C 59 63.731 63.731 63.190 0.541 18443 5821 1 9 . 1 1 59 59 SER H H 59 8.676 8.676 9.051 -0.375 18443 5822 1 9 . 1 1 60 60 VAL N N 60 129.829 129.829 128.369 1.460 18443 5823 1 9 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.154 -0.225 18443 5824 1 9 . 1 1 60 60 VAL C C 60 172.999 172.999 174.343 -1.344 18443 5825 1 9 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.530 -0.008 18443 5826 1 9 . 1 1 60 60 VAL CB C 60 33.335 33.335 32.301 1.034 18443 5827 1 9 . 1 1 60 60 VAL H H 60 8.716 8.716 8.638 0.078 18443 5828 1 9 . 1 1 61 61 SER N N 61 119.457 119.457 123.424 -3.967 18443 5829 1 9 . 1 1 61 61 SER HA H 61 4.211 4.211 4.090 0.121 18443 5830 1 9 . 1 1 61 61 SER C C 61 178.511 178.511 175.353 3.158 18443 5831 1 9 . 1 1 61 61 SER CA C 61 55.404 55.404 57.230 -1.826 18443 5832 1 9 . 1 1 61 61 SER CB C 61 63.080 63.080 63.300 -0.220 18443 5833 1 9 . 1 1 61 61 SER H H 61 8.250 8.250 8.546 -0.296 18443 5834 1 9 . 1 1 62 62 VAL N N 62 123.331 123.331 125.571 -2.240 18443 5835 1 9 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.810 0.231 18443 5836 1 9 . 1 1 62 62 VAL C C 62 174.434 174.434 176.254 -1.820 18443 5837 1 9 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.220 -1.443 18443 5838 1 9 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.397 -1.530 18443 5839 1 9 . 1 1 62 62 VAL H H 62 8.954 8.954 8.734 0.220 18443 5840 1 9 . 1 1 63 63 ASP N N 63 119.953 119.953 118.621 1.332 18443 5841 1 9 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.442 0.277 18443 5842 1 9 . 1 1 63 63 ASP C C 63 175.930 175.930 176.596 -0.666 18443 5843 1 9 . 1 1 63 63 ASP CA C 63 54.930 54.930 56.190 -1.260 18443 5844 1 9 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.051 0.167 18443 5845 1 9 . 1 1 63 63 ASP H H 63 7.966 7.966 8.459 -0.493 18443 5846 1 9 . 1 1 64 64 THR N N 64 108.822 108.822 109.754 -0.932 18443 5847 1 9 . 1 1 64 64 THR HA H 64 4.963 4.963 4.811 0.152 18443 5848 1 9 . 1 1 64 64 THR C C 64 173.012 173.012 173.315 -0.303 18443 5849 1 9 . 1 1 64 64 THR CA C 64 58.176 58.176 58.553 -0.377 18443 5850 1 9 . 1 1 64 64 THR CB C 64 70.326 70.326 69.879 0.447 18443 5851 1 9 . 1 1 64 64 THR H H 64 7.315 7.315 7.459 -0.144 18443 5852 1 9 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.407 -0.119 18443 5853 1 9 . 1 1 65 65 PRO C C 65 180.307 180.307 178.397 1.910 18443 5854 1 9 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.838 0.003 18443 5855 1 9 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.759 0.203 18443 5856 1 9 . 1 1 66 66 GLU N N 66 118.398 118.398 118.077 0.321 18443 5857 1 9 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.154 0.007 18443 5858 1 9 . 1 1 66 66 GLU C C 66 179.940 179.940 178.938 1.002 18443 5859 1 9 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.626 0.313 18443 5860 1 9 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.821 1.050 18443 5861 1 9 . 1 1 66 66 GLU H H 66 9.304 9.304 8.934 0.370 18443 5862 1 9 . 1 1 67 67 GLY N N 67 110.592 110.592 108.270 2.322 18443 5863 1 9 . 1 1 67 67 GLY C C 67 176.529 176.529 176.329 0.200 18443 5864 1 9 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.008 0.856 18443 5865 1 9 . 1 1 67 67 GLY H H 67 8.172 8.172 7.803 0.369 18443 5866 1 9 . 1 1 68 68 GLN N N 68 121.948 121.948 121.850 0.098 18443 5867 1 9 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.910 0.103 18443 5868 1 9 . 1 1 68 68 GLN C C 68 179.366 179.366 178.248 1.118 18443 5869 1 9 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.194 -0.002 18443 5870 1 9 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.571 -0.637 18443 5871 1 9 . 1 1 68 68 GLN H H 68 8.504 8.504 8.596 -0.092 18443 5872 1 9 . 1 1 69 69 GLU N N 69 120.280 120.280 120.923 -0.643 18443 5873 1 9 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.073 0.097 18443 5874 1 9 . 1 1 69 69 GLU C C 69 179.360 179.360 178.731 0.629 18443 5875 1 9 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.157 0.333 18443 5876 1 9 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.105 -0.174 18443 5877 1 9 . 1 1 69 69 GLU H H 69 7.815 7.815 8.588 -0.773 18443 5878 1 9 . 1 1 70 70 LEU N N 70 121.041 121.041 120.053 0.988 18443 5879 1 9 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.092 0.024 18443 5880 1 9 . 1 1 70 70 LEU C C 70 178.961 178.961 179.275 -0.314 18443 5881 1 9 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.722 0.471 18443 5882 1 9 . 1 1 70 70 LEU CB C 70 42.727 42.727 40.776 1.951 18443 5883 1 9 . 1 1 70 70 LEU H H 70 7.758 7.758 7.688 0.070 18443 5884 1 9 . 1 1 71 71 ALA N N 71 122.094 122.094 122.274 -0.180 18443 5885 1 9 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.959 -0.386 18443 5886 1 9 . 1 1 71 71 ALA C C 71 179.966 179.966 179.417 0.549 18443 5887 1 9 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.538 -0.500 18443 5888 1 9 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.542 -1.123 18443 5889 1 9 . 1 1 71 71 ALA H H 71 8.745 8.745 8.732 0.013 18443 5890 1 9 . 1 1 72 72 ARG N N 72 118.463 118.463 118.104 0.359 18443 5891 1 9 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.035 0.086 18443 5892 1 9 . 1 1 72 72 ARG C C 72 180.905 180.905 178.178 2.727 18443 5893 1 9 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.998 0.526 18443 5894 1 9 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.781 0.521 18443 5895 1 9 . 1 1 72 72 ARG H H 72 7.862 7.862 8.169 -0.307 18443 5896 1 9 . 1 1 73 73 ARG N N 73 122.223 122.223 121.237 0.986 18443 5897 1 9 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.044 -0.086 18443 5898 1 9 . 1 1 73 73 ARG C C 73 178.562 178.562 178.378 0.184 18443 5899 1 9 . 1 1 73 73 ARG CA C 73 59.538 59.538 59.093 0.445 18443 5900 1 9 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.371 -0.180 18443 5901 1 9 . 1 1 73 73 ARG H H 73 8.189 8.189 8.188 0.001 18443 5902 1 9 . 1 1 74 74 TYR N N 74 114.319 114.319 115.532 -1.213 18443 5903 1 9 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.569 -0.168 18443 5904 1 9 . 1 1 74 74 TYR C C 74 174.321 174.321 174.799 -0.478 18443 5905 1 9 . 1 1 74 74 TYR CA C 74 59.784 59.784 58.902 0.882 18443 5906 1 9 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.622 0.642 18443 5907 1 9 . 1 1 74 74 TYR H H 74 8.047 8.047 8.344 -0.297 18443 5908 1 9 . 1 1 75 75 ARG N N 75 119.572 119.572 115.575 3.997 18443 5909 1 9 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.984 -0.115 18443 5910 1 9 . 1 1 75 75 ARG C C 75 175.880 175.880 174.377 1.503 18443 5911 1 9 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.512 0.328 18443 5912 1 9 . 1 1 75 75 ARG CB C 75 26.508 26.508 26.770 -0.262 18443 5913 1 9 . 1 1 75 75 ARG H H 75 7.865 7.865 7.610 0.255 18443 5914 1 9 . 1 1 76 76 VAL N N 76 119.885 119.885 121.251 -1.366 18443 5915 1 9 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.236 -0.445 18443 5916 1 9 . 1 1 76 76 VAL C C 76 176.374 176.374 173.791 2.583 18443 5917 1 9 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.605 1.151 18443 5918 1 9 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.345 -0.432 18443 5919 1 9 . 1 1 76 76 VAL H H 76 8.024 8.024 8.300 -0.276 18443 5920 1 9 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.708 -0.311 18443 5921 1 9 . 1 1 77 77 PRO C C 77 175.829 175.829 176.631 -0.802 18443 5922 1 9 . 1 1 77 77 PRO CA C 77 63.462 63.462 61.927 1.535 18443 5923 1 9 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.533 -0.776 18443 5924 1 9 . 1 1 78 78 GLY N N 78 105.453 105.453 111.550 -6.097 18443 5925 1 9 . 1 1 78 78 GLY C C 78 171.794 171.794 173.273 -1.479 18443 5926 1 9 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.045 -0.436 18443 5927 1 9 . 1 1 78 78 GLY H H 78 6.725 6.725 8.325 -1.600 18443 5928 1 9 . 1 1 79 79 THR N N 79 110.056 110.056 116.139 -6.083 18443 5929 1 9 . 1 1 79 79 THR HA H 79 4.886 4.886 4.069 0.817 18443 5930 1 9 . 1 1 79 79 THR CA C 79 57.957 57.957 63.150 -5.193 18443 5931 1 9 . 1 1 79 79 THR CB C 79 70.685 70.685 68.709 1.976 18443 5932 1 9 . 1 1 79 79 THR H H 79 8.771 8.771 7.888 0.883 18443 5933 1 9 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.597 0.482 18443 5934 1 9 . 1 1 80 80 PRO C C 80 176.536 176.536 175.788 0.748 18443 5935 1 9 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.093 0.466 18443 5936 1 9 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.372 3.299 18443 5937 1 9 . 1 1 81 81 THR N N 81 116.755 116.755 119.643 -2.888 18443 5938 1 9 . 1 1 81 81 THR HA H 81 5.425 5.425 5.051 0.374 18443 5939 1 9 . 1 1 81 81 THR C C 81 171.960 171.960 173.148 -1.188 18443 5940 1 9 . 1 1 81 81 THR CA C 81 63.540 63.540 61.539 2.001 18443 5941 1 9 . 1 1 81 81 THR CB C 81 71.840 71.840 71.779 0.061 18443 5942 1 9 . 1 1 81 81 THR H H 81 8.176 8.176 7.830 0.346 18443 5943 1 9 . 1 1 82 82 PHE N N 82 126.263 126.263 126.074 0.189 18443 5944 1 9 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.357 0.279 18443 5945 1 9 . 1 1 82 82 PHE C C 82 174.738 174.738 174.641 0.097 18443 5946 1 9 . 1 1 82 82 PHE CA C 82 55.770 55.770 55.866 -0.096 18443 5947 1 9 . 1 1 82 82 PHE CB C 82 41.280 41.280 41.116 0.164 18443 5948 1 9 . 1 1 82 82 PHE H H 82 9.540 9.540 9.153 0.387 18443 5949 1 9 . 1 1 83 83 VAL N N 83 123.703 123.703 122.736 0.967 18443 5950 1 9 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.786 -0.245 18443 5951 1 9 . 1 1 83 83 VAL C C 83 174.159 174.159 174.813 -0.654 18443 5952 1 9 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.206 0.823 18443 5953 1 9 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.133 1.974 18443 5954 1 9 . 1 1 83 83 VAL H H 83 9.208 9.208 8.879 0.329 18443 5955 1 9 . 1 1 84 84 PHE N N 84 126.003 126.003 127.914 -1.911 18443 5956 1 9 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.550 0.260 18443 5957 1 9 . 1 1 84 84 PHE C C 84 175.481 175.481 175.177 0.304 18443 5958 1 9 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.772 0.481 18443 5959 1 9 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.101 1.711 18443 5960 1 9 . 1 1 84 84 PHE H H 84 8.878 8.878 9.072 -0.194 18443 5961 1 9 . 1 1 85 85 LEU N N 85 123.597 123.597 124.024 -0.427 18443 5962 1 9 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.575 0.319 18443 5963 1 9 . 1 1 85 85 LEU C C 85 176.528 176.528 176.473 0.055 18443 5964 1 9 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.714 -0.344 18443 5965 1 9 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.236 3.963 18443 5966 1 9 . 1 1 85 85 LEU H H 85 9.604 9.604 9.136 0.468 18443 5967 1 9 . 1 1 86 86 VAL N N 86 118.274 118.274 123.606 -5.332 18443 5968 1 9 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.656 0.562 18443 5969 1 9 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.340 -1.779 18443 5970 1 9 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.767 1.726 18443 5971 1 9 . 1 1 86 86 VAL H H 86 9.457 9.457 9.362 0.095 18443 5972 1 9 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.283 -0.335 18443 5973 1 9 . 1 1 87 87 PRO C C 87 177.132 177.132 176.064 1.068 18443 5974 1 9 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.374 0.989 18443 5975 1 9 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.482 0.176 18443 5976 1 9 . 1 1 88 88 LYS N N 88 124.554 124.554 121.278 3.276 18443 5977 1 9 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.327 -0.048 18443 5978 1 9 . 1 1 88 88 LYS C C 88 175.739 175.739 176.147 -0.408 18443 5979 1 9 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.719 -0.069 18443 5980 1 9 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.590 0.109 18443 5981 1 9 . 1 1 88 88 LYS H H 88 8.119 8.119 8.360 -0.241 18443 5982 1 9 . 1 1 89 89 ALA N N 89 130.786 130.786 126.143 4.643 18443 5983 1 9 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.982 -0.012 18443 5984 1 9 . 1 1 89 89 ALA C C 89 176.947 176.947 177.116 -0.169 18443 5985 1 9 . 1 1 89 89 ALA CA C 89 53.190 53.190 54.010 -0.820 18443 5986 1 9 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.658 -0.279 18443 5987 1 9 . 1 1 89 89 ALA H H 89 9.128 9.128 8.749 0.379 18443 5988 1 9 . 1 1 90 90 GLY N N 90 106.698 106.698 106.736 -0.038 18443 5989 1 9 . 1 1 90 90 GLY C C 90 173.352 173.352 173.015 0.337 18443 5990 1 9 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.195 0.391 18443 5991 1 9 . 1 1 90 90 GLY H H 90 8.393 8.393 8.172 0.221 18443 5992 1 9 . 1 1 91 91 ALA N N 91 125.038 125.038 122.120 2.918 18443 5993 1 9 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.682 -0.105 18443 5994 1 9 . 1 1 91 91 ALA C C 91 175.940 175.940 174.242 1.698 18443 5995 1 9 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.556 -1.094 18443 5996 1 9 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.791 -0.140 18443 5997 1 9 . 1 1 91 91 ALA H H 91 7.788 7.788 7.768 0.020 18443 5998 1 9 . 1 1 92 92 TRP N N 92 120.760 120.760 119.389 1.371 18443 5999 1 9 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.275 -0.135 18443 6000 1 9 . 1 1 92 92 TRP C C 92 175.960 175.960 176.284 -0.324 18443 6001 1 9 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.350 0.501 18443 6002 1 9 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.458 1.215 18443 6003 1 9 . 1 1 92 92 TRP H H 92 8.235 8.235 8.401 -0.166 18443 6004 1 9 . 1 1 93 93 GLU N N 93 124.341 124.341 124.286 0.055 18443 6005 1 9 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.723 0.138 18443 6006 1 9 . 1 1 93 93 GLU C C 93 175.515 175.515 175.554 -0.039 18443 6007 1 9 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.925 -0.146 18443 6008 1 9 . 1 1 93 93 GLU CB C 93 33.192 33.192 32.636 0.556 18443 6009 1 9 . 1 1 93 93 GLU H H 93 9.264 9.264 9.140 0.124 18443 6010 1 9 . 1 1 94 94 GLU N N 94 126.987 126.987 129.416 -2.429 18443 6011 1 9 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.599 0.598 18443 6012 1 9 . 1 1 94 94 GLU C C 94 177.604 177.604 176.304 1.300 18443 6013 1 9 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.086 -0.482 18443 6014 1 9 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.415 0.663 18443 6015 1 9 . 1 1 94 94 GLU H H 94 9.123 9.123 9.202 -0.079 18443 6016 1 9 . 1 1 95 95 VAL N N 95 122.004 122.004 126.814 -4.810 18443 6017 1 9 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.182 0.510 18443 6018 1 9 . 1 1 95 95 VAL C C 95 175.719 175.719 174.264 1.455 18443 6019 1 9 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.073 -0.738 18443 6020 1 9 . 1 1 95 95 VAL CB C 95 33.265 33.265 33.329 -0.064 18443 6021 1 9 . 1 1 95 95 VAL H H 95 9.099 9.099 8.823 0.276 18443 6022 1 9 . 1 1 96 96 GLY N N 96 107.961 107.961 105.457 2.504 18443 6023 1 9 . 1 1 96 96 GLY C C 96 171.052 171.052 171.524 -0.472 18443 6024 1 9 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.582 0.530 18443 6025 1 9 . 1 1 96 96 GLY H H 96 7.754 7.754 7.436 0.318 18443 6026 1 9 . 1 1 97 97 ARG N N 97 117.467 117.467 126.528 -9.061 18443 6027 1 9 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.653 0.024 18443 6028 1 9 . 1 1 97 97 ARG C C 97 174.403 174.403 175.136 -0.733 18443 6029 1 9 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.118 0.508 18443 6030 1 9 . 1 1 97 97 ARG CB C 97 34.313 34.313 32.357 1.956 18443 6031 1 9 . 1 1 97 97 ARG H H 97 8.489 8.489 8.481 0.008 18443 6032 1 9 . 1 1 98 98 LEU N N 98 122.922 122.922 126.926 -4.004 18443 6033 1 9 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.917 0.008 18443 6034 1 9 . 1 1 98 98 LEU C C 98 174.871 174.871 174.898 -0.027 18443 6035 1 9 . 1 1 98 98 LEU CA C 98 53.971 53.971 53.938 0.033 18443 6036 1 9 . 1 1 98 98 LEU CB C 98 46.542 46.542 46.510 0.032 18443 6037 1 9 . 1 1 98 98 LEU H H 98 9.504 9.504 9.214 0.290 18443 6038 1 9 . 1 1 99 99 PHE N N 99 124.212 124.212 123.721 0.491 18443 6039 1 9 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.303 0.345 18443 6040 1 9 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.761 -1.010 18443 6041 1 9 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.298 -0.066 18443 6042 1 9 . 1 1 99 99 PHE H H 99 9.146 9.146 9.034 0.112 18443 6043 1 9 . 1 1 100 100 GLY N N 100 116.438 116.438 112.723 3.715 18443 6044 1 9 . 1 1 100 100 GLY C C 100 173.343 173.343 173.699 -0.356 18443 6045 1 9 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.511 -1.075 18443 6046 1 9 . 1 1 100 100 GLY H H 100 8.464 8.464 8.574 -0.110 18443 6047 1 9 . 1 1 101 101 SER N N 101 112.597 112.597 112.071 0.526 18443 6048 1 9 . 1 1 101 101 SER HA H 101 4.616 4.616 4.305 0.311 18443 6049 1 9 . 1 1 101 101 SER C C 101 175.075 175.075 174.146 0.929 18443 6050 1 9 . 1 1 101 101 SER CA C 101 58.288 58.288 59.714 -1.426 18443 6051 1 9 . 1 1 101 101 SER CB C 101 64.305 64.305 62.625 1.680 18443 6052 1 9 . 1 1 101 101 SER H H 101 8.366 8.366 8.814 -0.448 18443 6053 1 9 . 1 1 102 102 ARG N N 102 119.662 119.662 121.893 -2.231 18443 6054 1 9 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.408 0.523 18443 6055 1 9 . 1 1 102 102 ARG CA C 102 52.820 52.820 55.125 -2.305 18443 6056 1 9 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.356 1.086 18443 6057 1 9 . 1 1 102 102 ARG H H 102 7.767 7.767 7.924 -0.157 18443 6058 1 9 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.459 0.092 18443 6059 1 9 . 1 1 103 103 PRO C C 103 177.345 177.345 178.099 -0.754 18443 6060 1 9 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.845 -0.769 18443 6061 1 9 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.505 0.363 18443 6062 1 9 . 1 1 104 104 ARG N N 104 121.205 121.205 122.267 -1.062 18443 6063 1 9 . 1 1 104 104 ARG HA H 104 3.932 3.932 4.069 -0.137 18443 6064 1 9 . 1 1 104 104 ARG C C 104 177.368 177.368 177.994 -0.626 18443 6065 1 9 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.448 1.463 18443 6066 1 9 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.320 0.844 18443 6067 1 9 . 1 1 104 104 ARG H H 104 8.986 8.986 8.816 0.170 18443 6068 1 9 . 1 1 105 105 ALA N N 105 119.508 119.508 122.311 -2.803 18443 6069 1 9 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.145 -0.036 18443 6070 1 9 . 1 1 105 105 ALA C C 105 181.065 181.065 180.161 0.904 18443 6071 1 9 . 1 1 105 105 ALA CA C 105 55.745 55.745 55.034 0.711 18443 6072 1 9 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.898 0.398 18443 6073 1 9 . 1 1 105 105 ALA H H 105 9.033 9.033 8.644 0.389 18443 6074 1 9 . 1 1 106 106 GLU N N 106 117.537 117.537 118.647 -1.110 18443 6075 1 9 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.178 -0.049 18443 6076 1 9 . 1 1 106 106 GLU C C 106 178.041 178.041 178.803 -0.762 18443 6077 1 9 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.470 0.323 18443 6078 1 9 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.524 0.710 18443 6079 1 9 . 1 1 106 106 GLU H H 106 7.201 7.201 7.719 -0.518 18443 6080 1 9 . 1 1 107 107 PHE N N 107 120.721 120.721 122.198 -1.477 18443 6081 1 9 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.113 0.071 18443 6082 1 9 . 1 1 107 107 PHE C C 107 177.235 177.235 177.387 -0.152 18443 6083 1 9 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.894 -0.151 18443 6084 1 9 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.224 0.859 18443 6085 1 9 . 1 1 107 107 PHE H H 107 8.555 8.555 8.200 0.355 18443 6086 1 9 . 1 1 108 108 LEU N N 108 117.219 117.219 118.495 -1.276 18443 6087 1 9 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.840 -0.009 18443 6088 1 9 . 1 1 108 108 LEU C C 108 178.406 178.406 178.943 -0.537 18443 6089 1 9 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.779 0.705 18443 6090 1 9 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.498 0.654 18443 6091 1 9 . 1 1 108 108 LEU H H 108 8.364 8.364 9.040 -0.676 18443 6092 1 9 . 1 1 109 109 LYS N N 109 118.680 118.680 120.377 -1.697 18443 6093 1 9 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.926 -0.025 18443 6094 1 9 . 1 1 109 109 LYS C C 109 179.696 179.696 178.866 0.830 18443 6095 1 9 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.443 0.739 18443 6096 1 9 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.019 0.247 18443 6097 1 9 . 1 1 109 109 LYS H H 109 7.330 7.330 7.679 -0.349 18443 6098 1 9 . 1 1 110 110 GLU N N 110 119.802 119.802 119.211 0.591 18443 6099 1 9 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.000 -0.039 18443 6100 1 9 . 1 1 110 110 GLU C C 110 179.903 179.903 178.871 1.032 18443 6101 1 9 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.793 0.331 18443 6102 1 9 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.356 -0.584 18443 6103 1 9 . 1 1 110 110 GLU H H 110 8.077 8.077 8.032 0.045 18443 6104 1 9 . 1 1 111 111 LEU N N 111 120.129 120.129 120.540 -0.411 18443 6105 1 9 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.444 0.088 18443 6106 1 9 . 1 1 111 111 LEU C C 111 179.792 179.792 178.352 1.440 18443 6107 1 9 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.357 0.077 18443 6108 1 9 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.659 1.069 18443 6109 1 9 . 1 1 111 111 LEU H H 111 8.341 8.341 8.303 0.038 18443 6110 1 9 . 1 1 112 112 ARG N N 112 118.350 118.350 119.482 -1.132 18443 6111 1 9 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.894 0.002 18443 6112 1 9 . 1 1 112 112 ARG C C 112 179.446 179.446 178.136 1.310 18443 6113 1 9 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.719 1.604 18443 6114 1 9 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.471 0.407 18443 6115 1 9 . 1 1 112 112 ARG H H 112 8.166 8.166 7.990 0.176 18443 6116 1 9 . 1 1 113 113 GLN N N 113 118.358 118.358 118.933 -0.575 18443 6117 1 9 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.040 0.053 18443 6118 1 9 . 1 1 113 113 GLN C C 113 179.137 179.137 178.267 0.870 18443 6119 1 9 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.699 0.132 18443 6120 1 9 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.094 0.376 18443 6121 1 9 . 1 1 113 113 GLN H H 113 7.842 7.842 7.701 0.141 18443 6122 1 9 . 1 1 114 114 VAL N N 114 120.174 120.174 121.464 -1.290 18443 6123 1 9 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.676 -0.025 18443 6124 1 9 . 1 1 114 114 VAL C C 114 177.853 177.853 178.146 -0.293 18443 6125 1 9 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.930 -0.867 18443 6126 1 9 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.016 0.223 18443 6127 1 9 . 1 1 114 114 VAL H H 114 7.947 7.947 7.846 0.101 18443 6128 1 9 . 1 1 115 115 CYS N N 115 117.549 117.549 118.642 -1.093 18443 6129 1 9 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.240 -0.160 18443 6130 1 9 . 1 1 115 115 CYS C C 115 177.204 177.204 176.660 0.544 18443 6131 1 9 . 1 1 115 115 CYS CA C 115 63.574 63.574 62.603 0.971 18443 6132 1 9 . 1 1 115 115 CYS CB C 115 26.757 26.757 25.937 0.820 18443 6133 1 9 . 1 1 115 115 CYS H H 115 7.801 7.801 8.082 -0.281 18443 6134 1 9 . 1 1 116 116 VAL N N 116 119.053 119.053 120.517 -1.464 18443 6135 1 9 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.746 0.107 18443 6136 1 9 . 1 1 116 116 VAL C C 116 178.840 178.840 177.453 1.387 18443 6137 1 9 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.378 -0.936 18443 6138 1 9 . 1 1 116 116 VAL CB C 116 31.908 31.908 32.023 -0.115 18443 6139 1 9 . 1 1 116 116 VAL H H 116 7.465 7.465 7.505 -0.040 18443 6140 1 9 . 1 1 117 117 LYS N N 117 121.003 121.003 120.637 0.366 18443 6141 1 9 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.221 -0.045 18443 6142 1 9 . 1 1 117 117 LYS C C 117 178.689 178.689 179.382 -0.693 18443 6143 1 9 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.537 -0.982 18443 6144 1 9 . 1 1 117 117 LYS CB C 117 32.718 32.718 32.185 0.533 18443 6145 1 9 . 1 1 117 117 LYS H H 117 7.915 7.915 8.437 -0.522 18443 6146 1 9 . 1 1 118 118 GLY N N 118 106.132 106.132 105.271 0.861 18443 6147 1 9 . 1 1 118 118 GLY C C 118 174.909 174.909 175.464 -0.555 18443 6148 1 9 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.890 -0.926 18443 6149 1 9 . 1 1 118 118 GLY H H 118 8.472 8.472 8.149 0.323 18443 6150 1 9 . 1 1 119 119 GLY N N 119 107.977 107.977 108.706 -0.729 18443 6151 1 9 . 1 1 119 119 GLY C C 119 174.631 174.631 173.956 0.675 18443 6152 1 9 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.796 1.170 18443 6153 1 9 . 1 1 119 119 GLY H H 119 7.791 7.791 7.590 0.201 18443 6154 1 9 . 1 1 120 120 ALA N N 120 123.981 123.981 123.656 0.325 18443 6155 1 9 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.974 -0.561 18443 6156 1 9 . 1 1 120 120 ALA C C 120 178.143 178.143 177.394 0.749 18443 6157 1 9 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.107 1.709 18443 6158 1 9 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.149 -0.047 18443 6159 1 9 . 1 1 120 120 ALA H H 120 8.171 8.171 8.326 -0.155 18443 6160 1 9 . 1 1 121 121 CYS N N 121 117.342 117.342 120.364 -3.022 18443 6161 1 9 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.615 -0.105 18443 6162 1 9 . 1 1 121 121 CYS C C 121 175.318 175.318 175.409 -0.091 18443 6163 1 9 . 1 1 121 121 CYS CA C 121 58.974 58.974 58.672 0.302 18443 6164 1 9 . 1 1 121 121 CYS CB C 121 28.109 28.109 27.944 0.165 18443 6165 1 9 . 1 1 121 121 CYS H H 121 8.200 8.200 8.658 -0.458 18443 6166 1 9 . 1 1 122 122 GLY N N 122 110.351 110.351 108.105 2.246 18443 6167 1 9 . 1 1 122 122 GLY C C 122 174.299 174.299 174.778 -0.479 18443 6168 1 9 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.117 0.408 18443 6169 1 9 . 1 1 122 122 GLY H H 122 8.367 8.367 7.885 0.482 18443 6170 1 9 . 1 1 123 123 GLU N N 123 120.589 120.589 121.077 -0.488 18443 6171 1 9 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.273 0.034 18443 6172 1 9 . 1 1 123 123 GLU C C 123 177.296 177.296 178.328 -1.032 18443 6173 1 9 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.982 -0.152 18443 6174 1 9 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.750 0.711 18443 6175 1 9 . 1 1 123 123 GLU H H 123 8.280 8.280 8.370 -0.090 18443 6176 1 9 . 1 1 124 124 GLY N N 124 109.521 109.521 109.637 -0.116 18443 6177 1 9 . 1 1 124 124 GLY C C 124 174.189 174.189 173.819 0.370 18443 6178 1 9 . 1 1 124 124 GLY CA C 124 45.540 45.540 46.197 -0.657 18443 6179 1 9 . 1 1 124 124 GLY H H 124 8.465 8.465 8.534 -0.069 18443 6180 1 9 . 1 1 125 125 HIS N N 125 118.418 118.418 117.298 1.120 18443 6181 1 9 . 1 1 125 125 HIS CA C 125 55.971 55.971 56.155 -0.184 18443 6182 1 9 . 1 1 125 125 HIS CB C 125 30.073 30.073 32.139 -2.066 18443 6183 1 9 . 1 1 125 125 HIS H H 125 8.244 8.244 8.746 -0.502 18443 6184 1 10 . 1 1 2 2 SER HA H 2 4.050 4.050 4.620 -0.570 18443 6185 1 10 . 1 1 2 2 SER CA C 2 57.351 57.351 57.965 -0.614 18443 6186 1 10 . 1 1 2 2 SER CB C 2 63.259 63.259 63.873 -0.614 18443 6187 1 10 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.604 -0.302 18443 6188 1 10 . 1 1 3 3 LEU C C 3 175.706 175.706 176.693 -0.987 18443 6189 1 10 . 1 1 3 3 LEU CA C 3 55.286 55.286 54.759 0.527 18443 6190 1 10 . 1 1 3 3 LEU CB C 3 42.920 42.920 43.250 -0.330 18443 6191 1 10 . 1 1 4 4 ARG N N 4 127.222 127.222 123.700 3.522 18443 6192 1 10 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.302 0.016 18443 6193 1 10 . 1 1 4 4 ARG C C 4 173.862 173.862 174.742 -0.880 18443 6194 1 10 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.134 0.846 18443 6195 1 10 . 1 1 4 4 ARG CB C 4 31.326 31.326 28.906 2.420 18443 6196 1 10 . 1 1 4 4 ARG H H 4 8.502 8.502 8.135 0.367 18443 6197 1 10 . 1 1 5 5 TRP N N 5 123.052 123.052 126.121 -3.069 18443 6198 1 10 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.012 -0.012 18443 6199 1 10 . 1 1 5 5 TRP C C 5 176.309 176.309 176.221 0.088 18443 6200 1 10 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.805 -1.124 18443 6201 1 10 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.720 1.170 18443 6202 1 10 . 1 1 5 5 TRP H H 5 8.184 8.184 8.299 -0.115 18443 6203 1 10 . 1 1 6 6 TYR N N 6 120.957 120.957 123.185 -2.228 18443 6204 1 10 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.052 -0.073 18443 6205 1 10 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.802 1.382 18443 6206 1 10 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.439 0.898 18443 6207 1 10 . 1 1 6 6 TYR H H 6 8.818 8.818 9.277 -0.459 18443 6208 1 10 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.606 0.304 18443 6209 1 10 . 1 1 7 7 PRO C C 7 177.869 177.869 177.527 0.342 18443 6210 1 10 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.509 0.069 18443 6211 1 10 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.671 0.274 18443 6212 1 10 . 1 1 8 8 TYR N N 8 122.256 122.256 123.439 -1.183 18443 6213 1 10 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.042 0.001 18443 6214 1 10 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.275 -0.200 18443 6215 1 10 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.055 0.799 18443 6216 1 10 . 1 1 8 8 TYR H H 8 9.408 9.408 9.215 0.193 18443 6217 1 10 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.055 -0.013 18443 6218 1 10 . 1 1 9 9 PRO C C 9 180.472 180.472 178.812 1.660 18443 6219 1 10 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.735 0.651 18443 6220 1 10 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.246 -0.720 18443 6221 1 10 . 1 1 10 10 GLU N N 10 118.047 118.047 118.320 -0.273 18443 6222 1 10 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.056 -0.002 18443 6223 1 10 . 1 1 10 10 GLU C C 10 178.293 178.293 178.201 0.092 18443 6224 1 10 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.125 -0.095 18443 6225 1 10 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.364 0.945 18443 6226 1 10 . 1 1 10 10 GLU H H 10 7.093 7.093 8.582 -1.489 18443 6227 1 10 . 1 1 11 11 ALA N N 11 121.740 121.740 123.196 -1.456 18443 6228 1 10 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.955 -0.334 18443 6229 1 10 . 1 1 11 11 ALA C C 11 178.890 178.890 179.497 -0.607 18443 6230 1 10 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.414 -0.895 18443 6231 1 10 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.501 0.544 18443 6232 1 10 . 1 1 11 11 ALA H H 11 8.447 8.447 8.657 -0.210 18443 6233 1 10 . 1 1 12 12 LEU N N 12 115.622 115.622 119.118 -3.496 18443 6234 1 10 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.728 -0.277 18443 6235 1 10 . 1 1 12 12 LEU C C 12 179.331 179.331 179.006 0.325 18443 6236 1 10 . 1 1 12 12 LEU CA C 12 58.523 58.523 58.185 0.338 18443 6237 1 10 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.946 -0.501 18443 6238 1 10 . 1 1 12 12 LEU H H 12 7.354 7.354 7.599 -0.245 18443 6239 1 10 . 1 1 13 13 ALA N N 13 120.240 120.240 122.283 -2.043 18443 6240 1 10 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.159 0.016 18443 6241 1 10 . 1 1 13 13 ALA C C 13 181.630 181.630 179.801 1.829 18443 6242 1 10 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.106 0.219 18443 6243 1 10 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.214 -0.059 18443 6244 1 10 . 1 1 13 13 ALA H H 13 7.201 7.201 7.645 -0.444 18443 6245 1 10 . 1 1 14 14 LEU N N 14 120.757 120.757 120.757 0.000 18443 6246 1 10 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.814 0.273 18443 6247 1 10 . 1 1 14 14 LEU C C 14 179.635 179.635 178.969 0.666 18443 6248 1 10 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.533 0.155 18443 6249 1 10 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.594 2.198 18443 6250 1 10 . 1 1 14 14 LEU H H 14 8.202 8.202 8.310 -0.108 18443 6251 1 10 . 1 1 15 15 ALA N N 15 121.483 121.483 120.169 1.314 18443 6252 1 10 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.952 -0.078 18443 6253 1 10 . 1 1 15 15 ALA C C 15 180.839 180.839 179.773 1.066 18443 6254 1 10 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.146 1.102 18443 6255 1 10 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.445 1.192 18443 6256 1 10 . 1 1 15 15 ALA H H 15 8.594 8.594 8.130 0.464 18443 6257 1 10 . 1 1 16 16 GLN N N 16 117.131 117.131 120.377 -3.246 18443 6258 1 10 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.044 -0.075 18443 6259 1 10 . 1 1 16 16 GLN C C 16 178.701 178.701 178.336 0.365 18443 6260 1 10 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.848 0.305 18443 6261 1 10 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.805 0.074 18443 6262 1 10 . 1 1 16 16 GLN H H 16 8.609 8.609 8.569 0.040 18443 6263 1 10 . 1 1 17 17 ALA N N 17 120.088 120.088 120.091 -0.003 18443 6264 1 10 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.333 -0.214 18443 6265 1 10 . 1 1 17 17 ALA C C 17 179.305 179.305 178.037 1.268 18443 6266 1 10 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.865 0.754 18443 6267 1 10 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.999 -0.736 18443 6268 1 10 . 1 1 17 17 ALA H H 17 7.635 7.635 8.249 -0.614 18443 6269 1 10 . 1 1 18 18 HIS N N 18 111.636 111.636 115.064 -3.428 18443 6270 1 10 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.668 0.144 18443 6271 1 10 . 1 1 18 18 HIS C C 18 175.021 175.021 175.550 -0.529 18443 6272 1 10 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.220 0.317 18443 6273 1 10 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.152 0.059 18443 6274 1 10 . 1 1 18 18 HIS H H 18 7.728 7.728 7.471 0.257 18443 6275 1 10 . 1 1 19 19 GLY N N 19 111.899 111.899 108.820 3.079 18443 6276 1 10 . 1 1 19 19 GLY C C 19 175.071 175.071 174.238 0.833 18443 6277 1 10 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.687 1.968 18443 6278 1 10 . 1 1 19 19 GLY H H 19 7.886 7.886 8.187 -0.301 18443 6279 1 10 . 1 1 20 20 ARG N N 20 118.442 118.442 119.039 -0.597 18443 6280 1 10 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.518 0.093 18443 6281 1 10 . 1 1 20 20 ARG C C 20 174.586 174.586 175.492 -0.906 18443 6282 1 10 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.680 0.832 18443 6283 1 10 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.591 1.684 18443 6284 1 10 . 1 1 20 20 ARG H H 20 8.239 8.239 8.200 0.039 18443 6285 1 10 . 1 1 21 21 MET N N 21 115.457 115.457 118.289 -2.832 18443 6286 1 10 . 1 1 21 21 MET HA H 21 4.870 4.870 4.707 0.163 18443 6287 1 10 . 1 1 21 21 MET C C 21 175.707 175.707 175.171 0.536 18443 6288 1 10 . 1 1 21 21 MET CA C 21 56.111 56.111 55.253 0.858 18443 6289 1 10 . 1 1 21 21 MET CB C 21 35.717 35.717 35.194 0.522 18443 6290 1 10 . 1 1 21 21 MET H H 21 7.193 7.193 8.731 -1.538 18443 6291 1 10 . 1 1 22 22 VAL N N 22 119.607 119.607 119.957 -0.350 18443 6292 1 10 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.867 0.443 18443 6293 1 10 . 1 1 22 22 VAL C C 22 176.506 176.506 174.719 1.787 18443 6294 1 10 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.107 -0.678 18443 6295 1 10 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.310 2.348 18443 6296 1 10 . 1 1 22 22 VAL H H 22 9.034 9.034 9.308 -0.274 18443 6297 1 10 . 1 1 23 23 MET N N 23 126.309 126.309 128.550 -2.241 18443 6298 1 10 . 1 1 23 23 MET HA H 23 4.878 4.878 5.125 -0.247 18443 6299 1 10 . 1 1 23 23 MET C C 23 173.960 173.960 174.172 -0.212 18443 6300 1 10 . 1 1 23 23 MET CA C 23 54.184 54.184 54.020 0.164 18443 6301 1 10 . 1 1 23 23 MET CB C 23 36.920 36.920 34.802 2.118 18443 6302 1 10 . 1 1 23 23 MET H H 23 8.704 8.704 9.257 -0.553 18443 6303 1 10 . 1 1 24 24 VAL N N 24 128.959 128.959 128.984 -0.025 18443 6304 1 10 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.048 0.290 18443 6305 1 10 . 1 1 24 24 VAL C C 24 174.245 174.245 174.013 0.232 18443 6306 1 10 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.932 -0.179 18443 6307 1 10 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.854 -0.033 18443 6308 1 10 . 1 1 24 24 VAL H H 24 9.908 9.908 9.267 0.641 18443 6309 1 10 . 1 1 25 25 TYR N N 25 129.726 129.726 130.642 -0.916 18443 6310 1 10 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.163 0.064 18443 6311 1 10 . 1 1 25 25 TYR C C 25 173.393 173.393 173.714 -0.321 18443 6312 1 10 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.524 -2.441 18443 6313 1 10 . 1 1 25 25 TYR CB C 25 39.518 39.518 40.130 -0.612 18443 6314 1 10 . 1 1 25 25 TYR H H 25 9.031 9.031 8.823 0.208 18443 6315 1 10 . 1 1 26 26 PHE N N 26 126.719 126.719 127.764 -1.045 18443 6316 1 10 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.624 0.471 18443 6317 1 10 . 1 1 26 26 PHE C C 26 174.151 174.151 174.752 -0.601 18443 6318 1 10 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.525 -0.087 18443 6319 1 10 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.980 0.644 18443 6320 1 10 . 1 1 26 26 PHE H H 26 9.162 9.162 9.065 0.097 18443 6321 1 10 . 1 1 27 27 HIS N N 27 118.311 118.311 120.559 -2.248 18443 6322 1 10 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.088 0.074 18443 6323 1 10 . 1 1 27 27 HIS C C 27 173.044 173.044 173.948 -0.904 18443 6324 1 10 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.600 -0.140 18443 6325 1 10 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.214 1.874 18443 6326 1 10 . 1 1 27 27 HIS H H 27 8.168 8.168 8.777 -0.609 18443 6327 1 10 . 1 1 28 28 SER N N 28 112.150 112.150 114.026 -1.876 18443 6328 1 10 . 1 1 28 28 SER HA H 28 4.790 4.790 5.216 -0.426 18443 6329 1 10 . 1 1 28 28 SER C C 28 176.815 176.815 173.719 3.096 18443 6330 1 10 . 1 1 28 28 SER CA C 28 56.260 56.260 56.619 -0.359 18443 6331 1 10 . 1 1 28 28 SER CB C 28 65.470 65.470 66.427 -0.957 18443 6332 1 10 . 1 1 28 28 SER H H 28 7.545 7.545 8.477 -0.932 18443 6333 1 10 . 1 1 29 29 GLU N N 29 130.603 130.603 124.464 6.139 18443 6334 1 10 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.078 0.022 18443 6335 1 10 . 1 1 29 29 GLU C C 29 176.980 176.980 177.356 -0.376 18443 6336 1 10 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.389 0.281 18443 6337 1 10 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.847 -0.208 18443 6338 1 10 . 1 1 29 29 GLU H H 29 9.681 9.681 9.431 0.250 18443 6339 1 10 . 1 1 30 30 HIS N N 30 114.752 114.752 116.794 -2.042 18443 6340 1 10 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.532 0.162 18443 6341 1 10 . 1 1 30 30 HIS C C 30 173.679 173.679 174.944 -1.265 18443 6342 1 10 . 1 1 30 30 HIS CA C 30 54.393 54.393 57.511 -3.118 18443 6343 1 10 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.004 -0.632 18443 6344 1 10 . 1 1 30 30 HIS H H 30 8.226 8.226 8.356 -0.130 18443 6345 1 10 . 1 1 31 31 CYS N N 31 124.685 124.685 119.048 5.637 18443 6346 1 10 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.904 0.042 18443 6347 1 10 . 1 1 31 31 CYS C C 31 175.771 175.771 173.644 2.127 18443 6348 1 10 . 1 1 31 31 CYS CA C 31 56.116 56.116 55.660 0.456 18443 6349 1 10 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.290 3.125 18443 6350 1 10 . 1 1 31 31 CYS H H 31 7.091 7.091 7.790 -0.699 18443 6351 1 10 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.682 -0.348 18443 6352 1 10 . 1 1 32 32 PRO C C 32 179.352 179.352 175.525 3.827 18443 6353 1 10 . 1 1 32 32 PRO CA C 32 64.193 64.193 62.818 1.375 18443 6354 1 10 . 1 1 32 32 PRO CB C 32 32.072 32.072 30.239 1.833 18443 6355 1 10 . 1 1 33 33 TYR N N 33 125.092 125.092 120.916 4.176 18443 6356 1 10 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.389 0.106 18443 6357 1 10 . 1 1 33 33 TYR C C 33 179.457 179.457 176.756 2.701 18443 6358 1 10 . 1 1 33 33 TYR CA C 33 60.880 60.880 61.867 -0.987 18443 6359 1 10 . 1 1 33 33 TYR CB C 33 38.345 38.345 39.357 -1.012 18443 6360 1 10 . 1 1 33 33 TYR H H 33 8.621 8.621 7.707 0.914 18443 6361 1 10 . 1 1 34 34 CYS N N 34 127.272 127.272 117.743 9.529 18443 6362 1 10 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.321 0.014 18443 6363 1 10 . 1 1 34 34 CYS C C 34 176.672 176.672 176.472 0.200 18443 6364 1 10 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.750 3.409 18443 6365 1 10 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.619 1.258 18443 6366 1 10 . 1 1 34 34 CYS H H 34 9.440 9.440 8.808 0.632 18443 6367 1 10 . 1 1 35 35 GLN N N 35 118.373 118.373 119.583 -1.210 18443 6368 1 10 . 1 1 35 35 GLN HA H 35 4.059 4.059 4.086 -0.027 18443 6369 1 10 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.202 1.172 18443 6370 1 10 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.528 0.048 18443 6371 1 10 . 1 1 35 35 GLN H H 35 7.866 7.866 8.694 -0.828 18443 6372 1 10 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.120 0.126 18443 6373 1 10 . 1 1 36 36 GLN C C 36 178.881 178.881 178.132 0.749 18443 6374 1 10 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.746 0.880 18443 6375 1 10 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.597 0.008 18443 6376 1 10 . 1 1 37 37 MET N N 37 117.759 117.759 118.432 -0.673 18443 6377 1 10 . 1 1 37 37 MET HA H 37 4.488 4.488 4.137 0.351 18443 6378 1 10 . 1 1 37 37 MET C C 37 179.838 179.838 178.531 1.307 18443 6379 1 10 . 1 1 37 37 MET CA C 37 57.229 57.229 59.104 -1.875 18443 6380 1 10 . 1 1 37 37 MET CB C 37 29.983 29.983 32.378 -2.395 18443 6381 1 10 . 1 1 37 37 MET H H 37 8.125 8.125 7.567 0.558 18443 6382 1 10 . 1 1 38 38 ASN N N 38 122.249 122.249 118.276 3.973 18443 6383 1 10 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.269 0.093 18443 6384 1 10 . 1 1 38 38 ASN C C 38 177.355 177.355 177.141 0.214 18443 6385 1 10 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.910 -0.475 18443 6386 1 10 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.520 -1.008 18443 6387 1 10 . 1 1 38 38 ASN H H 38 9.245 9.245 8.853 0.392 18443 6388 1 10 . 1 1 39 39 THR N N 39 113.554 113.554 115.158 -1.604 18443 6389 1 10 . 1 1 39 39 THR HA H 39 3.853 3.853 3.836 0.017 18443 6390 1 10 . 1 1 39 39 THR C C 39 176.277 176.277 174.740 1.537 18443 6391 1 10 . 1 1 39 39 THR CA C 39 65.843 65.843 65.900 -0.057 18443 6392 1 10 . 1 1 39 39 THR CB C 39 69.595 69.595 68.751 0.844 18443 6393 1 10 . 1 1 39 39 THR H H 39 8.034 8.034 7.376 0.658 18443 6394 1 10 . 1 1 40 40 PHE N N 40 116.394 116.394 117.363 -0.969 18443 6395 1 10 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.477 0.343 18443 6396 1 10 . 1 1 40 40 PHE C C 40 176.255 176.255 176.985 -0.730 18443 6397 1 10 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.386 -0.671 18443 6398 1 10 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.247 1.638 18443 6399 1 10 . 1 1 40 40 PHE H H 40 8.309 8.309 7.533 0.776 18443 6400 1 10 . 1 1 41 41 VAL N N 41 117.246 117.246 118.665 -1.419 18443 6401 1 10 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.712 0.594 18443 6402 1 10 . 1 1 41 41 VAL C C 41 176.704 176.704 177.921 -1.217 18443 6403 1 10 . 1 1 41 41 VAL CA C 41 65.839 65.839 65.980 -0.141 18443 6404 1 10 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.759 1.880 18443 6405 1 10 . 1 1 41 41 VAL H H 41 7.678 7.678 7.858 -0.180 18443 6406 1 10 . 1 1 42 42 LEU N N 42 117.179 117.179 117.850 -0.671 18443 6407 1 10 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.072 -0.124 18443 6408 1 10 . 1 1 42 42 LEU C C 42 175.837 175.837 177.317 -1.480 18443 6409 1 10 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.909 1.387 18443 6410 1 10 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.532 -1.417 18443 6411 1 10 . 1 1 42 42 LEU H H 42 8.882 8.882 8.206 0.676 18443 6412 1 10 . 1 1 43 43 SER N N 43 105.494 105.494 111.596 -6.102 18443 6413 1 10 . 1 1 43 43 SER HA H 43 4.408 4.408 4.413 -0.005 18443 6414 1 10 . 1 1 43 43 SER C C 43 175.397 175.397 173.732 1.665 18443 6415 1 10 . 1 1 43 43 SER CA C 43 57.144 57.144 58.890 -1.746 18443 6416 1 10 . 1 1 43 43 SER CB C 43 64.117 64.117 63.473 0.644 18443 6417 1 10 . 1 1 43 43 SER H H 43 6.785 6.785 7.508 -0.723 18443 6418 1 10 . 1 1 44 44 ASP N N 44 126.617 126.617 124.524 2.093 18443 6419 1 10 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.565 0.246 18443 6420 1 10 . 1 1 44 44 ASP C C 44 175.644 175.644 176.051 -0.407 18443 6421 1 10 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.414 -0.741 18443 6422 1 10 . 1 1 44 44 ASP CB C 44 43.673 43.673 41.947 1.726 18443 6423 1 10 . 1 1 44 44 ASP H H 44 7.443 7.443 7.336 0.107 18443 6424 1 10 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.236 0.116 18443 6425 1 10 . 1 1 45 45 PRO C C 45 178.792 178.792 178.285 0.507 18443 6426 1 10 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.064 0.695 18443 6427 1 10 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.022 0.317 18443 6428 1 10 . 1 1 46 46 GLY N N 46 107.270 107.270 104.899 2.371 18443 6429 1 10 . 1 1 46 46 GLY C C 46 176.799 176.799 176.029 0.770 18443 6430 1 10 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.721 0.307 18443 6431 1 10 . 1 1 46 46 GLY H H 46 8.161 8.161 9.066 -0.905 18443 6432 1 10 . 1 1 47 47 VAL N N 47 124.473 124.473 121.358 3.115 18443 6433 1 10 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.669 -0.074 18443 6434 1 10 . 1 1 47 47 VAL C C 47 177.886 177.886 177.574 0.312 18443 6435 1 10 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.834 0.666 18443 6436 1 10 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.745 0.680 18443 6437 1 10 . 1 1 47 47 VAL H H 47 8.344 8.344 7.289 1.055 18443 6438 1 10 . 1 1 48 48 SER N N 48 113.807 113.807 115.844 -2.037 18443 6439 1 10 . 1 1 48 48 SER HA H 48 4.053 4.053 4.092 -0.039 18443 6440 1 10 . 1 1 48 48 SER C C 48 176.889 176.889 176.163 0.726 18443 6441 1 10 . 1 1 48 48 SER CA C 48 62.777 62.777 61.673 1.104 18443 6442 1 10 . 1 1 48 48 SER CB C 48 62.884 62.884 62.911 -0.027 18443 6443 1 10 . 1 1 48 48 SER H H 48 9.023 9.023 8.632 0.391 18443 6444 1 10 . 1 1 49 49 ARG N N 49 119.875 119.875 121.020 -1.145 18443 6445 1 10 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.137 0.027 18443 6446 1 10 . 1 1 49 49 ARG C C 49 179.398 179.398 178.890 0.508 18443 6447 1 10 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.186 0.372 18443 6448 1 10 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.010 0.237 18443 6449 1 10 . 1 1 49 49 ARG H H 49 8.081 8.081 7.913 0.168 18443 6450 1 10 . 1 1 50 50 LEU N N 50 121.717 121.717 119.642 2.075 18443 6451 1 10 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.060 0.319 18443 6452 1 10 . 1 1 50 50 LEU C C 50 179.482 179.482 178.615 0.867 18443 6453 1 10 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.448 0.758 18443 6454 1 10 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.980 -0.145 18443 6455 1 10 . 1 1 50 50 LEU H H 50 7.291 7.291 7.759 -0.468 18443 6456 1 10 . 1 1 51 51 LEU N N 51 118.677 118.677 118.068 0.609 18443 6457 1 10 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.033 0.257 18443 6458 1 10 . 1 1 51 51 LEU C C 51 179.233 179.233 179.522 -0.289 18443 6459 1 10 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.204 1.139 18443 6460 1 10 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.295 2.091 18443 6461 1 10 . 1 1 51 51 LEU H H 51 8.358 8.358 7.585 0.773 18443 6462 1 10 . 1 1 52 52 GLU N N 52 116.437 116.437 118.277 -1.840 18443 6463 1 10 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.997 0.171 18443 6464 1 10 . 1 1 52 52 GLU C C 52 178.898 178.898 178.692 0.206 18443 6465 1 10 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.176 -0.183 18443 6466 1 10 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.182 1.023 18443 6467 1 10 . 1 1 52 52 GLU H H 52 8.715 8.715 8.701 0.014 18443 6468 1 10 . 1 1 53 53 ALA N N 53 119.092 119.092 119.549 -0.457 18443 6469 1 10 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.242 0.185 18443 6470 1 10 . 1 1 53 53 ALA C C 53 180.298 180.298 177.992 2.306 18443 6471 1 10 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.560 0.003 18443 6472 1 10 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.567 0.651 18443 6473 1 10 . 1 1 53 53 ALA H H 53 7.782 7.782 7.708 0.074 18443 6474 1 10 . 1 1 54 54 ARG N N 54 111.562 111.562 112.955 -1.393 18443 6475 1 10 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.466 0.189 18443 6476 1 10 . 1 1 54 54 ARG C C 54 175.560 175.560 174.473 1.087 18443 6477 1 10 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.065 -0.034 18443 6478 1 10 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.251 3.086 18443 6479 1 10 . 1 1 54 54 ARG H H 54 7.740 7.740 7.786 -0.046 18443 6480 1 10 . 1 1 55 55 PHE N N 55 117.038 117.038 120.784 -3.746 18443 6481 1 10 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.636 0.026 18443 6482 1 10 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.989 -0.161 18443 6483 1 10 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.278 0.004 18443 6484 1 10 . 1 1 55 55 PHE H H 55 8.555 8.555 8.617 -0.062 18443 6485 1 10 . 1 1 56 56 VAL N N 56 121.038 121.038 122.951 -1.913 18443 6486 1 10 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.428 -0.103 18443 6487 1 10 . 1 1 56 56 VAL C C 56 175.305 175.305 174.843 0.462 18443 6488 1 10 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.554 1.392 18443 6489 1 10 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.583 0.923 18443 6490 1 10 . 1 1 56 56 VAL H H 56 8.817 8.817 9.395 -0.578 18443 6491 1 10 . 1 1 57 57 VAL N N 57 125.781 125.781 128.237 -2.456 18443 6492 1 10 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.561 0.415 18443 6493 1 10 . 1 1 57 57 VAL C C 57 174.535 174.535 174.494 0.041 18443 6494 1 10 . 1 1 57 57 VAL CA C 57 61.390 61.390 60.781 0.609 18443 6495 1 10 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.450 0.485 18443 6496 1 10 . 1 1 57 57 VAL H H 57 9.498 9.498 8.192 1.306 18443 6497 1 10 . 1 1 58 58 ALA N N 58 128.137 128.137 130.283 -2.146 18443 6498 1 10 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.790 -0.169 18443 6499 1 10 . 1 1 58 58 ALA C C 58 175.953 175.953 177.288 -1.335 18443 6500 1 10 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.523 -0.759 18443 6501 1 10 . 1 1 58 58 ALA CB C 58 21.715 21.715 21.183 0.532 18443 6502 1 10 . 1 1 58 58 ALA H H 58 9.062 9.062 9.247 -0.185 18443 6503 1 10 . 1 1 59 59 SER N N 59 117.343 117.343 122.025 -4.682 18443 6504 1 10 . 1 1 59 59 SER HA H 59 4.693 4.693 5.025 -0.332 18443 6505 1 10 . 1 1 59 59 SER C C 59 174.092 174.092 173.822 0.270 18443 6506 1 10 . 1 1 59 59 SER CA C 59 56.135 56.135 58.424 -2.289 18443 6507 1 10 . 1 1 59 59 SER CB C 59 63.731 63.731 63.282 0.449 18443 6508 1 10 . 1 1 59 59 SER H H 59 8.676 8.676 8.917 -0.241 18443 6509 1 10 . 1 1 60 60 VAL N N 60 129.829 129.829 126.399 3.430 18443 6510 1 10 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.236 -0.307 18443 6511 1 10 . 1 1 60 60 VAL C C 60 172.999 172.999 174.190 -1.191 18443 6512 1 10 . 1 1 60 60 VAL CA C 60 61.522 61.522 60.576 0.946 18443 6513 1 10 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.888 -0.553 18443 6514 1 10 . 1 1 60 60 VAL H H 60 8.716 8.716 8.109 0.607 18443 6515 1 10 . 1 1 61 61 SER N N 61 119.457 119.457 121.640 -2.183 18443 6516 1 10 . 1 1 61 61 SER HA H 61 4.211 4.211 4.888 -0.677 18443 6517 1 10 . 1 1 61 61 SER C C 61 178.511 178.511 175.923 2.588 18443 6518 1 10 . 1 1 61 61 SER CA C 61 55.404 55.404 55.935 -0.531 18443 6519 1 10 . 1 1 61 61 SER CB C 61 63.080 63.080 64.310 -1.230 18443 6520 1 10 . 1 1 61 61 SER H H 61 8.250 8.250 8.661 -0.411 18443 6521 1 10 . 1 1 62 62 VAL N N 62 123.331 123.331 128.120 -4.789 18443 6522 1 10 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.711 0.330 18443 6523 1 10 . 1 1 62 62 VAL C C 62 174.434 174.434 176.357 -1.923 18443 6524 1 10 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.658 -1.881 18443 6525 1 10 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.220 -1.353 18443 6526 1 10 . 1 1 62 62 VAL H H 62 8.954 8.954 8.626 0.328 18443 6527 1 10 . 1 1 63 63 ASP N N 63 119.953 119.953 117.320 2.633 18443 6528 1 10 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.523 0.196 18443 6529 1 10 . 1 1 63 63 ASP C C 63 175.930 175.930 176.599 -0.669 18443 6530 1 10 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.922 -0.993 18443 6531 1 10 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.119 0.099 18443 6532 1 10 . 1 1 63 63 ASP H H 63 7.966 7.966 8.351 -0.385 18443 6533 1 10 . 1 1 64 64 THR N N 64 108.822 108.822 111.093 -2.271 18443 6534 1 10 . 1 1 64 64 THR HA H 64 4.963 4.963 4.717 0.246 18443 6535 1 10 . 1 1 64 64 THR C C 64 173.012 173.012 174.019 -1.007 18443 6536 1 10 . 1 1 64 64 THR CA C 64 58.176 58.176 58.891 -0.715 18443 6537 1 10 . 1 1 64 64 THR CB C 64 70.326 70.326 69.987 0.339 18443 6538 1 10 . 1 1 64 64 THR H H 64 7.315 7.315 7.495 -0.180 18443 6539 1 10 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.074 0.214 18443 6540 1 10 . 1 1 65 65 PRO C C 65 180.307 180.307 178.661 1.646 18443 6541 1 10 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.986 -0.145 18443 6542 1 10 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.603 0.358 18443 6543 1 10 . 1 1 66 66 GLU N N 66 118.398 118.398 118.478 -0.080 18443 6544 1 10 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.023 0.138 18443 6545 1 10 . 1 1 66 66 GLU C C 66 179.940 179.940 179.003 0.937 18443 6546 1 10 . 1 1 66 66 GLU CA C 66 59.939 59.939 60.326 -0.387 18443 6547 1 10 . 1 1 66 66 GLU CB C 66 28.871 28.871 28.567 0.304 18443 6548 1 10 . 1 1 66 66 GLU H H 66 9.304 9.304 8.873 0.431 18443 6549 1 10 . 1 1 67 67 GLY N N 67 110.592 110.592 106.618 3.974 18443 6550 1 10 . 1 1 67 67 GLY C C 67 176.529 176.529 176.350 0.179 18443 6551 1 10 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.313 0.551 18443 6552 1 10 . 1 1 67 67 GLY H H 67 8.172 8.172 7.749 0.423 18443 6553 1 10 . 1 1 68 68 GLN N N 68 121.948 121.948 122.117 -0.169 18443 6554 1 10 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.968 0.045 18443 6555 1 10 . 1 1 68 68 GLN C C 68 179.366 179.366 178.714 0.652 18443 6556 1 10 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.159 0.032 18443 6557 1 10 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.975 -1.041 18443 6558 1 10 . 1 1 68 68 GLN H H 68 8.504 8.504 8.654 -0.150 18443 6559 1 10 . 1 1 69 69 GLU N N 69 120.280 120.280 119.538 0.742 18443 6560 1 10 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.117 0.053 18443 6561 1 10 . 1 1 69 69 GLU C C 69 179.360 179.360 178.988 0.372 18443 6562 1 10 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.854 0.636 18443 6563 1 10 . 1 1 69 69 GLU CB C 69 28.931 28.931 28.999 -0.068 18443 6564 1 10 . 1 1 69 69 GLU H H 69 7.815 7.815 8.289 -0.474 18443 6565 1 10 . 1 1 70 70 LEU N N 70 121.041 121.041 121.512 -0.471 18443 6566 1 10 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.040 0.076 18443 6567 1 10 . 1 1 70 70 LEU C C 70 178.961 178.961 178.889 0.072 18443 6568 1 10 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.556 -0.363 18443 6569 1 10 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.647 1.080 18443 6570 1 10 . 1 1 70 70 LEU H H 70 7.758 7.758 7.876 -0.118 18443 6571 1 10 . 1 1 71 71 ALA N N 71 122.094 122.094 121.338 0.756 18443 6572 1 10 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.905 -0.332 18443 6573 1 10 . 1 1 71 71 ALA C C 71 179.966 179.966 179.961 0.005 18443 6574 1 10 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.227 -0.189 18443 6575 1 10 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.128 -0.709 18443 6576 1 10 . 1 1 71 71 ALA H H 71 8.745 8.745 8.620 0.125 18443 6577 1 10 . 1 1 72 72 ARG N N 72 118.463 118.463 117.792 0.671 18443 6578 1 10 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.059 0.062 18443 6579 1 10 . 1 1 72 72 ARG C C 72 180.905 180.905 178.147 2.758 18443 6580 1 10 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.546 0.978 18443 6581 1 10 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.227 0.075 18443 6582 1 10 . 1 1 72 72 ARG H H 72 7.862 7.862 7.765 0.097 18443 6583 1 10 . 1 1 73 73 ARG N N 73 122.223 122.223 120.367 1.856 18443 6584 1 10 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.102 -0.144 18443 6585 1 10 . 1 1 73 73 ARG C C 73 178.562 178.562 178.131 0.431 18443 6586 1 10 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.503 1.035 18443 6587 1 10 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.686 -0.495 18443 6588 1 10 . 1 1 73 73 ARG H H 73 8.189 8.189 7.678 0.511 18443 6589 1 10 . 1 1 74 74 TYR N N 74 114.319 114.319 116.233 -1.914 18443 6590 1 10 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.518 -0.117 18443 6591 1 10 . 1 1 74 74 TYR C C 74 174.321 174.321 175.199 -0.878 18443 6592 1 10 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.268 0.516 18443 6593 1 10 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.565 -0.301 18443 6594 1 10 . 1 1 74 74 TYR H H 74 8.047 8.047 8.414 -0.367 18443 6595 1 10 . 1 1 75 75 ARG N N 75 119.572 119.572 120.108 -0.536 18443 6596 1 10 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.974 -0.105 18443 6597 1 10 . 1 1 75 75 ARG C C 75 175.880 175.880 173.978 1.902 18443 6598 1 10 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.743 0.097 18443 6599 1 10 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.954 -1.446 18443 6600 1 10 . 1 1 75 75 ARG H H 75 7.865 7.865 7.785 0.080 18443 6601 1 10 . 1 1 76 76 VAL N N 76 119.885 119.885 122.698 -2.813 18443 6602 1 10 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.219 -0.428 18443 6603 1 10 . 1 1 76 76 VAL C C 76 176.374 176.374 174.075 2.299 18443 6604 1 10 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.496 2.260 18443 6605 1 10 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.751 -1.838 18443 6606 1 10 . 1 1 76 76 VAL H H 76 8.024 8.024 7.674 0.350 18443 6607 1 10 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.514 -0.117 18443 6608 1 10 . 1 1 77 77 PRO C C 77 175.829 175.829 176.099 -0.270 18443 6609 1 10 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.568 0.894 18443 6610 1 10 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.839 -1.082 18443 6611 1 10 . 1 1 78 78 GLY N N 78 105.453 105.453 105.090 0.363 18443 6612 1 10 . 1 1 78 78 GLY C C 78 171.794 171.794 173.813 -2.019 18443 6613 1 10 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.177 -0.568 18443 6614 1 10 . 1 1 78 78 GLY H H 78 6.725 6.725 8.666 -1.941 18443 6615 1 10 . 1 1 79 79 THR N N 79 110.056 110.056 112.874 -2.818 18443 6616 1 10 . 1 1 79 79 THR HA H 79 4.886 4.886 4.633 0.253 18443 6617 1 10 . 1 1 79 79 THR CA C 79 57.957 57.957 60.416 -2.458 18443 6618 1 10 . 1 1 79 79 THR CB C 79 70.685 70.685 70.350 0.335 18443 6619 1 10 . 1 1 79 79 THR H H 79 8.771 8.771 7.533 1.238 18443 6620 1 10 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.567 0.512 18443 6621 1 10 . 1 1 80 80 PRO C C 80 176.536 176.536 175.307 1.229 18443 6622 1 10 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.350 0.209 18443 6623 1 10 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.391 3.280 18443 6624 1 10 . 1 1 81 81 THR N N 81 116.755 116.755 121.206 -4.451 18443 6625 1 10 . 1 1 81 81 THR HA H 81 5.425 5.425 5.085 0.340 18443 6626 1 10 . 1 1 81 81 THR C C 81 171.960 171.960 173.335 -1.375 18443 6627 1 10 . 1 1 81 81 THR CA C 81 63.540 63.540 61.889 1.651 18443 6628 1 10 . 1 1 81 81 THR CB C 81 71.840 71.840 70.660 1.180 18443 6629 1 10 . 1 1 81 81 THR H H 81 8.176 8.176 7.961 0.215 18443 6630 1 10 . 1 1 82 82 PHE N N 82 126.263 126.263 127.812 -1.549 18443 6631 1 10 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.064 0.572 18443 6632 1 10 . 1 1 82 82 PHE C C 82 174.738 174.738 174.568 0.170 18443 6633 1 10 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.535 -0.765 18443 6634 1 10 . 1 1 82 82 PHE CB C 82 41.280 41.280 39.960 1.320 18443 6635 1 10 . 1 1 82 82 PHE H H 82 9.540 9.540 9.320 0.220 18443 6636 1 10 . 1 1 83 83 VAL N N 83 123.703 123.703 123.551 0.152 18443 6637 1 10 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.428 0.113 18443 6638 1 10 . 1 1 83 83 VAL C C 83 174.159 174.159 174.545 -0.386 18443 6639 1 10 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.421 0.608 18443 6640 1 10 . 1 1 83 83 VAL CB C 83 35.107 35.107 32.385 2.722 18443 6641 1 10 . 1 1 83 83 VAL H H 83 9.208 9.208 9.116 0.092 18443 6642 1 10 . 1 1 84 84 PHE N N 84 126.003 126.003 128.200 -2.197 18443 6643 1 10 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.442 0.368 18443 6644 1 10 . 1 1 84 84 PHE C C 84 175.481 175.481 175.065 0.416 18443 6645 1 10 . 1 1 84 84 PHE CA C 84 57.253 57.253 57.021 0.232 18443 6646 1 10 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.082 1.730 18443 6647 1 10 . 1 1 84 84 PHE H H 84 8.878 8.878 9.231 -0.353 18443 6648 1 10 . 1 1 85 85 LEU N N 85 123.597 123.597 124.437 -0.840 18443 6649 1 10 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.652 0.242 18443 6650 1 10 . 1 1 85 85 LEU C C 85 176.528 176.528 176.223 0.305 18443 6651 1 10 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.676 -0.306 18443 6652 1 10 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.636 3.563 18443 6653 1 10 . 1 1 85 85 LEU H H 85 9.604 9.604 9.502 0.102 18443 6654 1 10 . 1 1 86 86 VAL N N 86 118.274 118.274 124.173 -5.899 18443 6655 1 10 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.616 0.602 18443 6656 1 10 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.442 -1.881 18443 6657 1 10 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.510 1.983 18443 6658 1 10 . 1 1 86 86 VAL H H 86 9.457 9.457 9.372 0.085 18443 6659 1 10 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.723 -0.775 18443 6660 1 10 . 1 1 87 87 PRO C C 87 177.132 177.132 175.783 1.349 18443 6661 1 10 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.841 0.522 18443 6662 1 10 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.171 -0.513 18443 6663 1 10 . 1 1 88 88 LYS N N 88 124.554 124.554 122.952 1.602 18443 6664 1 10 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.519 -0.240 18443 6665 1 10 . 1 1 88 88 LYS C C 88 175.739 175.739 176.180 -0.441 18443 6666 1 10 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.520 0.130 18443 6667 1 10 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.522 0.176 18443 6668 1 10 . 1 1 88 88 LYS H H 88 8.119 8.119 8.288 -0.169 18443 6669 1 10 . 1 1 89 89 ALA N N 89 130.786 130.786 127.374 3.412 18443 6670 1 10 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.942 0.028 18443 6671 1 10 . 1 1 89 89 ALA C C 89 176.947 176.947 177.478 -0.531 18443 6672 1 10 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.717 -0.527 18443 6673 1 10 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.702 -0.323 18443 6674 1 10 . 1 1 89 89 ALA H H 89 9.128 9.128 8.862 0.266 18443 6675 1 10 . 1 1 90 90 GLY N N 90 106.698 106.698 106.708 -0.010 18443 6676 1 10 . 1 1 90 90 GLY C C 90 173.352 173.352 172.821 0.531 18443 6677 1 10 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.207 0.379 18443 6678 1 10 . 1 1 90 90 GLY H H 90 8.393 8.393 8.146 0.247 18443 6679 1 10 . 1 1 91 91 ALA N N 91 125.038 125.038 122.115 2.923 18443 6680 1 10 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.640 -0.063 18443 6681 1 10 . 1 1 91 91 ALA C C 91 175.940 175.940 174.345 1.595 18443 6682 1 10 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.249 -0.787 18443 6683 1 10 . 1 1 91 91 ALA CB C 91 20.652 20.652 21.101 -0.449 18443 6684 1 10 . 1 1 91 91 ALA H H 91 7.788 7.788 7.610 0.178 18443 6685 1 10 . 1 1 92 92 TRP N N 92 120.760 120.760 120.036 0.724 18443 6686 1 10 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.119 0.021 18443 6687 1 10 . 1 1 92 92 TRP C C 92 175.960 175.960 176.279 -0.319 18443 6688 1 10 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.328 0.523 18443 6689 1 10 . 1 1 92 92 TRP CB C 92 32.673 32.673 30.957 1.716 18443 6690 1 10 . 1 1 92 92 TRP H H 92 8.235 8.235 8.457 -0.222 18443 6691 1 10 . 1 1 93 93 GLU N N 93 124.341 124.341 124.780 -0.439 18443 6692 1 10 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.731 0.130 18443 6693 1 10 . 1 1 93 93 GLU C C 93 175.515 175.515 175.484 0.031 18443 6694 1 10 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.880 -0.101 18443 6695 1 10 . 1 1 93 93 GLU CB C 93 33.192 33.192 32.761 0.431 18443 6696 1 10 . 1 1 93 93 GLU H H 93 9.264 9.264 9.154 0.110 18443 6697 1 10 . 1 1 94 94 GLU N N 94 126.987 126.987 129.205 -2.218 18443 6698 1 10 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.591 0.606 18443 6699 1 10 . 1 1 94 94 GLU C C 94 177.604 177.604 176.146 1.458 18443 6700 1 10 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.829 -0.225 18443 6701 1 10 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.428 0.650 18443 6702 1 10 . 1 1 94 94 GLU H H 94 9.123 9.123 9.186 -0.063 18443 6703 1 10 . 1 1 95 95 VAL N N 95 122.004 122.004 127.171 -5.167 18443 6704 1 10 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.137 0.555 18443 6705 1 10 . 1 1 95 95 VAL C C 95 175.719 175.719 174.769 0.950 18443 6706 1 10 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.222 -0.887 18443 6707 1 10 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.736 0.529 18443 6708 1 10 . 1 1 95 95 VAL H H 95 9.099 9.099 8.869 0.230 18443 6709 1 10 . 1 1 96 96 GLY N N 96 107.961 107.961 105.887 2.074 18443 6710 1 10 . 1 1 96 96 GLY C C 96 171.052 171.052 171.602 -0.550 18443 6711 1 10 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.670 0.442 18443 6712 1 10 . 1 1 96 96 GLY H H 96 7.754 7.754 7.516 0.238 18443 6713 1 10 . 1 1 97 97 ARG N N 97 117.467 117.467 125.447 -7.980 18443 6714 1 10 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.714 -0.037 18443 6715 1 10 . 1 1 97 97 ARG C C 97 174.403 174.403 175.319 -0.916 18443 6716 1 10 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.049 0.577 18443 6717 1 10 . 1 1 97 97 ARG CB C 97 34.313 34.313 32.683 1.630 18443 6718 1 10 . 1 1 97 97 ARG H H 97 8.489 8.489 8.485 0.004 18443 6719 1 10 . 1 1 98 98 LEU N N 98 122.922 122.922 128.126 -5.204 18443 6720 1 10 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.932 -0.007 18443 6721 1 10 . 1 1 98 98 LEU C C 98 174.871 174.871 175.307 -0.436 18443 6722 1 10 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.200 -0.229 18443 6723 1 10 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.952 1.590 18443 6724 1 10 . 1 1 98 98 LEU H H 98 9.504 9.504 9.301 0.203 18443 6725 1 10 . 1 1 99 99 PHE N N 99 124.212 124.212 124.335 -0.123 18443 6726 1 10 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.738 -0.090 18443 6727 1 10 . 1 1 99 99 PHE CA C 99 55.751 55.751 57.027 -1.276 18443 6728 1 10 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.263 -0.031 18443 6729 1 10 . 1 1 99 99 PHE H H 99 9.146 9.146 8.855 0.291 18443 6730 1 10 . 1 1 100 100 GLY N N 100 116.438 116.438 114.310 2.128 18443 6731 1 10 . 1 1 100 100 GLY C C 100 173.343 173.343 172.085 1.258 18443 6732 1 10 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.700 -1.264 18443 6733 1 10 . 1 1 100 100 GLY H H 100 8.464 8.464 7.832 0.632 18443 6734 1 10 . 1 1 101 101 SER N N 101 112.597 112.597 116.467 -3.870 18443 6735 1 10 . 1 1 101 101 SER HA H 101 4.616 4.616 5.003 -0.387 18443 6736 1 10 . 1 1 101 101 SER C C 101 175.075 175.075 174.053 1.022 18443 6737 1 10 . 1 1 101 101 SER CA C 101 58.288 58.288 57.580 0.708 18443 6738 1 10 . 1 1 101 101 SER CB C 101 64.305 64.305 64.364 -0.059 18443 6739 1 10 . 1 1 101 101 SER H H 101 8.366 8.366 8.402 -0.036 18443 6740 1 10 . 1 1 102 102 ARG N N 102 119.662 119.662 125.887 -6.225 18443 6741 1 10 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.805 0.126 18443 6742 1 10 . 1 1 102 102 ARG CA C 102 52.820 52.820 53.665 -0.845 18443 6743 1 10 . 1 1 102 102 ARG CB C 102 31.442 31.442 31.656 -0.214 18443 6744 1 10 . 1 1 102 102 ARG H H 102 7.767 7.767 8.413 -0.646 18443 6745 1 10 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.505 0.046 18443 6746 1 10 . 1 1 103 103 PRO C C 103 177.345 177.345 177.629 -0.284 18443 6747 1 10 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.662 -0.586 18443 6748 1 10 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.448 0.420 18443 6749 1 10 . 1 1 104 104 ARG N N 104 121.205 121.205 121.900 -0.695 18443 6750 1 10 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.976 -0.044 18443 6751 1 10 . 1 1 104 104 ARG C C 104 177.368 177.368 178.045 -0.677 18443 6752 1 10 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.071 1.840 18443 6753 1 10 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.067 1.097 18443 6754 1 10 . 1 1 104 104 ARG H H 104 8.986 8.986 8.717 0.269 18443 6755 1 10 . 1 1 105 105 ALA N N 105 119.508 119.508 121.665 -2.157 18443 6756 1 10 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.192 -0.083 18443 6757 1 10 . 1 1 105 105 ALA C C 105 181.065 181.065 180.044 1.021 18443 6758 1 10 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.886 0.859 18443 6759 1 10 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.940 0.356 18443 6760 1 10 . 1 1 105 105 ALA H H 105 9.033 9.033 8.500 0.533 18443 6761 1 10 . 1 1 106 106 GLU N N 106 117.537 117.537 119.542 -2.005 18443 6762 1 10 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.074 0.055 18443 6763 1 10 . 1 1 106 106 GLU C C 106 178.041 178.041 178.861 -0.820 18443 6764 1 10 . 1 1 106 106 GLU CA C 106 58.793 58.793 59.223 -0.430 18443 6765 1 10 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.403 0.831 18443 6766 1 10 . 1 1 106 106 GLU H H 106 7.201 7.201 7.613 -0.412 18443 6767 1 10 . 1 1 107 107 PHE N N 107 120.721 120.721 121.090 -0.369 18443 6768 1 10 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.141 0.043 18443 6769 1 10 . 1 1 107 107 PHE C C 107 177.235 177.235 177.481 -0.246 18443 6770 1 10 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.563 0.180 18443 6771 1 10 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.171 0.912 18443 6772 1 10 . 1 1 107 107 PHE H H 107 8.555 8.555 8.252 0.303 18443 6773 1 10 . 1 1 108 108 LEU N N 108 117.219 117.219 119.546 -2.327 18443 6774 1 10 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.732 0.099 18443 6775 1 10 . 1 1 108 108 LEU C C 108 178.406 178.406 178.836 -0.430 18443 6776 1 10 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.157 0.327 18443 6777 1 10 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.442 0.710 18443 6778 1 10 . 1 1 108 108 LEU H H 108 8.364 8.364 8.487 -0.123 18443 6779 1 10 . 1 1 109 109 LYS N N 109 118.680 118.680 119.787 -1.107 18443 6780 1 10 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.849 0.052 18443 6781 1 10 . 1 1 109 109 LYS C C 109 179.696 179.696 179.098 0.598 18443 6782 1 10 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.931 0.251 18443 6783 1 10 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.159 0.107 18443 6784 1 10 . 1 1 109 109 LYS H H 109 7.330 7.330 7.678 -0.348 18443 6785 1 10 . 1 1 110 110 GLU N N 110 119.802 119.802 118.643 1.159 18443 6786 1 10 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.950 0.011 18443 6787 1 10 . 1 1 110 110 GLU C C 110 179.903 179.903 178.744 1.159 18443 6788 1 10 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.537 0.587 18443 6789 1 10 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.092 -0.320 18443 6790 1 10 . 1 1 110 110 GLU H H 110 8.077 8.077 7.752 0.325 18443 6791 1 10 . 1 1 111 111 LEU N N 111 120.129 120.129 121.017 -0.888 18443 6792 1 10 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.465 0.067 18443 6793 1 10 . 1 1 111 111 LEU C C 111 179.792 179.792 178.493 1.299 18443 6794 1 10 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.498 -0.064 18443 6795 1 10 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.654 1.074 18443 6796 1 10 . 1 1 111 111 LEU H H 111 8.341 8.341 8.250 0.091 18443 6797 1 10 . 1 1 112 112 ARG N N 112 118.350 118.350 119.224 -0.874 18443 6798 1 10 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.907 -0.011 18443 6799 1 10 . 1 1 112 112 ARG C C 112 179.446 179.446 178.699 0.747 18443 6800 1 10 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.870 1.453 18443 6801 1 10 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.486 0.392 18443 6802 1 10 . 1 1 112 112 ARG H H 112 8.166 8.166 8.167 -0.001 18443 6803 1 10 . 1 1 113 113 GLN N N 113 118.358 118.358 118.390 -0.032 18443 6804 1 10 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.081 0.012 18443 6805 1 10 . 1 1 113 113 GLN C C 113 179.137 179.137 178.678 0.459 18443 6806 1 10 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.385 0.446 18443 6807 1 10 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.413 0.057 18443 6808 1 10 . 1 1 113 113 GLN H H 113 7.842 7.842 7.611 0.231 18443 6809 1 10 . 1 1 114 114 VAL N N 114 120.174 120.174 120.660 -0.486 18443 6810 1 10 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.489 0.162 18443 6811 1 10 . 1 1 114 114 VAL C C 114 177.853 177.853 178.149 -0.296 18443 6812 1 10 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.298 -0.235 18443 6813 1 10 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.210 0.029 18443 6814 1 10 . 1 1 114 114 VAL H H 114 7.947 7.947 8.267 -0.320 18443 6815 1 10 . 1 1 115 115 CYS N N 115 117.549 117.549 118.878 -1.329 18443 6816 1 10 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.268 -0.188 18443 6817 1 10 . 1 1 115 115 CYS C C 115 177.204 177.204 177.167 0.037 18443 6818 1 10 . 1 1 115 115 CYS CA C 115 63.574 63.574 62.643 0.931 18443 6819 1 10 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.382 0.375 18443 6820 1 10 . 1 1 115 115 CYS H H 115 7.801 7.801 8.395 -0.594 18443 6821 1 10 . 1 1 116 116 VAL N N 116 119.053 119.053 119.785 -0.732 18443 6822 1 10 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.554 0.299 18443 6823 1 10 . 1 1 116 116 VAL C C 116 178.840 178.840 177.858 0.982 18443 6824 1 10 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.306 -0.864 18443 6825 1 10 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.617 0.291 18443 6826 1 10 . 1 1 116 116 VAL H H 116 7.465 7.465 7.479 -0.014 18443 6827 1 10 . 1 1 117 117 LYS N N 117 121.003 121.003 117.137 3.866 18443 6828 1 10 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.140 0.036 18443 6829 1 10 . 1 1 117 117 LYS C C 117 178.689 178.689 178.709 -0.020 18443 6830 1 10 . 1 1 117 117 LYS CA C 117 58.555 58.555 58.368 0.187 18443 6831 1 10 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.977 0.741 18443 6832 1 10 . 1 1 117 117 LYS H H 117 7.915 7.915 8.231 -0.316 18443 6833 1 10 . 1 1 118 118 GLY N N 118 106.132 106.132 107.072 -0.940 18443 6834 1 10 . 1 1 118 118 GLY C C 118 174.909 174.909 175.676 -0.767 18443 6835 1 10 . 1 1 118 118 GLY CA C 118 45.964 45.964 45.427 0.537 18443 6836 1 10 . 1 1 118 118 GLY H H 118 8.472 8.472 7.571 0.901 18443 6837 1 10 . 1 1 119 119 GLY N N 119 107.977 107.977 108.803 -0.826 18443 6838 1 10 . 1 1 119 119 GLY C C 119 174.631 174.631 173.891 0.740 18443 6839 1 10 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.974 -0.008 18443 6840 1 10 . 1 1 119 119 GLY H H 119 7.791 7.791 7.699 0.092 18443 6841 1 10 . 1 1 120 120 ALA N N 120 123.981 123.981 120.142 3.839 18443 6842 1 10 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.385 0.028 18443 6843 1 10 . 1 1 120 120 ALA C C 120 178.143 178.143 175.563 2.580 18443 6844 1 10 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.961 -0.145 18443 6845 1 10 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.285 -0.183 18443 6846 1 10 . 1 1 120 120 ALA H H 120 8.171 8.171 7.472 0.699 18443 6847 1 10 . 1 1 121 121 CYS N N 121 117.342 117.342 113.780 3.562 18443 6848 1 10 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.484 0.026 18443 6849 1 10 . 1 1 121 121 CYS C C 121 175.318 175.318 173.843 1.475 18443 6850 1 10 . 1 1 121 121 CYS CA C 121 58.974 58.974 59.072 -0.098 18443 6851 1 10 . 1 1 121 121 CYS CB C 121 28.109 28.109 28.410 -0.301 18443 6852 1 10 . 1 1 121 121 CYS H H 121 8.200 8.200 8.362 -0.162 18443 6853 1 10 . 1 1 122 122 GLY N N 122 110.351 110.351 108.955 1.396 18443 6854 1 10 . 1 1 122 122 GLY C C 122 174.299 174.299 174.541 -0.242 18443 6855 1 10 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.201 0.324 18443 6856 1 10 . 1 1 122 122 GLY H H 122 8.367 8.367 7.993 0.374 18443 6857 1 10 . 1 1 123 123 GLU N N 123 120.589 120.589 119.198 1.391 18443 6858 1 10 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.363 -0.056 18443 6859 1 10 . 1 1 123 123 GLU C C 123 177.296 177.296 177.647 -0.351 18443 6860 1 10 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.717 0.113 18443 6861 1 10 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.608 0.853 18443 6862 1 10 . 1 1 123 123 GLU H H 123 8.280 8.280 8.554 -0.274 18443 6863 1 10 . 1 1 124 124 GLY N N 124 109.521 109.521 109.589 -0.068 18443 6864 1 10 . 1 1 124 124 GLY C C 124 174.189 174.189 173.500 0.689 18443 6865 1 10 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.129 0.411 18443 6866 1 10 . 1 1 124 124 GLY H H 124 8.465 8.465 8.004 0.461 18443 6867 1 10 . 1 1 125 125 HIS N N 125 118.418 118.418 122.937 -4.519 18443 6868 1 10 . 1 1 125 125 HIS CA C 125 55.971 55.971 55.770 0.201 18443 6869 1 10 . 1 1 125 125 HIS CB C 125 30.073 30.073 32.560 -2.487 18443 6870 1 10 . 1 1 125 125 HIS H H 125 8.244 8.244 7.872 0.372 18443 6871 1 11 . 1 1 2 2 SER HA H 2 4.050 4.050 4.718 -0.668 18443 6872 1 11 . 1 1 2 2 SER CA C 2 57.351 57.351 58.502 -1.151 18443 6873 1 11 . 1 1 2 2 SER CB C 2 63.259 63.259 65.157 -1.898 18443 6874 1 11 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.715 -0.413 18443 6875 1 11 . 1 1 3 3 LEU C C 3 175.706 175.706 175.680 0.026 18443 6876 1 11 . 1 1 3 3 LEU CA C 3 55.286 55.286 54.332 0.954 18443 6877 1 11 . 1 1 3 3 LEU CB C 3 42.920 42.920 45.658 -2.739 18443 6878 1 11 . 1 1 4 4 ARG N N 4 127.222 127.222 125.057 2.165 18443 6879 1 11 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.427 -0.109 18443 6880 1 11 . 1 1 4 4 ARG C C 4 173.862 173.862 174.647 -0.785 18443 6881 1 11 . 1 1 4 4 ARG CA C 4 54.980 54.980 53.919 1.061 18443 6882 1 11 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.169 2.157 18443 6883 1 11 . 1 1 4 4 ARG H H 4 8.502 8.502 9.334 -0.832 18443 6884 1 11 . 1 1 5 5 TRP N N 5 123.052 123.052 125.365 -2.313 18443 6885 1 11 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.338 -0.338 18443 6886 1 11 . 1 1 5 5 TRP C C 5 176.309 176.309 176.224 0.085 18443 6887 1 11 . 1 1 5 5 TRP CA C 5 54.681 54.681 56.036 -1.355 18443 6888 1 11 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.138 0.752 18443 6889 1 11 . 1 1 5 5 TRP H H 5 8.184 8.184 8.017 0.167 18443 6890 1 11 . 1 1 6 6 TYR N N 6 120.957 120.957 124.607 -3.650 18443 6891 1 11 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.940 0.039 18443 6892 1 11 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.847 1.337 18443 6893 1 11 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.046 1.291 18443 6894 1 11 . 1 1 6 6 TYR H H 6 8.818 8.818 9.291 -0.473 18443 6895 1 11 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.654 0.256 18443 6896 1 11 . 1 1 7 7 PRO C C 7 177.869 177.869 177.517 0.352 18443 6897 1 11 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.401 0.177 18443 6898 1 11 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.755 0.190 18443 6899 1 11 . 1 1 8 8 TYR N N 8 122.256 122.256 123.535 -1.279 18443 6900 1 11 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.017 0.026 18443 6901 1 11 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.179 -0.104 18443 6902 1 11 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.117 0.737 18443 6903 1 11 . 1 1 8 8 TYR H H 8 9.408 9.408 9.190 0.218 18443 6904 1 11 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.089 -0.047 18443 6905 1 11 . 1 1 9 9 PRO C C 9 180.472 180.472 178.872 1.600 18443 6906 1 11 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.897 0.489 18443 6907 1 11 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.107 -0.581 18443 6908 1 11 . 1 1 10 10 GLU N N 10 118.047 118.047 118.224 -0.177 18443 6909 1 11 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.061 -0.007 18443 6910 1 11 . 1 1 10 10 GLU C C 10 178.293 178.293 178.374 -0.081 18443 6911 1 11 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.035 -0.005 18443 6912 1 11 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.183 1.126 18443 6913 1 11 . 1 1 10 10 GLU H H 10 7.093 7.093 8.431 -1.338 18443 6914 1 11 . 1 1 11 11 ALA N N 11 121.740 121.740 122.510 -0.770 18443 6915 1 11 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.941 -0.320 18443 6916 1 11 . 1 1 11 11 ALA C C 11 178.890 178.890 179.790 -0.900 18443 6917 1 11 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.327 -0.808 18443 6918 1 11 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.313 0.732 18443 6919 1 11 . 1 1 11 11 ALA H H 11 8.447 8.447 8.604 -0.157 18443 6920 1 11 . 1 1 12 12 LEU N N 12 115.622 115.622 118.848 -3.226 18443 6921 1 11 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.658 -0.207 18443 6922 1 11 . 1 1 12 12 LEU C C 12 179.331 179.331 178.969 0.362 18443 6923 1 11 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.592 0.931 18443 6924 1 11 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.913 -0.468 18443 6925 1 11 . 1 1 12 12 LEU H H 12 7.354 7.354 7.529 -0.175 18443 6926 1 11 . 1 1 13 13 ALA N N 13 120.240 120.240 122.818 -2.578 18443 6927 1 11 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.167 0.008 18443 6928 1 11 . 1 1 13 13 ALA C C 13 181.630 181.630 179.679 1.951 18443 6929 1 11 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.051 0.274 18443 6930 1 11 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.459 -0.304 18443 6931 1 11 . 1 1 13 13 ALA H H 13 7.201 7.201 7.672 -0.471 18443 6932 1 11 . 1 1 14 14 LEU N N 14 120.757 120.757 120.410 0.347 18443 6933 1 11 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.950 0.137 18443 6934 1 11 . 1 1 14 14 LEU C C 14 179.635 179.635 179.213 0.422 18443 6935 1 11 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.482 0.206 18443 6936 1 11 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.605 2.187 18443 6937 1 11 . 1 1 14 14 LEU H H 14 8.202 8.202 8.755 -0.553 18443 6938 1 11 . 1 1 15 15 ALA N N 15 121.483 121.483 120.697 0.786 18443 6939 1 11 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.030 -0.156 18443 6940 1 11 . 1 1 15 15 ALA C C 15 180.839 180.839 179.713 1.126 18443 6941 1 11 . 1 1 15 15 ALA CA C 15 56.248 56.248 54.971 1.278 18443 6942 1 11 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.600 1.036 18443 6943 1 11 . 1 1 15 15 ALA H H 15 8.594 8.594 7.882 0.712 18443 6944 1 11 . 1 1 16 16 GLN N N 16 117.131 117.131 120.725 -3.594 18443 6945 1 11 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.068 -0.099 18443 6946 1 11 . 1 1 16 16 GLN C C 16 178.701 178.701 178.494 0.207 18443 6947 1 11 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.913 0.240 18443 6948 1 11 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.872 0.007 18443 6949 1 11 . 1 1 16 16 GLN H H 16 8.609 8.609 8.736 -0.127 18443 6950 1 11 . 1 1 17 17 ALA N N 17 120.088 120.088 120.280 -0.192 18443 6951 1 11 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.283 -0.164 18443 6952 1 11 . 1 1 17 17 ALA C C 17 179.305 179.305 177.950 1.355 18443 6953 1 11 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.832 0.787 18443 6954 1 11 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.913 -0.650 18443 6955 1 11 . 1 1 17 17 ALA H H 17 7.635 7.635 8.448 -0.813 18443 6956 1 11 . 1 1 18 18 HIS N N 18 111.636 111.636 114.846 -3.210 18443 6957 1 11 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.682 0.130 18443 6958 1 11 . 1 1 18 18 HIS C C 18 175.021 175.021 175.587 -0.566 18443 6959 1 11 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.245 0.292 18443 6960 1 11 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.091 0.120 18443 6961 1 11 . 1 1 18 18 HIS H H 18 7.728 7.728 7.501 0.227 18443 6962 1 11 . 1 1 19 19 GLY N N 19 111.899 111.899 108.671 3.228 18443 6963 1 11 . 1 1 19 19 GLY C C 19 175.071 175.071 174.281 0.790 18443 6964 1 11 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.602 2.053 18443 6965 1 11 . 1 1 19 19 GLY H H 19 7.886 7.886 8.169 -0.283 18443 6966 1 11 . 1 1 20 20 ARG N N 20 118.442 118.442 118.546 -0.104 18443 6967 1 11 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.582 0.029 18443 6968 1 11 . 1 1 20 20 ARG C C 20 174.586 174.586 174.900 -0.314 18443 6969 1 11 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.812 0.700 18443 6970 1 11 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.495 1.780 18443 6971 1 11 . 1 1 20 20 ARG H H 20 8.239 8.239 8.183 0.056 18443 6972 1 11 . 1 1 21 21 MET N N 21 115.457 115.457 117.405 -1.948 18443 6973 1 11 . 1 1 21 21 MET HA H 21 4.870 4.870 4.766 0.104 18443 6974 1 11 . 1 1 21 21 MET C C 21 175.707 175.707 175.168 0.539 18443 6975 1 11 . 1 1 21 21 MET CA C 21 56.111 56.111 54.861 1.250 18443 6976 1 11 . 1 1 21 21 MET CB C 21 35.717 35.717 36.350 -0.633 18443 6977 1 11 . 1 1 21 21 MET H H 21 7.193 7.193 8.497 -1.304 18443 6978 1 11 . 1 1 22 22 VAL N N 22 119.607 119.607 119.840 -0.233 18443 6979 1 11 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.541 0.769 18443 6980 1 11 . 1 1 22 22 VAL C C 22 176.506 176.506 174.743 1.763 18443 6981 1 11 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.523 -1.094 18443 6982 1 11 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.243 2.414 18443 6983 1 11 . 1 1 22 22 VAL H H 22 9.034 9.034 9.098 -0.064 18443 6984 1 11 . 1 1 23 23 MET N N 23 126.309 126.309 129.212 -2.903 18443 6985 1 11 . 1 1 23 23 MET HA H 23 4.878 4.878 4.597 0.281 18443 6986 1 11 . 1 1 23 23 MET C C 23 173.960 173.960 173.707 0.253 18443 6987 1 11 . 1 1 23 23 MET CA C 23 54.184 54.184 52.575 1.609 18443 6988 1 11 . 1 1 23 23 MET CB C 23 36.920 36.920 33.441 3.479 18443 6989 1 11 . 1 1 23 23 MET H H 23 8.704 8.704 9.180 -0.476 18443 6990 1 11 . 1 1 24 24 VAL N N 24 128.959 128.959 129.453 -0.494 18443 6991 1 11 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.976 0.362 18443 6992 1 11 . 1 1 24 24 VAL C C 24 174.245 174.245 174.011 0.234 18443 6993 1 11 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.035 -0.282 18443 6994 1 11 . 1 1 24 24 VAL CB C 24 31.821 31.821 30.890 0.931 18443 6995 1 11 . 1 1 24 24 VAL H H 24 9.908 9.908 8.986 0.922 18443 6996 1 11 . 1 1 25 25 TYR N N 25 129.726 129.726 130.220 -0.494 18443 6997 1 11 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.940 0.287 18443 6998 1 11 . 1 1 25 25 TYR C C 25 173.393 173.393 173.974 -0.581 18443 6999 1 11 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.978 -2.895 18443 7000 1 11 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.619 -0.101 18443 7001 1 11 . 1 1 25 25 TYR H H 25 9.031 9.031 9.021 0.010 18443 7002 1 11 . 1 1 26 26 PHE N N 26 126.719 126.719 127.693 -0.974 18443 7003 1 11 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.733 0.362 18443 7004 1 11 . 1 1 26 26 PHE C C 26 174.151 174.151 174.930 -0.779 18443 7005 1 11 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.691 -0.253 18443 7006 1 11 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.108 0.516 18443 7007 1 11 . 1 1 26 26 PHE H H 26 9.162 9.162 8.839 0.323 18443 7008 1 11 . 1 1 27 27 HIS N N 27 118.311 118.311 120.480 -2.169 18443 7009 1 11 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.940 0.222 18443 7010 1 11 . 1 1 27 27 HIS C C 27 173.044 173.044 173.602 -0.558 18443 7011 1 11 . 1 1 27 27 HIS CA C 27 53.460 53.460 54.086 -0.626 18443 7012 1 11 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.445 2.643 18443 7013 1 11 . 1 1 27 27 HIS H H 27 8.168 8.168 8.832 -0.664 18443 7014 1 11 . 1 1 28 28 SER N N 28 112.150 112.150 116.388 -4.238 18443 7015 1 11 . 1 1 28 28 SER HA H 28 4.790 4.790 5.095 -0.305 18443 7016 1 11 . 1 1 28 28 SER C C 28 176.815 176.815 175.410 1.405 18443 7017 1 11 . 1 1 28 28 SER CA C 28 56.260 56.260 55.203 1.058 18443 7018 1 11 . 1 1 28 28 SER CB C 28 65.470 65.470 65.387 0.083 18443 7019 1 11 . 1 1 28 28 SER H H 28 7.545 7.545 8.265 -0.720 18443 7020 1 11 . 1 1 29 29 GLU N N 29 130.603 130.603 123.108 7.495 18443 7021 1 11 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.160 -0.060 18443 7022 1 11 . 1 1 29 29 GLU C C 29 176.980 176.980 176.319 0.661 18443 7023 1 11 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.800 -0.130 18443 7024 1 11 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.039 0.600 18443 7025 1 11 . 1 1 29 29 GLU H H 29 9.681 9.681 8.983 0.698 18443 7026 1 11 . 1 1 30 30 HIS N N 30 114.752 114.752 117.275 -2.523 18443 7027 1 11 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.626 0.068 18443 7028 1 11 . 1 1 30 30 HIS C C 30 173.679 173.679 174.867 -1.188 18443 7029 1 11 . 1 1 30 30 HIS CA C 30 54.393 54.393 55.563 -1.170 18443 7030 1 11 . 1 1 30 30 HIS CB C 30 29.372 29.372 31.464 -2.092 18443 7031 1 11 . 1 1 30 30 HIS H H 30 8.226 8.226 7.844 0.382 18443 7032 1 11 . 1 1 31 31 CYS N N 31 124.685 124.685 115.624 9.061 18443 7033 1 11 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.278 0.668 18443 7034 1 11 . 1 1 31 31 CYS C C 31 175.771 175.771 174.042 1.729 18443 7035 1 11 . 1 1 31 31 CYS CA C 31 56.116 56.116 59.093 -2.977 18443 7036 1 11 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.848 3.567 18443 7037 1 11 . 1 1 31 31 CYS H H 31 7.091 7.091 8.508 -1.417 18443 7038 1 11 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.414 -0.080 18443 7039 1 11 . 1 1 32 32 PRO C C 32 179.352 179.352 176.776 2.576 18443 7040 1 11 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.909 0.284 18443 7041 1 11 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.450 -0.378 18443 7042 1 11 . 1 1 33 33 TYR N N 33 125.092 125.092 116.841 8.251 18443 7043 1 11 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.585 -0.090 18443 7044 1 11 . 1 1 33 33 TYR C C 33 179.457 179.457 178.046 1.411 18443 7045 1 11 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.099 0.781 18443 7046 1 11 . 1 1 33 33 TYR CB C 33 38.345 38.345 37.831 0.514 18443 7047 1 11 . 1 1 33 33 TYR H H 33 8.621 8.621 8.673 -0.052 18443 7048 1 11 . 1 1 34 34 CYS N N 34 127.272 127.272 119.085 8.187 18443 7049 1 11 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.107 0.228 18443 7050 1 11 . 1 1 34 34 CYS C C 34 176.672 176.672 176.623 0.049 18443 7051 1 11 . 1 1 34 34 CYS CA C 34 64.159 64.159 62.308 1.851 18443 7052 1 11 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.571 1.306 18443 7053 1 11 . 1 1 34 34 CYS H H 34 9.440 9.440 8.682 0.758 18443 7054 1 11 . 1 1 35 35 GLN N N 35 118.373 118.373 118.583 -0.210 18443 7055 1 11 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.848 0.211 18443 7056 1 11 . 1 1 35 35 GLN CA C 35 59.374 59.374 59.090 0.284 18443 7057 1 11 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.528 0.048 18443 7058 1 11 . 1 1 35 35 GLN H H 35 7.866 7.866 8.623 -0.757 18443 7059 1 11 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.180 0.066 18443 7060 1 11 . 1 1 36 36 GLN C C 36 178.881 178.881 178.544 0.337 18443 7061 1 11 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.650 0.976 18443 7062 1 11 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.320 0.285 18443 7063 1 11 . 1 1 37 37 MET N N 37 117.759 117.759 119.930 -2.171 18443 7064 1 11 . 1 1 37 37 MET HA H 37 4.488 4.488 4.136 0.352 18443 7065 1 11 . 1 1 37 37 MET C C 37 179.838 179.838 178.192 1.646 18443 7066 1 11 . 1 1 37 37 MET CA C 37 57.229 57.229 59.763 -2.534 18443 7067 1 11 . 1 1 37 37 MET CB C 37 29.983 29.983 32.729 -2.746 18443 7068 1 11 . 1 1 37 37 MET H H 37 8.125 8.125 8.697 -0.572 18443 7069 1 11 . 1 1 38 38 ASN N N 38 122.249 122.249 117.597 4.652 18443 7070 1 11 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.362 -0.000 18443 7071 1 11 . 1 1 38 38 ASN C C 38 177.355 177.355 177.453 -0.098 18443 7072 1 11 . 1 1 38 38 ASN CA C 38 56.435 56.435 57.022 -0.587 18443 7073 1 11 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.515 -1.003 18443 7074 1 11 . 1 1 38 38 ASN H H 38 9.245 9.245 8.799 0.446 18443 7075 1 11 . 1 1 39 39 THR N N 39 113.554 113.554 115.222 -1.668 18443 7076 1 11 . 1 1 39 39 THR HA H 39 3.853 3.853 3.901 -0.048 18443 7077 1 11 . 1 1 39 39 THR C C 39 176.277 176.277 175.489 0.788 18443 7078 1 11 . 1 1 39 39 THR CA C 39 65.843 65.843 65.966 -0.123 18443 7079 1 11 . 1 1 39 39 THR CB C 39 69.595 69.595 68.315 1.280 18443 7080 1 11 . 1 1 39 39 THR H H 39 8.034 8.034 7.531 0.503 18443 7081 1 11 . 1 1 40 40 PHE N N 40 116.394 116.394 117.808 -1.414 18443 7082 1 11 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.578 0.242 18443 7083 1 11 . 1 1 40 40 PHE C C 40 176.255 176.255 177.272 -1.017 18443 7084 1 11 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.728 -1.013 18443 7085 1 11 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.857 2.028 18443 7086 1 11 . 1 1 40 40 PHE H H 40 8.309 8.309 7.656 0.653 18443 7087 1 11 . 1 1 41 41 VAL N N 41 117.246 117.246 118.784 -1.538 18443 7088 1 11 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.690 0.616 18443 7089 1 11 . 1 1 41 41 VAL C C 41 176.704 176.704 178.481 -1.777 18443 7090 1 11 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.126 -0.287 18443 7091 1 11 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.867 1.772 18443 7092 1 11 . 1 1 41 41 VAL H H 41 7.678 7.678 8.074 -0.396 18443 7093 1 11 . 1 1 42 42 LEU N N 42 117.179 117.179 117.120 0.059 18443 7094 1 11 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.198 -0.250 18443 7095 1 11 . 1 1 42 42 LEU C C 42 175.837 175.837 176.576 -0.739 18443 7096 1 11 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.709 1.587 18443 7097 1 11 . 1 1 42 42 LEU CB C 42 41.115 41.115 41.966 -0.851 18443 7098 1 11 . 1 1 42 42 LEU H H 42 8.882 8.882 8.587 0.295 18443 7099 1 11 . 1 1 43 43 SER N N 43 105.494 105.494 112.079 -6.585 18443 7100 1 11 . 1 1 43 43 SER HA H 43 4.408 4.408 4.454 -0.046 18443 7101 1 11 . 1 1 43 43 SER C C 43 175.397 175.397 174.072 1.325 18443 7102 1 11 . 1 1 43 43 SER CA C 43 57.144 57.144 58.895 -1.751 18443 7103 1 11 . 1 1 43 43 SER CB C 43 64.117 64.117 63.563 0.554 18443 7104 1 11 . 1 1 43 43 SER H H 43 6.785 6.785 7.419 -0.634 18443 7105 1 11 . 1 1 44 44 ASP N N 44 126.617 126.617 124.373 2.244 18443 7106 1 11 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.601 0.210 18443 7107 1 11 . 1 1 44 44 ASP C C 44 175.644 175.644 175.827 -0.183 18443 7108 1 11 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.682 -1.009 18443 7109 1 11 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.370 1.303 18443 7110 1 11 . 1 1 44 44 ASP H H 44 7.443 7.443 7.278 0.165 18443 7111 1 11 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.260 0.092 18443 7112 1 11 . 1 1 45 45 PRO C C 45 178.792 178.792 178.175 0.617 18443 7113 1 11 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.237 0.522 18443 7114 1 11 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.019 0.320 18443 7115 1 11 . 1 1 46 46 GLY N N 46 107.270 107.270 105.517 1.753 18443 7116 1 11 . 1 1 46 46 GLY C C 46 176.799 176.799 176.284 0.515 18443 7117 1 11 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.766 0.262 18443 7118 1 11 . 1 1 46 46 GLY H H 46 8.161 8.161 8.493 -0.332 18443 7119 1 11 . 1 1 47 47 VAL N N 47 124.473 124.473 121.484 2.989 18443 7120 1 11 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.720 -0.125 18443 7121 1 11 . 1 1 47 47 VAL C C 47 177.886 177.886 177.932 -0.046 18443 7122 1 11 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.408 1.092 18443 7123 1 11 . 1 1 47 47 VAL CB C 47 32.425 32.425 30.782 1.643 18443 7124 1 11 . 1 1 47 47 VAL H H 47 8.344 8.344 8.095 0.249 18443 7125 1 11 . 1 1 48 48 SER N N 48 113.807 113.807 115.881 -2.074 18443 7126 1 11 . 1 1 48 48 SER HA H 48 4.053 4.053 4.125 -0.072 18443 7127 1 11 . 1 1 48 48 SER C C 48 176.889 176.889 176.637 0.252 18443 7128 1 11 . 1 1 48 48 SER CA C 48 62.777 62.777 61.838 0.939 18443 7129 1 11 . 1 1 48 48 SER CB C 48 62.884 62.884 62.941 -0.057 18443 7130 1 11 . 1 1 48 48 SER H H 48 9.023 9.023 8.800 0.223 18443 7131 1 11 . 1 1 49 49 ARG N N 49 119.875 119.875 119.534 0.341 18443 7132 1 11 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.142 0.022 18443 7133 1 11 . 1 1 49 49 ARG C C 49 179.398 179.398 178.829 0.569 18443 7134 1 11 . 1 1 49 49 ARG CA C 49 59.558 59.558 58.659 0.899 18443 7135 1 11 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.060 0.187 18443 7136 1 11 . 1 1 49 49 ARG H H 49 8.081 8.081 7.674 0.407 18443 7137 1 11 . 1 1 50 50 LEU N N 50 121.717 121.717 120.681 1.036 18443 7138 1 11 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.077 0.302 18443 7139 1 11 . 1 1 50 50 LEU C C 50 179.482 179.482 178.356 1.126 18443 7140 1 11 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.599 0.607 18443 7141 1 11 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.824 0.011 18443 7142 1 11 . 1 1 50 50 LEU H H 50 7.291 7.291 7.716 -0.425 18443 7143 1 11 . 1 1 51 51 LEU N N 51 118.677 118.677 119.407 -0.730 18443 7144 1 11 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.010 0.280 18443 7145 1 11 . 1 1 51 51 LEU C C 51 179.233 179.233 179.474 -0.241 18443 7146 1 11 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.728 0.615 18443 7147 1 11 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.436 1.950 18443 7148 1 11 . 1 1 51 51 LEU H H 51 8.358 8.358 7.587 0.771 18443 7149 1 11 . 1 1 52 52 GLU N N 52 116.437 116.437 117.507 -1.070 18443 7150 1 11 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.023 0.145 18443 7151 1 11 . 1 1 52 52 GLU C C 52 178.898 178.898 178.620 0.278 18443 7152 1 11 . 1 1 52 52 GLU CA C 52 58.993 58.993 58.850 0.143 18443 7153 1 11 . 1 1 52 52 GLU CB C 52 30.205 30.205 28.972 1.233 18443 7154 1 11 . 1 1 52 52 GLU H H 52 8.715 8.715 8.259 0.456 18443 7155 1 11 . 1 1 53 53 ALA N N 53 119.092 119.092 120.119 -1.027 18443 7156 1 11 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.187 0.240 18443 7157 1 11 . 1 1 53 53 ALA C C 53 180.298 180.298 178.326 1.972 18443 7158 1 11 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.708 -0.145 18443 7159 1 11 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.387 0.831 18443 7160 1 11 . 1 1 53 53 ALA H H 53 7.782 7.782 7.676 0.106 18443 7161 1 11 . 1 1 54 54 ARG N N 54 111.562 111.562 112.884 -1.322 18443 7162 1 11 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.481 0.174 18443 7163 1 11 . 1 1 54 54 ARG C C 54 175.560 175.560 174.521 1.039 18443 7164 1 11 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.113 -0.082 18443 7165 1 11 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.426 2.911 18443 7166 1 11 . 1 1 54 54 ARG H H 54 7.740 7.740 7.823 -0.083 18443 7167 1 11 . 1 1 55 55 PHE N N 55 117.038 117.038 120.755 -3.717 18443 7168 1 11 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.408 0.254 18443 7169 1 11 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.127 -0.299 18443 7170 1 11 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.916 0.366 18443 7171 1 11 . 1 1 55 55 PHE H H 55 8.555 8.555 8.615 -0.060 18443 7172 1 11 . 1 1 56 56 VAL N N 56 121.038 121.038 123.056 -2.018 18443 7173 1 11 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.295 0.030 18443 7174 1 11 . 1 1 56 56 VAL C C 56 175.305 175.305 174.948 0.357 18443 7175 1 11 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.476 1.470 18443 7176 1 11 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.506 1.999 18443 7177 1 11 . 1 1 56 56 VAL H H 56 8.817 8.817 9.403 -0.586 18443 7178 1 11 . 1 1 57 57 VAL N N 57 125.781 125.781 129.329 -3.548 18443 7179 1 11 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.358 0.618 18443 7180 1 11 . 1 1 57 57 VAL C C 57 174.535 174.535 174.683 -0.148 18443 7181 1 11 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.525 -0.135 18443 7182 1 11 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.386 1.550 18443 7183 1 11 . 1 1 57 57 VAL H H 57 9.498 9.498 8.187 1.311 18443 7184 1 11 . 1 1 58 58 ALA N N 58 128.137 128.137 131.407 -3.270 18443 7185 1 11 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.419 0.202 18443 7186 1 11 . 1 1 58 58 ALA C C 58 175.953 175.953 176.568 -0.615 18443 7187 1 11 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.802 -1.038 18443 7188 1 11 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.131 1.583 18443 7189 1 11 . 1 1 58 58 ALA H H 58 9.062 9.062 9.216 -0.154 18443 7190 1 11 . 1 1 59 59 SER N N 59 117.343 117.343 121.352 -4.009 18443 7191 1 11 . 1 1 59 59 SER HA H 59 4.693 4.693 5.084 -0.391 18443 7192 1 11 . 1 1 59 59 SER C C 59 174.092 174.092 173.761 0.331 18443 7193 1 11 . 1 1 59 59 SER CA C 59 56.135 56.135 57.796 -1.661 18443 7194 1 11 . 1 1 59 59 SER CB C 59 63.731 63.731 63.648 0.083 18443 7195 1 11 . 1 1 59 59 SER H H 59 8.676 8.676 8.787 -0.111 18443 7196 1 11 . 1 1 60 60 VAL N N 60 129.829 129.829 129.195 0.634 18443 7197 1 11 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.273 -0.344 18443 7198 1 11 . 1 1 60 60 VAL C C 60 172.999 172.999 173.873 -0.874 18443 7199 1 11 . 1 1 60 60 VAL CA C 60 61.522 61.522 60.616 0.906 18443 7200 1 11 . 1 1 60 60 VAL CB C 60 33.335 33.335 34.115 -0.780 18443 7201 1 11 . 1 1 60 60 VAL H H 60 8.716 8.716 8.208 0.508 18443 7202 1 11 . 1 1 61 61 SER N N 61 119.457 119.457 123.337 -3.880 18443 7203 1 11 . 1 1 61 61 SER HA H 61 4.211 4.211 4.664 -0.453 18443 7204 1 11 . 1 1 61 61 SER C C 61 178.511 178.511 174.742 3.769 18443 7205 1 11 . 1 1 61 61 SER CA C 61 55.404 55.404 57.085 -1.681 18443 7206 1 11 . 1 1 61 61 SER CB C 61 63.080 63.080 63.566 -0.486 18443 7207 1 11 . 1 1 61 61 SER H H 61 8.250 8.250 8.820 -0.570 18443 7208 1 11 . 1 1 62 62 VAL N N 62 123.331 123.331 127.264 -3.933 18443 7209 1 11 . 1 1 62 62 VAL HA H 62 4.041 4.041 4.142 -0.101 18443 7210 1 11 . 1 1 62 62 VAL C C 62 174.434 174.434 174.110 0.324 18443 7211 1 11 . 1 1 62 62 VAL CA C 62 62.777 62.777 61.145 1.632 18443 7212 1 11 . 1 1 62 62 VAL CB C 62 29.867 29.867 29.626 0.241 18443 7213 1 11 . 1 1 62 62 VAL H H 62 8.954 8.954 8.491 0.463 18443 7214 1 11 . 1 1 63 63 ASP N N 63 119.953 119.953 122.857 -2.904 18443 7215 1 11 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.745 -0.026 18443 7216 1 11 . 1 1 63 63 ASP C C 63 175.930 175.930 176.028 -0.098 18443 7217 1 11 . 1 1 63 63 ASP CA C 63 54.930 54.930 54.180 0.750 18443 7218 1 11 . 1 1 63 63 ASP CB C 63 41.218 41.218 42.574 -1.356 18443 7219 1 11 . 1 1 63 63 ASP H H 63 7.966 7.966 8.245 -0.279 18443 7220 1 11 . 1 1 64 64 THR N N 64 108.822 108.822 113.687 -4.865 18443 7221 1 11 . 1 1 64 64 THR HA H 64 4.963 4.963 4.621 0.342 18443 7222 1 11 . 1 1 64 64 THR C C 64 173.012 173.012 174.756 -1.744 18443 7223 1 11 . 1 1 64 64 THR CA C 64 58.176 58.176 59.332 -1.156 18443 7224 1 11 . 1 1 64 64 THR CB C 64 70.326 70.326 68.934 1.392 18443 7225 1 11 . 1 1 64 64 THR H H 64 7.315 7.315 7.504 -0.189 18443 7226 1 11 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.060 0.228 18443 7227 1 11 . 1 1 65 65 PRO C C 65 180.307 180.307 178.557 1.750 18443 7228 1 11 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.152 -0.311 18443 7229 1 11 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.574 0.387 18443 7230 1 11 . 1 1 66 66 GLU N N 66 118.398 118.398 117.571 0.827 18443 7231 1 11 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.132 0.029 18443 7232 1 11 . 1 1 66 66 GLU C C 66 179.940 179.940 178.800 1.140 18443 7233 1 11 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.752 0.187 18443 7234 1 11 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.780 1.091 18443 7235 1 11 . 1 1 66 66 GLU H H 66 9.304 9.304 8.847 0.457 18443 7236 1 11 . 1 1 67 67 GLY N N 67 110.592 110.592 107.886 2.706 18443 7237 1 11 . 1 1 67 67 GLY C C 67 176.529 176.529 176.649 -0.120 18443 7238 1 11 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.518 0.346 18443 7239 1 11 . 1 1 67 67 GLY H H 67 8.172 8.172 8.252 -0.080 18443 7240 1 11 . 1 1 68 68 GLN N N 68 121.948 121.948 120.623 1.325 18443 7241 1 11 . 1 1 68 68 GLN HA H 68 4.013 4.013 4.103 -0.090 18443 7242 1 11 . 1 1 68 68 GLN C C 68 179.366 179.366 178.363 1.003 18443 7243 1 11 . 1 1 68 68 GLN CA C 68 59.191 59.191 57.867 1.323 18443 7244 1 11 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.152 -0.218 18443 7245 1 11 . 1 1 68 68 GLN H H 68 8.504 8.504 8.668 -0.164 18443 7246 1 11 . 1 1 69 69 GLU N N 69 120.280 120.280 121.696 -1.416 18443 7247 1 11 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.076 0.094 18443 7248 1 11 . 1 1 69 69 GLU C C 69 179.360 179.360 178.821 0.539 18443 7249 1 11 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.163 0.327 18443 7250 1 11 . 1 1 69 69 GLU CB C 69 28.931 28.931 28.959 -0.028 18443 7251 1 11 . 1 1 69 69 GLU H H 69 7.815 7.815 8.424 -0.609 18443 7252 1 11 . 1 1 70 70 LEU N N 70 121.041 121.041 120.040 1.001 18443 7253 1 11 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.266 -0.150 18443 7254 1 11 . 1 1 70 70 LEU C C 70 178.961 178.961 178.751 0.210 18443 7255 1 11 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.258 -0.065 18443 7256 1 11 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.715 1.012 18443 7257 1 11 . 1 1 70 70 LEU H H 70 7.758 7.758 7.767 -0.009 18443 7258 1 11 . 1 1 71 71 ALA N N 71 122.094 122.094 122.091 0.003 18443 7259 1 11 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.906 -0.333 18443 7260 1 11 . 1 1 71 71 ALA C C 71 179.966 179.966 178.971 0.995 18443 7261 1 11 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.317 -0.279 18443 7262 1 11 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.226 -0.807 18443 7263 1 11 . 1 1 71 71 ALA H H 71 8.745 8.745 8.139 0.606 18443 7264 1 11 . 1 1 72 72 ARG N N 72 118.463 118.463 117.437 1.026 18443 7265 1 11 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.159 -0.038 18443 7266 1 11 . 1 1 72 72 ARG C C 72 180.905 180.905 178.055 2.850 18443 7267 1 11 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.124 1.400 18443 7268 1 11 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.119 0.183 18443 7269 1 11 . 1 1 72 72 ARG H H 72 7.862 7.862 7.838 0.024 18443 7270 1 11 . 1 1 73 73 ARG N N 73 122.223 122.223 120.028 2.195 18443 7271 1 11 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.023 -0.065 18443 7272 1 11 . 1 1 73 73 ARG C C 73 178.562 178.562 177.934 0.628 18443 7273 1 11 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.670 0.868 18443 7274 1 11 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.677 -0.486 18443 7275 1 11 . 1 1 73 73 ARG H H 73 8.189 8.189 7.975 0.214 18443 7276 1 11 . 1 1 74 74 TYR N N 74 114.319 114.319 115.990 -1.671 18443 7277 1 11 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.493 -0.092 18443 7278 1 11 . 1 1 74 74 TYR C C 74 174.321 174.321 174.738 -0.417 18443 7279 1 11 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.061 0.723 18443 7280 1 11 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.385 -0.121 18443 7281 1 11 . 1 1 74 74 TYR H H 74 8.047 8.047 8.326 -0.280 18443 7282 1 11 . 1 1 75 75 ARG N N 75 119.572 119.572 116.873 2.699 18443 7283 1 11 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.108 -0.239 18443 7284 1 11 . 1 1 75 75 ARG C C 75 175.880 175.880 174.615 1.265 18443 7285 1 11 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.717 0.123 18443 7286 1 11 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.183 -0.675 18443 7287 1 11 . 1 1 75 75 ARG H H 75 7.865 7.865 7.626 0.239 18443 7288 1 11 . 1 1 76 76 VAL N N 76 119.885 119.885 123.132 -3.247 18443 7289 1 11 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.273 -0.482 18443 7290 1 11 . 1 1 76 76 VAL C C 76 176.374 176.374 173.724 2.650 18443 7291 1 11 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.411 1.345 18443 7292 1 11 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.631 -0.718 18443 7293 1 11 . 1 1 76 76 VAL H H 76 8.024 8.024 7.662 0.362 18443 7294 1 11 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.711 -0.314 18443 7295 1 11 . 1 1 77 77 PRO C C 77 175.829 175.829 176.722 -0.893 18443 7296 1 11 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.026 1.436 18443 7297 1 11 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.119 -0.362 18443 7298 1 11 . 1 1 78 78 GLY N N 78 105.453 105.453 111.808 -6.355 18443 7299 1 11 . 1 1 78 78 GLY C C 78 171.794 171.794 173.345 -1.551 18443 7300 1 11 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.028 -0.419 18443 7301 1 11 . 1 1 78 78 GLY H H 78 6.725 6.725 8.508 -1.783 18443 7302 1 11 . 1 1 79 79 THR N N 79 110.056 110.056 115.215 -5.159 18443 7303 1 11 . 1 1 79 79 THR HA H 79 4.886 4.886 4.065 0.821 18443 7304 1 11 . 1 1 79 79 THR CA C 79 57.957 57.957 63.339 -5.382 18443 7305 1 11 . 1 1 79 79 THR CB C 79 70.685 70.685 68.817 1.868 18443 7306 1 11 . 1 1 79 79 THR H H 79 8.771 8.771 8.085 0.686 18443 7307 1 11 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.513 0.566 18443 7308 1 11 . 1 1 80 80 PRO C C 80 176.536 176.536 175.952 0.584 18443 7309 1 11 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.982 0.577 18443 7310 1 11 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.781 2.890 18443 7311 1 11 . 1 1 81 81 THR N N 81 116.755 116.755 118.609 -1.854 18443 7312 1 11 . 1 1 81 81 THR HA H 81 5.425 5.425 4.846 0.579 18443 7313 1 11 . 1 1 81 81 THR C C 81 171.960 171.960 173.198 -1.238 18443 7314 1 11 . 1 1 81 81 THR CA C 81 63.540 63.540 61.673 1.867 18443 7315 1 11 . 1 1 81 81 THR CB C 81 71.840 71.840 71.343 0.497 18443 7316 1 11 . 1 1 81 81 THR H H 81 8.176 8.176 7.796 0.380 18443 7317 1 11 . 1 1 82 82 PHE N N 82 126.263 126.263 127.120 -0.857 18443 7318 1 11 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.312 0.324 18443 7319 1 11 . 1 1 82 82 PHE C C 82 174.738 174.738 174.884 -0.146 18443 7320 1 11 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.051 -0.281 18443 7321 1 11 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.630 0.650 18443 7322 1 11 . 1 1 82 82 PHE H H 82 9.540 9.540 9.341 0.199 18443 7323 1 11 . 1 1 83 83 VAL N N 83 123.703 123.703 123.625 0.078 18443 7324 1 11 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.783 -0.242 18443 7325 1 11 . 1 1 83 83 VAL C C 83 174.159 174.159 174.840 -0.681 18443 7326 1 11 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.657 0.372 18443 7327 1 11 . 1 1 83 83 VAL CB C 83 35.107 35.107 32.960 2.147 18443 7328 1 11 . 1 1 83 83 VAL H H 83 9.208 9.208 8.991 0.217 18443 7329 1 11 . 1 1 84 84 PHE N N 84 126.003 126.003 127.953 -1.950 18443 7330 1 11 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.570 0.240 18443 7331 1 11 . 1 1 84 84 PHE C C 84 175.481 175.481 175.204 0.277 18443 7332 1 11 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.846 0.407 18443 7333 1 11 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.202 1.610 18443 7334 1 11 . 1 1 84 84 PHE H H 84 8.878 8.878 9.597 -0.719 18443 7335 1 11 . 1 1 85 85 LEU N N 85 123.597 123.597 124.080 -0.483 18443 7336 1 11 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.666 0.228 18443 7337 1 11 . 1 1 85 85 LEU C C 85 176.528 176.528 176.372 0.156 18443 7338 1 11 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.543 -0.173 18443 7339 1 11 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.647 3.553 18443 7340 1 11 . 1 1 85 85 LEU H H 85 9.604 9.604 9.255 0.349 18443 7341 1 11 . 1 1 86 86 VAL N N 86 118.274 118.274 123.026 -4.752 18443 7342 1 11 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.689 0.529 18443 7343 1 11 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.401 -1.840 18443 7344 1 11 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.189 2.304 18443 7345 1 11 . 1 1 86 86 VAL H H 86 9.457 9.457 9.212 0.245 18443 7346 1 11 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.294 -0.346 18443 7347 1 11 . 1 1 87 87 PRO C C 87 177.132 177.132 175.721 1.411 18443 7348 1 11 . 1 1 87 87 PRO CA C 87 62.363 62.363 62.401 -0.038 18443 7349 1 11 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.225 -0.567 18443 7350 1 11 . 1 1 88 88 LYS N N 88 124.554 124.554 125.958 -1.404 18443 7351 1 11 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.417 -0.138 18443 7352 1 11 . 1 1 88 88 LYS C C 88 175.739 175.739 175.972 -0.233 18443 7353 1 11 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.479 0.171 18443 7354 1 11 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.304 0.394 18443 7355 1 11 . 1 1 88 88 LYS H H 88 8.119 8.119 8.712 -0.593 18443 7356 1 11 . 1 1 89 89 ALA N N 89 130.786 130.786 128.928 1.858 18443 7357 1 11 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.983 -0.013 18443 7358 1 11 . 1 1 89 89 ALA C C 89 176.947 176.947 177.620 -0.673 18443 7359 1 11 . 1 1 89 89 ALA CA C 89 53.190 53.190 52.997 0.193 18443 7360 1 11 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.298 0.081 18443 7361 1 11 . 1 1 89 89 ALA H H 89 9.128 9.128 9.078 0.050 18443 7362 1 11 . 1 1 90 90 GLY N N 90 106.698 106.698 103.305 3.393 18443 7363 1 11 . 1 1 90 90 GLY C C 90 173.352 173.352 173.924 -0.572 18443 7364 1 11 . 1 1 90 90 GLY CA C 90 45.586 45.586 44.624 0.962 18443 7365 1 11 . 1 1 90 90 GLY H H 90 8.393 8.393 8.191 0.202 18443 7366 1 11 . 1 1 91 91 ALA N N 91 125.038 125.038 122.591 2.447 18443 7367 1 11 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.536 0.041 18443 7368 1 11 . 1 1 91 91 ALA C C 91 175.940 175.940 175.045 0.895 18443 7369 1 11 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.573 -0.111 18443 7370 1 11 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.523 0.129 18443 7371 1 11 . 1 1 91 91 ALA H H 91 7.788 7.788 7.364 0.424 18443 7372 1 11 . 1 1 92 92 TRP N N 92 120.760 120.760 117.751 3.009 18443 7373 1 11 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.531 -0.391 18443 7374 1 11 . 1 1 92 92 TRP C C 92 175.960 175.960 176.258 -0.298 18443 7375 1 11 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.216 0.635 18443 7376 1 11 . 1 1 92 92 TRP CB C 92 32.673 32.673 32.132 0.541 18443 7377 1 11 . 1 1 92 92 TRP H H 92 8.235 8.235 8.246 -0.011 18443 7378 1 11 . 1 1 93 93 GLU N N 93 124.341 124.341 123.455 0.886 18443 7379 1 11 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.800 0.061 18443 7380 1 11 . 1 1 93 93 GLU C C 93 175.515 175.515 175.318 0.197 18443 7381 1 11 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.635 0.144 18443 7382 1 11 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.526 -0.334 18443 7383 1 11 . 1 1 93 93 GLU H H 93 9.264 9.264 9.003 0.261 18443 7384 1 11 . 1 1 94 94 GLU N N 94 126.987 126.987 128.943 -1.956 18443 7385 1 11 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.622 0.575 18443 7386 1 11 . 1 1 94 94 GLU C C 94 177.604 177.604 175.936 1.668 18443 7387 1 11 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.245 -0.640 18443 7388 1 11 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.462 0.616 18443 7389 1 11 . 1 1 94 94 GLU H H 94 9.123 9.123 9.128 -0.005 18443 7390 1 11 . 1 1 95 95 VAL N N 95 122.004 122.004 126.650 -4.646 18443 7391 1 11 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.347 0.345 18443 7392 1 11 . 1 1 95 95 VAL C C 95 175.719 175.719 175.515 0.204 18443 7393 1 11 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.118 -0.783 18443 7394 1 11 . 1 1 95 95 VAL CB C 95 33.265 33.265 33.024 0.241 18443 7395 1 11 . 1 1 95 95 VAL H H 95 9.099 9.099 8.677 0.422 18443 7396 1 11 . 1 1 96 96 GLY N N 96 107.961 107.961 109.272 -1.311 18443 7397 1 11 . 1 1 96 96 GLY C C 96 171.052 171.052 172.110 -1.058 18443 7398 1 11 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.259 0.853 18443 7399 1 11 . 1 1 96 96 GLY H H 96 7.754 7.754 7.717 0.037 18443 7400 1 11 . 1 1 97 97 ARG N N 97 117.467 117.467 126.973 -9.506 18443 7401 1 11 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.484 0.193 18443 7402 1 11 . 1 1 97 97 ARG C C 97 174.403 174.403 175.556 -1.153 18443 7403 1 11 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.249 0.377 18443 7404 1 11 . 1 1 97 97 ARG CB C 97 34.313 34.313 31.894 2.419 18443 7405 1 11 . 1 1 97 97 ARG H H 97 8.489 8.489 8.562 -0.073 18443 7406 1 11 . 1 1 98 98 LEU N N 98 122.922 122.922 127.284 -4.362 18443 7407 1 11 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.939 -0.014 18443 7408 1 11 . 1 1 98 98 LEU C C 98 174.871 174.871 175.010 -0.139 18443 7409 1 11 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.311 -0.340 18443 7410 1 11 . 1 1 98 98 LEU CB C 98 46.542 46.542 46.632 -0.090 18443 7411 1 11 . 1 1 98 98 LEU H H 98 9.504 9.504 9.362 0.142 18443 7412 1 11 . 1 1 99 99 PHE N N 99 124.212 124.212 122.751 1.461 18443 7413 1 11 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.474 0.174 18443 7414 1 11 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.895 -1.144 18443 7415 1 11 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.212 -0.980 18443 7416 1 11 . 1 1 99 99 PHE H H 99 9.146 9.146 8.813 0.333 18443 7417 1 11 . 1 1 100 100 GLY N N 100 116.438 116.438 115.625 0.813 18443 7418 1 11 . 1 1 100 100 GLY C C 100 173.343 173.343 172.642 0.701 18443 7419 1 11 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.460 -1.024 18443 7420 1 11 . 1 1 100 100 GLY H H 100 8.464 8.464 7.889 0.575 18443 7421 1 11 . 1 1 101 101 SER N N 101 112.597 112.597 117.927 -5.330 18443 7422 1 11 . 1 1 101 101 SER HA H 101 4.616 4.616 4.697 -0.081 18443 7423 1 11 . 1 1 101 101 SER C C 101 175.075 175.075 174.362 0.713 18443 7424 1 11 . 1 1 101 101 SER CA C 101 58.288 58.288 58.286 0.002 18443 7425 1 11 . 1 1 101 101 SER CB C 101 64.305 64.305 64.032 0.273 18443 7426 1 11 . 1 1 101 101 SER H H 101 8.366 8.366 8.352 0.014 18443 7427 1 11 . 1 1 102 102 ARG N N 102 119.662 119.662 122.593 -2.931 18443 7428 1 11 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.903 0.028 18443 7429 1 11 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.687 0.133 18443 7430 1 11 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.703 1.739 18443 7431 1 11 . 1 1 102 102 ARG H H 102 7.767 7.767 7.847 -0.080 18443 7432 1 11 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.621 -0.070 18443 7433 1 11 . 1 1 103 103 PRO C C 103 177.345 177.345 177.720 -0.375 18443 7434 1 11 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.599 -0.523 18443 7435 1 11 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.481 0.387 18443 7436 1 11 . 1 1 104 104 ARG N N 104 121.205 121.205 123.610 -2.405 18443 7437 1 11 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.974 -0.042 18443 7438 1 11 . 1 1 104 104 ARG C C 104 177.368 177.368 178.073 -0.705 18443 7439 1 11 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.533 1.377 18443 7440 1 11 . 1 1 104 104 ARG CB C 104 30.164 30.164 28.882 1.282 18443 7441 1 11 . 1 1 104 104 ARG H H 104 8.986 8.986 8.755 0.231 18443 7442 1 11 . 1 1 105 105 ALA N N 105 119.508 119.508 120.063 -0.555 18443 7443 1 11 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.244 -0.135 18443 7444 1 11 . 1 1 105 105 ALA C C 105 181.065 181.065 179.334 1.731 18443 7445 1 11 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.292 1.453 18443 7446 1 11 . 1 1 105 105 ALA CB C 105 18.296 18.296 18.264 0.032 18443 7447 1 11 . 1 1 105 105 ALA H H 105 9.033 9.033 8.382 0.651 18443 7448 1 11 . 1 1 106 106 GLU N N 106 117.537 117.537 119.440 -1.903 18443 7449 1 11 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.134 -0.005 18443 7450 1 11 . 1 1 106 106 GLU C C 106 178.041 178.041 178.669 -0.628 18443 7451 1 11 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.382 0.411 18443 7452 1 11 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.189 1.045 18443 7453 1 11 . 1 1 106 106 GLU H H 106 7.201 7.201 7.596 -0.395 18443 7454 1 11 . 1 1 107 107 PHE N N 107 120.721 120.721 121.875 -1.154 18443 7455 1 11 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.380 -0.196 18443 7456 1 11 . 1 1 107 107 PHE C C 107 177.235 177.235 177.220 0.015 18443 7457 1 11 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.550 0.193 18443 7458 1 11 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.429 0.654 18443 7459 1 11 . 1 1 107 107 PHE H H 107 8.555 8.555 8.844 -0.289 18443 7460 1 11 . 1 1 108 108 LEU N N 108 117.219 117.219 116.453 0.766 18443 7461 1 11 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.985 -0.154 18443 7462 1 11 . 1 1 108 108 LEU C C 108 178.406 178.406 178.316 0.090 18443 7463 1 11 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.900 0.584 18443 7464 1 11 . 1 1 108 108 LEU CB C 108 42.152 42.152 40.882 1.270 18443 7465 1 11 . 1 1 108 108 LEU H H 108 8.364 8.364 8.256 0.108 18443 7466 1 11 . 1 1 109 109 LYS N N 109 118.680 118.680 120.968 -2.288 18443 7467 1 11 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.892 0.009 18443 7468 1 11 . 1 1 109 109 LYS C C 109 179.696 179.696 178.575 1.121 18443 7469 1 11 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.709 0.473 18443 7470 1 11 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.256 0.010 18443 7471 1 11 . 1 1 109 109 LYS H H 109 7.330 7.330 7.805 -0.475 18443 7472 1 11 . 1 1 110 110 GLU N N 110 119.802 119.802 118.973 0.829 18443 7473 1 11 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.970 -0.009 18443 7474 1 11 . 1 1 110 110 GLU C C 110 179.903 179.903 178.726 1.177 18443 7475 1 11 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.677 0.447 18443 7476 1 11 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.196 -0.424 18443 7477 1 11 . 1 1 110 110 GLU H H 110 8.077 8.077 7.874 0.203 18443 7478 1 11 . 1 1 111 111 LEU N N 111 120.129 120.129 121.534 -1.405 18443 7479 1 11 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.406 0.126 18443 7480 1 11 . 1 1 111 111 LEU C C 111 179.792 179.792 178.316 1.476 18443 7481 1 11 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.484 -0.050 18443 7482 1 11 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.578 1.149 18443 7483 1 11 . 1 1 111 111 LEU H H 111 8.341 8.341 8.250 0.091 18443 7484 1 11 . 1 1 112 112 ARG N N 112 118.350 118.350 119.191 -0.841 18443 7485 1 11 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.815 0.081 18443 7486 1 11 . 1 1 112 112 ARG C C 112 179.446 179.446 178.143 1.303 18443 7487 1 11 . 1 1 112 112 ARG CA C 112 60.323 60.323 59.672 0.652 18443 7488 1 11 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.886 -0.008 18443 7489 1 11 . 1 1 112 112 ARG H H 112 8.166 8.166 8.033 0.133 18443 7490 1 11 . 1 1 113 113 GLN N N 113 118.358 118.358 118.443 -0.085 18443 7491 1 11 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.108 -0.015 18443 7492 1 11 . 1 1 113 113 GLN C C 113 179.137 179.137 178.529 0.608 18443 7493 1 11 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.545 0.286 18443 7494 1 11 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.250 0.220 18443 7495 1 11 . 1 1 113 113 GLN H H 113 7.842 7.842 7.779 0.063 18443 7496 1 11 . 1 1 114 114 VAL N N 114 120.174 120.174 121.079 -0.905 18443 7497 1 11 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.801 -0.150 18443 7498 1 11 . 1 1 114 114 VAL C C 114 177.853 177.853 178.482 -0.629 18443 7499 1 11 . 1 1 114 114 VAL CA C 114 66.063 66.063 64.987 1.076 18443 7500 1 11 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.630 0.610 18443 7501 1 11 . 1 1 114 114 VAL H H 114 7.947 7.947 7.680 0.267 18443 7502 1 11 . 1 1 115 115 CYS N N 115 117.549 117.549 120.977 -3.428 18443 7503 1 11 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.327 -0.247 18443 7504 1 11 . 1 1 115 115 CYS C C 115 177.204 177.204 177.449 -0.245 18443 7505 1 11 . 1 1 115 115 CYS CA C 115 63.574 63.574 62.643 0.931 18443 7506 1 11 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.099 0.658 18443 7507 1 11 . 1 1 115 115 CYS H H 115 7.801 7.801 8.497 -0.696 18443 7508 1 11 . 1 1 116 116 VAL N N 116 119.053 119.053 119.534 -0.481 18443 7509 1 11 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.723 0.130 18443 7510 1 11 . 1 1 116 116 VAL C C 116 178.840 178.840 177.819 1.021 18443 7511 1 11 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.138 -0.696 18443 7512 1 11 . 1 1 116 116 VAL CB C 116 31.908 31.908 30.966 0.942 18443 7513 1 11 . 1 1 116 116 VAL H H 116 7.465 7.465 8.031 -0.566 18443 7514 1 11 . 1 1 117 117 LYS N N 117 121.003 121.003 119.409 1.594 18443 7515 1 11 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.411 -0.235 18443 7516 1 11 . 1 1 117 117 LYS C C 117 178.689 178.689 179.377 -0.688 18443 7517 1 11 . 1 1 117 117 LYS CA C 117 58.555 58.555 58.465 0.090 18443 7518 1 11 . 1 1 117 117 LYS CB C 117 32.718 32.718 32.061 0.657 18443 7519 1 11 . 1 1 117 117 LYS H H 117 7.915 7.915 7.763 0.152 18443 7520 1 11 . 1 1 118 118 GLY N N 118 106.132 106.132 107.926 -1.794 18443 7521 1 11 . 1 1 118 118 GLY C C 118 174.909 174.909 175.016 -0.107 18443 7522 1 11 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.134 -0.170 18443 7523 1 11 . 1 1 118 118 GLY H H 118 8.472 8.472 7.783 0.689 18443 7524 1 11 . 1 1 119 119 GLY N N 119 107.977 107.977 107.081 0.896 18443 7525 1 11 . 1 1 119 119 GLY C C 119 174.631 174.631 172.456 2.175 18443 7526 1 11 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.724 1.242 18443 7527 1 11 . 1 1 119 119 GLY H H 119 7.791 7.791 7.815 -0.024 18443 7528 1 11 . 1 1 120 120 ALA N N 120 123.981 123.981 122.760 1.221 18443 7529 1 11 . 1 1 120 120 ALA HA H 120 4.413 4.413 5.016 -0.603 18443 7530 1 11 . 1 1 120 120 ALA C C 120 178.143 178.143 175.909 2.234 18443 7531 1 11 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.961 0.855 18443 7532 1 11 . 1 1 120 120 ALA CB C 120 19.102 19.102 18.953 0.149 18443 7533 1 11 . 1 1 120 120 ALA H H 120 8.171 8.171 7.504 0.667 18443 7534 1 11 . 1 1 121 121 CYS N N 121 117.342 117.342 119.577 -2.235 18443 7535 1 11 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.884 -0.374 18443 7536 1 11 . 1 1 121 121 CYS C C 121 175.318 175.318 175.148 0.170 18443 7537 1 11 . 1 1 121 121 CYS CA C 121 58.974 58.974 56.775 2.199 18443 7538 1 11 . 1 1 121 121 CYS CB C 121 28.109 28.109 28.765 -0.655 18443 7539 1 11 . 1 1 121 121 CYS H H 121 8.200 8.200 9.621 -1.421 18443 7540 1 11 . 1 1 122 122 GLY N N 122 110.351 110.351 109.189 1.162 18443 7541 1 11 . 1 1 122 122 GLY C C 122 174.299 174.299 174.223 0.076 18443 7542 1 11 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.528 -0.002 18443 7543 1 11 . 1 1 122 122 GLY H H 122 8.367 8.367 8.376 -0.009 18443 7544 1 11 . 1 1 123 123 GLU N N 123 120.589 120.589 120.198 0.391 18443 7545 1 11 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.430 -0.123 18443 7546 1 11 . 1 1 123 123 GLU C C 123 177.296 177.296 177.385 -0.089 18443 7547 1 11 . 1 1 123 123 GLU CA C 123 56.830 56.830 55.039 1.791 18443 7548 1 11 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.862 0.599 18443 7549 1 11 . 1 1 123 123 GLU H H 123 8.280 8.280 8.049 0.231 18443 7550 1 11 . 1 1 124 124 GLY N N 124 109.521 109.521 107.633 1.888 18443 7551 1 11 . 1 1 124 124 GLY C C 124 174.189 174.189 173.948 0.241 18443 7552 1 11 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.036 0.504 18443 7553 1 11 . 1 1 124 124 GLY H H 124 8.465 8.465 8.632 -0.167 18443 7554 1 11 . 1 1 125 125 HIS N N 125 118.418 118.418 120.609 -2.191 18443 7555 1 11 . 1 1 125 125 HIS CA C 125 55.971 55.971 57.045 -1.074 18443 7556 1 11 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.225 -0.152 18443 7557 1 11 . 1 1 125 125 HIS H H 125 8.244 8.244 7.790 0.454 18443 7558 1 12 . 1 1 2 2 SER HA H 2 4.050 4.050 4.677 -0.627 18443 7559 1 12 . 1 1 2 2 SER CA C 2 57.351 57.351 57.558 -0.207 18443 7560 1 12 . 1 1 2 2 SER CB C 2 63.259 63.259 64.385 -1.126 18443 7561 1 12 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.510 -0.208 18443 7562 1 12 . 1 1 3 3 LEU C C 3 175.706 175.706 177.853 -2.147 18443 7563 1 12 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.681 -0.395 18443 7564 1 12 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.421 0.499 18443 7565 1 12 . 1 1 4 4 ARG N N 4 127.222 127.222 121.654 5.568 18443 7566 1 12 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.258 0.060 18443 7567 1 12 . 1 1 4 4 ARG C C 4 173.862 173.862 174.754 -0.892 18443 7568 1 12 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.448 0.532 18443 7569 1 12 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.262 2.064 18443 7570 1 12 . 1 1 4 4 ARG H H 4 8.502 8.502 8.491 0.011 18443 7571 1 12 . 1 1 5 5 TRP N N 5 123.052 123.052 125.866 -2.814 18443 7572 1 12 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.081 -0.081 18443 7573 1 12 . 1 1 5 5 TRP C C 5 176.309 176.309 176.040 0.269 18443 7574 1 12 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.593 -0.911 18443 7575 1 12 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.883 1.008 18443 7576 1 12 . 1 1 5 5 TRP H H 5 8.184 8.184 8.329 -0.145 18443 7577 1 12 . 1 1 6 6 TYR N N 6 120.957 120.957 122.626 -1.669 18443 7578 1 12 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.061 -0.082 18443 7579 1 12 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.678 1.506 18443 7580 1 12 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.030 0.307 18443 7581 1 12 . 1 1 6 6 TYR H H 6 8.818 8.818 9.266 -0.448 18443 7582 1 12 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.579 0.331 18443 7583 1 12 . 1 1 7 7 PRO C C 7 177.869 177.869 177.578 0.291 18443 7584 1 12 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.740 -0.162 18443 7585 1 12 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.621 0.324 18443 7586 1 12 . 1 1 8 8 TYR N N 8 122.256 122.256 124.004 -1.748 18443 7587 1 12 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.054 -0.011 18443 7588 1 12 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.418 -0.343 18443 7589 1 12 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.097 0.757 18443 7590 1 12 . 1 1 8 8 TYR H H 8 9.408 9.408 9.216 0.192 18443 7591 1 12 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.094 -0.052 18443 7592 1 12 . 1 1 9 9 PRO C C 9 180.472 180.472 179.022 1.450 18443 7593 1 12 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.138 0.248 18443 7594 1 12 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.241 -0.715 18443 7595 1 12 . 1 1 10 10 GLU N N 10 118.047 118.047 118.353 -0.306 18443 7596 1 12 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.093 -0.039 18443 7597 1 12 . 1 1 10 10 GLU C C 10 178.293 178.293 178.232 0.061 18443 7598 1 12 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.927 0.103 18443 7599 1 12 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.390 0.919 18443 7600 1 12 . 1 1 10 10 GLU H H 10 7.093 7.093 7.825 -0.732 18443 7601 1 12 . 1 1 11 11 ALA N N 11 121.740 121.740 123.503 -1.763 18443 7602 1 12 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.066 -0.445 18443 7603 1 12 . 1 1 11 11 ALA C C 11 178.890 178.890 179.380 -0.490 18443 7604 1 12 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.547 -1.028 18443 7605 1 12 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.474 0.571 18443 7606 1 12 . 1 1 11 11 ALA H H 11 8.447 8.447 8.697 -0.250 18443 7607 1 12 . 1 1 12 12 LEU N N 12 115.622 115.622 118.709 -3.087 18443 7608 1 12 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.648 -0.197 18443 7609 1 12 . 1 1 12 12 LEU C C 12 179.331 179.331 179.394 -0.063 18443 7610 1 12 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.703 0.820 18443 7611 1 12 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.269 0.176 18443 7612 1 12 . 1 1 12 12 LEU H H 12 7.354 7.354 7.889 -0.535 18443 7613 1 12 . 1 1 13 13 ALA N N 13 120.240 120.240 121.621 -1.381 18443 7614 1 12 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.227 -0.052 18443 7615 1 12 . 1 1 13 13 ALA C C 13 181.630 181.630 179.934 1.696 18443 7616 1 12 . 1 1 13 13 ALA CA C 13 55.325 55.325 54.597 0.728 18443 7617 1 12 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.671 -0.516 18443 7618 1 12 . 1 1 13 13 ALA H H 13 7.201 7.201 7.694 -0.493 18443 7619 1 12 . 1 1 14 14 LEU N N 14 120.757 120.757 121.258 -0.501 18443 7620 1 12 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.093 -0.006 18443 7621 1 12 . 1 1 14 14 LEU C C 14 179.635 179.635 178.977 0.658 18443 7622 1 12 . 1 1 14 14 LEU CA C 14 57.688 57.688 58.218 -0.530 18443 7623 1 12 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.771 1.021 18443 7624 1 12 . 1 1 14 14 LEU H H 14 8.202 8.202 8.244 -0.042 18443 7625 1 12 . 1 1 15 15 ALA N N 15 121.483 121.483 119.754 1.729 18443 7626 1 12 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.012 -0.138 18443 7627 1 12 . 1 1 15 15 ALA C C 15 180.839 180.839 179.797 1.042 18443 7628 1 12 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.398 0.850 18443 7629 1 12 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.382 1.254 18443 7630 1 12 . 1 1 15 15 ALA H H 15 8.594 8.594 8.083 0.511 18443 7631 1 12 . 1 1 16 16 GLN N N 16 117.131 117.131 119.723 -2.592 18443 7632 1 12 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.065 -0.096 18443 7633 1 12 . 1 1 16 16 GLN C C 16 178.701 178.701 177.662 1.039 18443 7634 1 12 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.657 0.496 18443 7635 1 12 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.881 -0.002 18443 7636 1 12 . 1 1 16 16 GLN H H 16 8.609 8.609 8.130 0.479 18443 7637 1 12 . 1 1 17 17 ALA N N 17 120.088 120.088 119.653 0.435 18443 7638 1 12 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.230 -0.111 18443 7639 1 12 . 1 1 17 17 ALA C C 17 179.305 179.305 178.517 0.788 18443 7640 1 12 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.664 0.955 18443 7641 1 12 . 1 1 17 17 ALA CB C 17 18.263 18.263 19.072 -0.809 18443 7642 1 12 . 1 1 17 17 ALA H H 17 7.635 7.635 8.190 -0.555 18443 7643 1 12 . 1 1 18 18 HIS N N 18 111.636 111.636 114.756 -3.120 18443 7644 1 12 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.678 0.134 18443 7645 1 12 . 1 1 18 18 HIS C C 18 175.021 175.021 175.612 -0.591 18443 7646 1 12 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.933 -0.396 18443 7647 1 12 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.096 0.115 18443 7648 1 12 . 1 1 18 18 HIS H H 18 7.728 7.728 7.689 0.039 18443 7649 1 12 . 1 1 19 19 GLY N N 19 111.899 111.899 108.650 3.249 18443 7650 1 12 . 1 1 19 19 GLY C C 19 175.071 175.071 174.285 0.786 18443 7651 1 12 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.659 1.996 18443 7652 1 12 . 1 1 19 19 GLY H H 19 7.886 7.886 8.004 -0.118 18443 7653 1 12 . 1 1 20 20 ARG N N 20 118.442 118.442 118.837 -0.395 18443 7654 1 12 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.537 0.074 18443 7655 1 12 . 1 1 20 20 ARG C C 20 174.586 174.586 175.143 -0.557 18443 7656 1 12 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.816 0.695 18443 7657 1 12 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.457 1.818 18443 7658 1 12 . 1 1 20 20 ARG H H 20 8.239 8.239 8.194 0.045 18443 7659 1 12 . 1 1 21 21 MET N N 21 115.457 115.457 117.555 -2.098 18443 7660 1 12 . 1 1 21 21 MET HA H 21 4.870 4.870 4.744 0.126 18443 7661 1 12 . 1 1 21 21 MET C C 21 175.707 175.707 175.321 0.386 18443 7662 1 12 . 1 1 21 21 MET CA C 21 56.111 56.111 55.093 1.018 18443 7663 1 12 . 1 1 21 21 MET CB C 21 35.717 35.717 35.502 0.215 18443 7664 1 12 . 1 1 21 21 MET H H 21 7.193 7.193 8.634 -1.441 18443 7665 1 12 . 1 1 22 22 VAL N N 22 119.607 119.607 120.193 -0.586 18443 7666 1 12 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.777 0.533 18443 7667 1 12 . 1 1 22 22 VAL C C 22 176.506 176.506 174.828 1.678 18443 7668 1 12 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.070 -0.641 18443 7669 1 12 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.511 2.147 18443 7670 1 12 . 1 1 22 22 VAL H H 22 9.034 9.034 9.131 -0.097 18443 7671 1 12 . 1 1 23 23 MET N N 23 126.309 126.309 128.947 -2.638 18443 7672 1 12 . 1 1 23 23 MET HA H 23 4.878 4.878 5.067 -0.189 18443 7673 1 12 . 1 1 23 23 MET C C 23 173.960 173.960 174.249 -0.289 18443 7674 1 12 . 1 1 23 23 MET CA C 23 54.184 54.184 54.090 0.094 18443 7675 1 12 . 1 1 23 23 MET CB C 23 36.920 36.920 34.681 2.239 18443 7676 1 12 . 1 1 23 23 MET H H 23 8.704 8.704 9.043 -0.339 18443 7677 1 12 . 1 1 24 24 VAL N N 24 128.959 128.959 128.944 0.015 18443 7678 1 12 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.995 0.343 18443 7679 1 12 . 1 1 24 24 VAL C C 24 174.245 174.245 173.971 0.274 18443 7680 1 12 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.412 -0.659 18443 7681 1 12 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.146 0.674 18443 7682 1 12 . 1 1 24 24 VAL H H 24 9.908 9.908 9.182 0.726 18443 7683 1 12 . 1 1 25 25 TYR N N 25 129.726 129.726 130.455 -0.729 18443 7684 1 12 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.852 0.375 18443 7685 1 12 . 1 1 25 25 TYR C C 25 173.393 173.393 173.472 -0.079 18443 7686 1 12 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.646 -2.563 18443 7687 1 12 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.807 -0.289 18443 7688 1 12 . 1 1 25 25 TYR H H 25 9.031 9.031 8.887 0.144 18443 7689 1 12 . 1 1 26 26 PHE N N 26 126.719 126.719 127.502 -0.783 18443 7690 1 12 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.847 0.248 18443 7691 1 12 . 1 1 26 26 PHE C C 26 174.151 174.151 174.682 -0.531 18443 7692 1 12 . 1 1 26 26 PHE CA C 26 57.438 57.438 56.981 0.457 18443 7693 1 12 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.696 -0.072 18443 7694 1 12 . 1 1 26 26 PHE H H 26 9.162 9.162 8.674 0.488 18443 7695 1 12 . 1 1 27 27 HIS N N 27 118.311 118.311 119.232 -0.921 18443 7696 1 12 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.853 0.309 18443 7697 1 12 . 1 1 27 27 HIS C C 27 173.044 173.044 173.402 -0.358 18443 7698 1 12 . 1 1 27 27 HIS CA C 27 53.460 53.460 54.342 -0.882 18443 7699 1 12 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.049 2.039 18443 7700 1 12 . 1 1 27 27 HIS H H 27 8.168 8.168 8.492 -0.324 18443 7701 1 12 . 1 1 28 28 SER N N 28 112.150 112.150 114.280 -2.130 18443 7702 1 12 . 1 1 28 28 SER HA H 28 4.790 4.790 5.159 -0.369 18443 7703 1 12 . 1 1 28 28 SER C C 28 176.815 176.815 173.694 3.121 18443 7704 1 12 . 1 1 28 28 SER CA C 28 56.260 56.260 56.775 -0.515 18443 7705 1 12 . 1 1 28 28 SER CB C 28 65.470 65.470 66.578 -1.107 18443 7706 1 12 . 1 1 28 28 SER H H 28 7.545 7.545 8.540 -0.995 18443 7707 1 12 . 1 1 29 29 GLU N N 29 130.603 130.603 124.188 6.415 18443 7708 1 12 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.111 -0.011 18443 7709 1 12 . 1 1 29 29 GLU C C 29 176.980 176.980 177.293 -0.313 18443 7710 1 12 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.383 0.287 18443 7711 1 12 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.882 -0.243 18443 7712 1 12 . 1 1 29 29 GLU H H 29 9.681 9.681 9.646 0.035 18443 7713 1 12 . 1 1 30 30 HIS N N 30 114.752 114.752 116.911 -2.159 18443 7714 1 12 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.505 0.189 18443 7715 1 12 . 1 1 30 30 HIS C C 30 173.679 173.679 174.537 -0.858 18443 7716 1 12 . 1 1 30 30 HIS CA C 30 54.393 54.393 57.762 -3.369 18443 7717 1 12 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.076 -0.704 18443 7718 1 12 . 1 1 30 30 HIS H H 30 8.226 8.226 7.942 0.284 18443 7719 1 12 . 1 1 31 31 CYS N N 31 124.685 124.685 118.022 6.663 18443 7720 1 12 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.972 -0.026 18443 7721 1 12 . 1 1 31 31 CYS C C 31 175.771 175.771 173.882 1.889 18443 7722 1 12 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.249 -0.133 18443 7723 1 12 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.169 3.246 18443 7724 1 12 . 1 1 31 31 CYS H H 31 7.091 7.091 8.000 -0.909 18443 7725 1 12 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.687 -0.353 18443 7726 1 12 . 1 1 32 32 PRO C C 32 179.352 179.352 175.615 3.737 18443 7727 1 12 . 1 1 32 32 PRO CA C 32 64.193 64.193 62.782 1.411 18443 7728 1 12 . 1 1 32 32 PRO CB C 32 32.072 32.072 30.239 1.833 18443 7729 1 12 . 1 1 33 33 TYR N N 33 125.092 125.092 119.195 5.897 18443 7730 1 12 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.299 0.196 18443 7731 1 12 . 1 1 33 33 TYR C C 33 179.457 179.457 178.043 1.414 18443 7732 1 12 . 1 1 33 33 TYR CA C 33 60.880 60.880 61.920 -1.040 18443 7733 1 12 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.144 0.201 18443 7734 1 12 . 1 1 33 33 TYR H H 33 8.621 8.621 8.156 0.465 18443 7735 1 12 . 1 1 34 34 CYS N N 34 127.272 127.272 117.179 10.093 18443 7736 1 12 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.318 0.017 18443 7737 1 12 . 1 1 34 34 CYS C C 34 176.672 176.672 175.913 0.759 18443 7738 1 12 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.993 3.166 18443 7739 1 12 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.496 1.381 18443 7740 1 12 . 1 1 34 34 CYS H H 34 9.440 9.440 8.571 0.869 18443 7741 1 12 . 1 1 35 35 GLN N N 35 118.373 118.373 118.053 0.320 18443 7742 1 12 . 1 1 35 35 GLN HA H 35 4.059 4.059 4.087 -0.028 18443 7743 1 12 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.744 0.630 18443 7744 1 12 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.879 -0.303 18443 7745 1 12 . 1 1 35 35 GLN H H 35 7.866 7.866 8.651 -0.785 18443 7746 1 12 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.267 -0.021 18443 7747 1 12 . 1 1 36 36 GLN C C 36 178.881 178.881 177.941 0.940 18443 7748 1 12 . 1 1 36 36 GLN CA C 36 59.626 59.626 57.989 1.637 18443 7749 1 12 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.948 -0.343 18443 7750 1 12 . 1 1 37 37 MET N N 37 117.759 117.759 120.708 -2.949 18443 7751 1 12 . 1 1 37 37 MET HA H 37 4.488 4.488 4.323 0.165 18443 7752 1 12 . 1 1 37 37 MET C C 37 179.838 179.838 177.568 2.270 18443 7753 1 12 . 1 1 37 37 MET CA C 37 57.229 57.229 59.339 -2.110 18443 7754 1 12 . 1 1 37 37 MET CB C 37 29.983 29.983 32.860 -2.877 18443 7755 1 12 . 1 1 37 37 MET H H 37 8.125 8.125 8.124 0.001 18443 7756 1 12 . 1 1 38 38 ASN N N 38 122.249 122.249 118.280 3.969 18443 7757 1 12 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.550 -0.188 18443 7758 1 12 . 1 1 38 38 ASN C C 38 177.355 177.355 176.655 0.700 18443 7759 1 12 . 1 1 38 38 ASN CA C 38 56.435 56.435 55.533 0.902 18443 7760 1 12 . 1 1 38 38 ASN CB C 38 37.512 37.512 37.592 -0.080 18443 7761 1 12 . 1 1 38 38 ASN H H 38 9.245 9.245 8.867 0.378 18443 7762 1 12 . 1 1 39 39 THR N N 39 113.554 113.554 113.979 -0.425 18443 7763 1 12 . 1 1 39 39 THR HA H 39 3.853 3.853 3.963 -0.110 18443 7764 1 12 . 1 1 39 39 THR C C 39 176.277 176.277 174.871 1.406 18443 7765 1 12 . 1 1 39 39 THR CA C 39 65.843 65.843 65.137 0.706 18443 7766 1 12 . 1 1 39 39 THR CB C 39 69.595 69.595 68.814 0.781 18443 7767 1 12 . 1 1 39 39 THR H H 39 8.034 8.034 7.758 0.276 18443 7768 1 12 . 1 1 40 40 PHE N N 40 116.394 116.394 119.147 -2.753 18443 7769 1 12 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.438 0.382 18443 7770 1 12 . 1 1 40 40 PHE C C 40 176.255 176.255 177.503 -1.248 18443 7771 1 12 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.008 -1.293 18443 7772 1 12 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.469 2.416 18443 7773 1 12 . 1 1 40 40 PHE H H 40 8.309 8.309 7.451 0.858 18443 7774 1 12 . 1 1 41 41 VAL N N 41 117.246 117.246 118.656 -1.410 18443 7775 1 12 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.771 0.535 18443 7776 1 12 . 1 1 41 41 VAL C C 41 176.704 176.704 177.996 -1.292 18443 7777 1 12 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.143 -0.304 18443 7778 1 12 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.468 2.171 18443 7779 1 12 . 1 1 41 41 VAL H H 41 7.678 7.678 7.730 -0.052 18443 7780 1 12 . 1 1 42 42 LEU N N 42 117.179 117.179 117.246 -0.067 18443 7781 1 12 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.051 -0.103 18443 7782 1 12 . 1 1 42 42 LEU C C 42 175.837 175.837 177.272 -1.435 18443 7783 1 12 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.329 0.967 18443 7784 1 12 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.283 -1.169 18443 7785 1 12 . 1 1 42 42 LEU H H 42 8.882 8.882 8.317 0.565 18443 7786 1 12 . 1 1 43 43 SER N N 43 105.494 105.494 112.260 -6.766 18443 7787 1 12 . 1 1 43 43 SER HA H 43 4.408 4.408 4.375 0.033 18443 7788 1 12 . 1 1 43 43 SER C C 43 175.397 175.397 174.517 0.880 18443 7789 1 12 . 1 1 43 43 SER CA C 43 57.144 57.144 57.998 -0.854 18443 7790 1 12 . 1 1 43 43 SER CB C 43 64.117 64.117 63.211 0.906 18443 7791 1 12 . 1 1 43 43 SER H H 43 6.785 6.785 7.317 -0.532 18443 7792 1 12 . 1 1 44 44 ASP N N 44 126.617 126.617 124.055 2.562 18443 7793 1 12 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.631 0.180 18443 7794 1 12 . 1 1 44 44 ASP C C 44 175.644 175.644 175.586 0.058 18443 7795 1 12 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.616 -0.943 18443 7796 1 12 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.090 1.583 18443 7797 1 12 . 1 1 44 44 ASP H H 44 7.443 7.443 7.384 0.059 18443 7798 1 12 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.216 0.136 18443 7799 1 12 . 1 1 45 45 PRO C C 45 178.792 178.792 178.580 0.212 18443 7800 1 12 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.520 0.239 18443 7801 1 12 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.852 0.487 18443 7802 1 12 . 1 1 46 46 GLY N N 46 107.270 107.270 105.094 2.176 18443 7803 1 12 . 1 1 46 46 GLY C C 46 176.799 176.799 176.539 0.260 18443 7804 1 12 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.776 0.252 18443 7805 1 12 . 1 1 46 46 GLY H H 46 8.161 8.161 7.707 0.454 18443 7806 1 12 . 1 1 47 47 VAL N N 47 124.473 124.473 122.424 2.049 18443 7807 1 12 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.651 -0.056 18443 7808 1 12 . 1 1 47 47 VAL C C 47 177.886 177.886 178.176 -0.290 18443 7809 1 12 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.757 0.743 18443 7810 1 12 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.088 1.337 18443 7811 1 12 . 1 1 47 47 VAL H H 47 8.344 8.344 8.373 -0.029 18443 7812 1 12 . 1 1 48 48 SER N N 48 113.807 113.807 116.413 -2.606 18443 7813 1 12 . 1 1 48 48 SER HA H 48 4.053 4.053 4.096 -0.043 18443 7814 1 12 . 1 1 48 48 SER C C 48 176.889 176.889 176.639 0.250 18443 7815 1 12 . 1 1 48 48 SER CA C 48 62.777 62.777 62.555 0.222 18443 7816 1 12 . 1 1 48 48 SER CB C 48 62.884 62.884 62.875 0.009 18443 7817 1 12 . 1 1 48 48 SER H H 48 9.023 9.023 8.736 0.287 18443 7818 1 12 . 1 1 49 49 ARG N N 49 119.875 119.875 120.294 -0.419 18443 7819 1 12 . 1 1 49 49 ARG HA H 49 4.164 4.164 3.989 0.175 18443 7820 1 12 . 1 1 49 49 ARG C C 49 179.398 179.398 178.731 0.667 18443 7821 1 12 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.299 0.259 18443 7822 1 12 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.084 0.164 18443 7823 1 12 . 1 1 49 49 ARG H H 49 8.081 8.081 8.233 -0.152 18443 7824 1 12 . 1 1 50 50 LEU N N 50 121.717 121.717 120.209 1.508 18443 7825 1 12 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.088 0.291 18443 7826 1 12 . 1 1 50 50 LEU C C 50 179.482 179.482 178.728 0.754 18443 7827 1 12 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.537 0.669 18443 7828 1 12 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.981 -0.146 18443 7829 1 12 . 1 1 50 50 LEU H H 50 7.291 7.291 7.469 -0.178 18443 7830 1 12 . 1 1 51 51 LEU N N 51 118.677 118.677 118.559 0.118 18443 7831 1 12 . 1 1 51 51 LEU HA H 51 4.290 4.290 3.970 0.320 18443 7832 1 12 . 1 1 51 51 LEU C C 51 179.233 179.233 179.411 -0.178 18443 7833 1 12 . 1 1 51 51 LEU CA C 51 58.343 58.343 56.877 1.466 18443 7834 1 12 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.537 1.849 18443 7835 1 12 . 1 1 51 51 LEU H H 51 8.358 8.358 7.667 0.691 18443 7836 1 12 . 1 1 52 52 GLU N N 52 116.437 116.437 119.592 -3.155 18443 7837 1 12 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.014 0.154 18443 7838 1 12 . 1 1 52 52 GLU C C 52 178.898 178.898 177.999 0.899 18443 7839 1 12 . 1 1 52 52 GLU CA C 52 58.993 58.993 58.946 0.047 18443 7840 1 12 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.563 0.642 18443 7841 1 12 . 1 1 52 52 GLU H H 52 8.715 8.715 8.752 -0.037 18443 7842 1 12 . 1 1 53 53 ALA N N 53 119.092 119.092 120.816 -1.724 18443 7843 1 12 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.219 0.208 18443 7844 1 12 . 1 1 53 53 ALA C C 53 180.298 180.298 177.959 2.339 18443 7845 1 12 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.613 -0.050 18443 7846 1 12 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.238 0.980 18443 7847 1 12 . 1 1 53 53 ALA H H 53 7.782 7.782 7.499 0.283 18443 7848 1 12 . 1 1 54 54 ARG N N 54 111.562 111.562 112.596 -1.034 18443 7849 1 12 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.455 0.200 18443 7850 1 12 . 1 1 54 54 ARG C C 54 175.560 175.560 174.503 1.057 18443 7851 1 12 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.258 -0.227 18443 7852 1 12 . 1 1 54 54 ARG CB C 54 33.337 33.337 29.986 3.351 18443 7853 1 12 . 1 1 54 54 ARG H H 54 7.740 7.740 7.820 -0.080 18443 7854 1 12 . 1 1 55 55 PHE N N 55 117.038 117.038 120.690 -3.652 18443 7855 1 12 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.556 0.106 18443 7856 1 12 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.659 0.169 18443 7857 1 12 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.648 0.634 18443 7858 1 12 . 1 1 55 55 PHE H H 55 8.555 8.555 8.379 0.176 18443 7859 1 12 . 1 1 56 56 VAL N N 56 121.038 121.038 123.132 -2.094 18443 7860 1 12 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.384 -0.059 18443 7861 1 12 . 1 1 56 56 VAL C C 56 175.305 175.305 175.003 0.302 18443 7862 1 12 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.255 1.690 18443 7863 1 12 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.580 1.925 18443 7864 1 12 . 1 1 56 56 VAL H H 56 8.817 8.817 9.413 -0.596 18443 7865 1 12 . 1 1 57 57 VAL N N 57 125.781 125.781 128.595 -2.814 18443 7866 1 12 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.455 0.521 18443 7867 1 12 . 1 1 57 57 VAL C C 57 174.535 174.535 174.510 0.025 18443 7868 1 12 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.214 0.176 18443 7869 1 12 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.089 0.847 18443 7870 1 12 . 1 1 57 57 VAL H H 57 9.498 9.498 8.321 1.177 18443 7871 1 12 . 1 1 58 58 ALA N N 58 128.137 128.137 130.912 -2.775 18443 7872 1 12 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.626 -0.005 18443 7873 1 12 . 1 1 58 58 ALA C C 58 175.953 175.953 177.125 -1.172 18443 7874 1 12 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.550 -0.786 18443 7875 1 12 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.772 0.943 18443 7876 1 12 . 1 1 58 58 ALA H H 58 9.062 9.062 9.149 -0.087 18443 7877 1 12 . 1 1 59 59 SER N N 59 117.343 117.343 121.654 -4.311 18443 7878 1 12 . 1 1 59 59 SER HA H 59 4.693 4.693 4.941 -0.248 18443 7879 1 12 . 1 1 59 59 SER C C 59 174.092 174.092 174.257 -0.165 18443 7880 1 12 . 1 1 59 59 SER CA C 59 56.135 56.135 57.895 -1.760 18443 7881 1 12 . 1 1 59 59 SER CB C 59 63.731 63.731 62.902 0.829 18443 7882 1 12 . 1 1 59 59 SER H H 59 8.676 8.676 8.830 -0.154 18443 7883 1 12 . 1 1 60 60 VAL N N 60 129.829 129.829 126.916 2.913 18443 7884 1 12 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.331 -0.402 18443 7885 1 12 . 1 1 60 60 VAL C C 60 172.999 172.999 174.470 -1.471 18443 7886 1 12 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.176 0.346 18443 7887 1 12 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.970 -0.635 18443 7888 1 12 . 1 1 60 60 VAL H H 60 8.716 8.716 8.284 0.432 18443 7889 1 12 . 1 1 61 61 SER N N 61 119.457 119.457 122.473 -3.016 18443 7890 1 12 . 1 1 61 61 SER HA H 61 4.211 4.211 4.651 -0.440 18443 7891 1 12 . 1 1 61 61 SER C C 61 178.511 178.511 175.085 3.426 18443 7892 1 12 . 1 1 61 61 SER CA C 61 55.404 55.404 56.398 -0.994 18443 7893 1 12 . 1 1 61 61 SER CB C 61 63.080 63.080 64.953 -1.873 18443 7894 1 12 . 1 1 61 61 SER H H 61 8.250 8.250 8.663 -0.413 18443 7895 1 12 . 1 1 62 62 VAL N N 62 123.331 123.331 122.943 0.388 18443 7896 1 12 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.879 0.162 18443 7897 1 12 . 1 1 62 62 VAL C C 62 174.434 174.434 175.856 -1.422 18443 7898 1 12 . 1 1 62 62 VAL CA C 62 62.777 62.777 63.993 -1.216 18443 7899 1 12 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.445 -1.578 18443 7900 1 12 . 1 1 62 62 VAL H H 62 8.954 8.954 8.443 0.511 18443 7901 1 12 . 1 1 63 63 ASP N N 63 119.953 119.953 116.772 3.181 18443 7902 1 12 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.609 0.110 18443 7903 1 12 . 1 1 63 63 ASP C C 63 175.930 175.930 176.369 -0.439 18443 7904 1 12 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.531 -0.601 18443 7905 1 12 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.480 -0.262 18443 7906 1 12 . 1 1 63 63 ASP H H 63 7.966 7.966 8.375 -0.409 18443 7907 1 12 . 1 1 64 64 THR N N 64 108.822 108.822 114.930 -6.108 18443 7908 1 12 . 1 1 64 64 THR HA H 64 4.963 4.963 4.859 0.104 18443 7909 1 12 . 1 1 64 64 THR C C 64 173.012 173.012 173.587 -0.575 18443 7910 1 12 . 1 1 64 64 THR CA C 64 58.176 58.176 58.117 0.059 18443 7911 1 12 . 1 1 64 64 THR CB C 64 70.326 70.326 70.526 -0.200 18443 7912 1 12 . 1 1 64 64 THR H H 64 7.315 7.315 7.367 -0.051 18443 7913 1 12 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.181 0.107 18443 7914 1 12 . 1 1 65 65 PRO C C 65 180.307 180.307 178.351 1.956 18443 7915 1 12 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.061 -0.220 18443 7916 1 12 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.804 0.157 18443 7917 1 12 . 1 1 66 66 GLU N N 66 118.398 118.398 117.622 0.776 18443 7918 1 12 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.138 0.023 18443 7919 1 12 . 1 1 66 66 GLU C C 66 179.940 179.940 178.560 1.380 18443 7920 1 12 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.087 0.852 18443 7921 1 12 . 1 1 66 66 GLU CB C 66 28.871 28.871 28.112 0.759 18443 7922 1 12 . 1 1 66 66 GLU H H 66 9.304 9.304 8.617 0.687 18443 7923 1 12 . 1 1 67 67 GLY N N 67 110.592 110.592 108.249 2.343 18443 7924 1 12 . 1 1 67 67 GLY C C 67 176.529 176.529 176.094 0.435 18443 7925 1 12 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.143 0.721 18443 7926 1 12 . 1 1 67 67 GLY H H 67 8.172 8.172 8.148 0.024 18443 7927 1 12 . 1 1 68 68 GLN N N 68 121.948 121.948 122.109 -0.161 18443 7928 1 12 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.962 0.051 18443 7929 1 12 . 1 1 68 68 GLN C C 68 179.366 179.366 177.726 1.640 18443 7930 1 12 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.981 0.210 18443 7931 1 12 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.798 -0.864 18443 7932 1 12 . 1 1 68 68 GLN H H 68 8.504 8.504 8.694 -0.190 18443 7933 1 12 . 1 1 69 69 GLU N N 69 120.280 120.280 121.316 -1.036 18443 7934 1 12 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.016 0.154 18443 7935 1 12 . 1 1 69 69 GLU C C 69 179.360 179.360 178.895 0.465 18443 7936 1 12 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.315 0.175 18443 7937 1 12 . 1 1 69 69 GLU CB C 69 28.931 28.931 28.969 -0.038 18443 7938 1 12 . 1 1 69 69 GLU H H 69 7.815 7.815 8.250 -0.435 18443 7939 1 12 . 1 1 70 70 LEU N N 70 121.041 121.041 119.690 1.351 18443 7940 1 12 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.094 0.022 18443 7941 1 12 . 1 1 70 70 LEU C C 70 178.961 178.961 179.155 -0.194 18443 7942 1 12 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.780 0.413 18443 7943 1 12 . 1 1 70 70 LEU CB C 70 42.727 42.727 40.807 1.920 18443 7944 1 12 . 1 1 70 70 LEU H H 70 7.758 7.758 7.717 0.041 18443 7945 1 12 . 1 1 71 71 ALA N N 71 122.094 122.094 121.791 0.303 18443 7946 1 12 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.776 -0.203 18443 7947 1 12 . 1 1 71 71 ALA C C 71 179.966 179.966 179.537 0.429 18443 7948 1 12 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.439 -0.401 18443 7949 1 12 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.384 -0.964 18443 7950 1 12 . 1 1 71 71 ALA H H 71 8.745 8.745 8.407 0.338 18443 7951 1 12 . 1 1 72 72 ARG N N 72 118.463 118.463 116.734 1.729 18443 7952 1 12 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.103 0.018 18443 7953 1 12 . 1 1 72 72 ARG C C 72 180.905 180.905 178.447 2.458 18443 7954 1 12 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.326 1.198 18443 7955 1 12 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.784 0.518 18443 7956 1 12 . 1 1 72 72 ARG H H 72 7.862 7.862 8.150 -0.288 18443 7957 1 12 . 1 1 73 73 ARG N N 73 122.223 122.223 121.554 0.669 18443 7958 1 12 . 1 1 73 73 ARG HA H 73 3.958 3.958 3.941 0.017 18443 7959 1 12 . 1 1 73 73 ARG C C 73 178.562 178.562 178.282 0.280 18443 7960 1 12 . 1 1 73 73 ARG CA C 73 59.538 59.538 59.504 0.034 18443 7961 1 12 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.376 -0.185 18443 7962 1 12 . 1 1 73 73 ARG H H 73 8.189 8.189 8.051 0.138 18443 7963 1 12 . 1 1 74 74 TYR N N 74 114.319 114.319 115.404 -1.085 18443 7964 1 12 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.537 -0.136 18443 7965 1 12 . 1 1 74 74 TYR C C 74 174.321 174.321 175.339 -1.018 18443 7966 1 12 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.297 0.487 18443 7967 1 12 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.954 0.310 18443 7968 1 12 . 1 1 74 74 TYR H H 74 8.047 8.047 8.286 -0.239 18443 7969 1 12 . 1 1 75 75 ARG N N 75 119.572 119.572 117.220 2.352 18443 7970 1 12 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.939 -0.070 18443 7971 1 12 . 1 1 75 75 ARG C C 75 175.880 175.880 174.294 1.586 18443 7972 1 12 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.951 -0.111 18443 7973 1 12 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.552 -1.044 18443 7974 1 12 . 1 1 75 75 ARG H H 75 7.865 7.865 7.677 0.188 18443 7975 1 12 . 1 1 76 76 VAL N N 76 119.885 119.885 121.899 -2.014 18443 7976 1 12 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.249 -0.458 18443 7977 1 12 . 1 1 76 76 VAL C C 76 176.374 176.374 173.744 2.630 18443 7978 1 12 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.804 1.952 18443 7979 1 12 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.763 -0.850 18443 7980 1 12 . 1 1 76 76 VAL H H 76 8.024 8.024 7.989 0.035 18443 7981 1 12 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.652 -0.255 18443 7982 1 12 . 1 1 77 77 PRO C C 77 175.829 175.829 177.209 -1.380 18443 7983 1 12 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.064 1.398 18443 7984 1 12 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.335 -0.578 18443 7985 1 12 . 1 1 78 78 GLY N N 78 105.453 105.453 112.223 -6.770 18443 7986 1 12 . 1 1 78 78 GLY C C 78 171.794 171.794 173.341 -1.547 18443 7987 1 12 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.837 -0.228 18443 7988 1 12 . 1 1 78 78 GLY H H 78 6.725 6.725 8.654 -1.929 18443 7989 1 12 . 1 1 79 79 THR N N 79 110.056 110.056 112.695 -2.639 18443 7990 1 12 . 1 1 79 79 THR HA H 79 4.886 4.886 4.094 0.792 18443 7991 1 12 . 1 1 79 79 THR CA C 79 57.957 57.957 61.862 -3.905 18443 7992 1 12 . 1 1 79 79 THR CB C 79 70.685 70.685 68.308 2.377 18443 7993 1 12 . 1 1 79 79 THR H H 79 8.771 8.771 7.706 1.065 18443 7994 1 12 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.585 0.494 18443 7995 1 12 . 1 1 80 80 PRO C C 80 176.536 176.536 176.075 0.461 18443 7996 1 12 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.647 -0.088 18443 7997 1 12 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.718 2.953 18443 7998 1 12 . 1 1 81 81 THR N N 81 116.755 116.755 118.208 -1.453 18443 7999 1 12 . 1 1 81 81 THR HA H 81 5.425 5.425 5.296 0.129 18443 8000 1 12 . 1 1 81 81 THR C C 81 171.960 171.960 173.284 -1.324 18443 8001 1 12 . 1 1 81 81 THR CA C 81 63.540 63.540 61.530 2.010 18443 8002 1 12 . 1 1 81 81 THR CB C 81 71.840 71.840 71.607 0.233 18443 8003 1 12 . 1 1 81 81 THR H H 81 8.176 8.176 7.852 0.324 18443 8004 1 12 . 1 1 82 82 PHE N N 82 126.263 126.263 127.278 -1.015 18443 8005 1 12 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.262 0.374 18443 8006 1 12 . 1 1 82 82 PHE C C 82 174.738 174.738 174.761 -0.023 18443 8007 1 12 . 1 1 82 82 PHE CA C 82 55.770 55.770 55.964 -0.194 18443 8008 1 12 . 1 1 82 82 PHE CB C 82 41.280 41.280 39.895 1.385 18443 8009 1 12 . 1 1 82 82 PHE H H 82 9.540 9.540 9.329 0.211 18443 8010 1 12 . 1 1 83 83 VAL N N 83 123.703 123.703 124.016 -0.313 18443 8011 1 12 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.527 0.014 18443 8012 1 12 . 1 1 83 83 VAL C C 83 174.159 174.159 174.824 -0.665 18443 8013 1 12 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.455 0.574 18443 8014 1 12 . 1 1 83 83 VAL CB C 83 35.107 35.107 32.521 2.586 18443 8015 1 12 . 1 1 83 83 VAL H H 83 9.208 9.208 8.914 0.294 18443 8016 1 12 . 1 1 84 84 PHE N N 84 126.003 126.003 127.483 -1.480 18443 8017 1 12 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.458 0.352 18443 8018 1 12 . 1 1 84 84 PHE C C 84 175.481 175.481 175.209 0.272 18443 8019 1 12 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.375 0.878 18443 8020 1 12 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.375 1.437 18443 8021 1 12 . 1 1 84 84 PHE H H 84 8.878 8.878 8.499 0.379 18443 8022 1 12 . 1 1 85 85 LEU N N 85 123.597 123.597 123.482 0.115 18443 8023 1 12 . 1 1 85 85 LEU HA H 85 5.894 5.894 6.010 -0.116 18443 8024 1 12 . 1 1 85 85 LEU C C 85 176.528 176.528 176.426 0.102 18443 8025 1 12 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.320 0.050 18443 8026 1 12 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.662 3.537 18443 8027 1 12 . 1 1 85 85 LEU H H 85 9.604 9.604 9.379 0.225 18443 8028 1 12 . 1 1 86 86 VAL N N 86 118.274 118.274 123.412 -5.138 18443 8029 1 12 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.718 0.500 18443 8030 1 12 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.865 -1.304 18443 8031 1 12 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.897 1.596 18443 8032 1 12 . 1 1 86 86 VAL H H 86 9.457 9.457 8.912 0.545 18443 8033 1 12 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.677 -0.729 18443 8034 1 12 . 1 1 87 87 PRO C C 87 177.132 177.132 175.820 1.312 18443 8035 1 12 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.575 0.788 18443 8036 1 12 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.198 -0.540 18443 8037 1 12 . 1 1 88 88 LYS N N 88 124.554 124.554 124.729 -0.175 18443 8038 1 12 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.552 -0.273 18443 8039 1 12 . 1 1 88 88 LYS C C 88 175.739 175.739 176.313 -0.574 18443 8040 1 12 . 1 1 88 88 LYS CA C 88 55.650 55.650 54.141 1.509 18443 8041 1 12 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.026 0.673 18443 8042 1 12 . 1 1 88 88 LYS H H 88 8.119 8.119 8.597 -0.478 18443 8043 1 12 . 1 1 89 89 ALA N N 89 130.786 130.786 128.196 2.590 18443 8044 1 12 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.923 0.047 18443 8045 1 12 . 1 1 89 89 ALA C C 89 176.947 176.947 177.369 -0.422 18443 8046 1 12 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.801 -0.611 18443 8047 1 12 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.672 -0.293 18443 8048 1 12 . 1 1 89 89 ALA H H 89 9.128 9.128 8.795 0.333 18443 8049 1 12 . 1 1 90 90 GLY N N 90 106.698 106.698 106.836 -0.138 18443 8050 1 12 . 1 1 90 90 GLY C C 90 173.352 173.352 172.794 0.558 18443 8051 1 12 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.158 0.428 18443 8052 1 12 . 1 1 90 90 GLY H H 90 8.393 8.393 8.153 0.240 18443 8053 1 12 . 1 1 91 91 ALA N N 91 125.038 125.038 122.118 2.920 18443 8054 1 12 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.639 -0.062 18443 8055 1 12 . 1 1 91 91 ALA C C 91 175.940 175.940 174.314 1.626 18443 8056 1 12 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.872 -0.410 18443 8057 1 12 . 1 1 91 91 ALA CB C 91 20.652 20.652 21.275 -0.623 18443 8058 1 12 . 1 1 91 91 ALA H H 91 7.788 7.788 7.727 0.061 18443 8059 1 12 . 1 1 92 92 TRP N N 92 120.760 120.760 118.691 2.069 18443 8060 1 12 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.627 -0.487 18443 8061 1 12 . 1 1 92 92 TRP C C 92 175.960 175.960 176.960 -1.000 18443 8062 1 12 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.182 0.669 18443 8063 1 12 . 1 1 92 92 TRP CB C 92 32.673 32.673 32.019 0.654 18443 8064 1 12 . 1 1 92 92 TRP H H 92 8.235 8.235 8.403 -0.168 18443 8065 1 12 . 1 1 93 93 GLU N N 93 124.341 124.341 121.159 3.182 18443 8066 1 12 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.779 0.082 18443 8067 1 12 . 1 1 93 93 GLU C C 93 175.515 175.515 175.235 0.280 18443 8068 1 12 . 1 1 93 93 GLU CA C 93 54.779 54.779 55.092 -0.313 18443 8069 1 12 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.552 -0.360 18443 8070 1 12 . 1 1 93 93 GLU H H 93 9.264 9.264 8.857 0.407 18443 8071 1 12 . 1 1 94 94 GLU N N 94 126.987 126.987 126.777 0.210 18443 8072 1 12 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.649 0.548 18443 8073 1 12 . 1 1 94 94 GLU C C 94 177.604 177.604 177.375 0.229 18443 8074 1 12 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.474 0.130 18443 8075 1 12 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.236 0.842 18443 8076 1 12 . 1 1 94 94 GLU H H 94 9.123 9.123 9.095 0.028 18443 8077 1 12 . 1 1 95 95 VAL N N 95 122.004 122.004 121.156 0.848 18443 8078 1 12 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.298 0.394 18443 8079 1 12 . 1 1 95 95 VAL C C 95 175.719 175.719 175.523 0.196 18443 8080 1 12 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.092 -0.757 18443 8081 1 12 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.362 0.903 18443 8082 1 12 . 1 1 95 95 VAL H H 95 9.099 9.099 8.809 0.290 18443 8083 1 12 . 1 1 96 96 GLY N N 96 107.961 107.961 107.775 0.186 18443 8084 1 12 . 1 1 96 96 GLY C C 96 171.052 171.052 171.747 -0.695 18443 8085 1 12 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.102 1.010 18443 8086 1 12 . 1 1 96 96 GLY H H 96 7.754 7.754 7.589 0.165 18443 8087 1 12 . 1 1 97 97 ARG N N 97 117.467 117.467 121.248 -3.781 18443 8088 1 12 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.516 0.161 18443 8089 1 12 . 1 1 97 97 ARG C C 97 174.403 174.403 175.680 -1.277 18443 8090 1 12 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.004 0.622 18443 8091 1 12 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.507 0.806 18443 8092 1 12 . 1 1 97 97 ARG H H 97 8.489 8.489 8.484 0.005 18443 8093 1 12 . 1 1 98 98 LEU N N 98 122.922 122.922 125.185 -2.263 18443 8094 1 12 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.902 0.023 18443 8095 1 12 . 1 1 98 98 LEU C C 98 174.871 174.871 175.199 -0.328 18443 8096 1 12 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.102 -0.131 18443 8097 1 12 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.822 1.720 18443 8098 1 12 . 1 1 98 98 LEU H H 98 9.504 9.504 8.894 0.610 18443 8099 1 12 . 1 1 99 99 PHE N N 99 124.212 124.212 123.653 0.559 18443 8100 1 12 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.835 -0.187 18443 8101 1 12 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.542 -0.791 18443 8102 1 12 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.781 -1.549 18443 8103 1 12 . 1 1 99 99 PHE H H 99 9.146 9.146 8.740 0.406 18443 8104 1 12 . 1 1 100 100 GLY N N 100 116.438 116.438 114.953 1.485 18443 8105 1 12 . 1 1 100 100 GLY C C 100 173.343 173.343 172.691 0.652 18443 8106 1 12 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.107 -0.671 18443 8107 1 12 . 1 1 100 100 GLY H H 100 8.464 8.464 7.397 1.067 18443 8108 1 12 . 1 1 101 101 SER N N 101 112.597 112.597 117.308 -4.711 18443 8109 1 12 . 1 1 101 101 SER HA H 101 4.616 4.616 4.443 0.173 18443 8110 1 12 . 1 1 101 101 SER C C 101 175.075 175.075 174.377 0.698 18443 8111 1 12 . 1 1 101 101 SER CA C 101 58.288 58.288 58.739 -0.451 18443 8112 1 12 . 1 1 101 101 SER CB C 101 64.305 64.305 63.477 0.828 18443 8113 1 12 . 1 1 101 101 SER H H 101 8.366 8.366 8.277 0.089 18443 8114 1 12 . 1 1 102 102 ARG N N 102 119.662 119.662 126.518 -6.856 18443 8115 1 12 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.798 0.133 18443 8116 1 12 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.717 0.103 18443 8117 1 12 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.139 1.303 18443 8118 1 12 . 1 1 102 102 ARG H H 102 7.767 7.767 8.393 -0.626 18443 8119 1 12 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.538 0.013 18443 8120 1 12 . 1 1 103 103 PRO C C 103 177.345 177.345 177.583 -0.238 18443 8121 1 12 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.484 -0.408 18443 8122 1 12 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.458 0.410 18443 8123 1 12 . 1 1 104 104 ARG N N 104 121.205 121.205 122.208 -1.003 18443 8124 1 12 . 1 1 104 104 ARG HA H 104 3.932 3.932 4.021 -0.089 18443 8125 1 12 . 1 1 104 104 ARG C C 104 177.368 177.368 178.025 -0.657 18443 8126 1 12 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.442 1.469 18443 8127 1 12 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.438 0.726 18443 8128 1 12 . 1 1 104 104 ARG H H 104 8.986 8.986 8.765 0.221 18443 8129 1 12 . 1 1 105 105 ALA N N 105 119.508 119.508 121.961 -2.453 18443 8130 1 12 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.153 -0.044 18443 8131 1 12 . 1 1 105 105 ALA C C 105 181.065 181.065 180.097 0.968 18443 8132 1 12 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.934 0.811 18443 8133 1 12 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.905 0.391 18443 8134 1 12 . 1 1 105 105 ALA H H 105 9.033 9.033 8.599 0.434 18443 8135 1 12 . 1 1 106 106 GLU N N 106 117.537 117.537 119.446 -1.909 18443 8136 1 12 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.101 0.028 18443 8137 1 12 . 1 1 106 106 GLU C C 106 178.041 178.041 178.849 -0.808 18443 8138 1 12 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.955 -0.162 18443 8139 1 12 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.485 0.749 18443 8140 1 12 . 1 1 106 106 GLU H H 106 7.201 7.201 7.635 -0.434 18443 8141 1 12 . 1 1 107 107 PHE N N 107 120.721 120.721 121.766 -1.045 18443 8142 1 12 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.141 0.043 18443 8143 1 12 . 1 1 107 107 PHE C C 107 177.235 177.235 177.431 -0.196 18443 8144 1 12 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.816 -0.073 18443 8145 1 12 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.162 0.921 18443 8146 1 12 . 1 1 107 107 PHE H H 107 8.555 8.555 8.546 0.009 18443 8147 1 12 . 1 1 108 108 LEU N N 108 117.219 117.219 118.000 -0.781 18443 8148 1 12 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.740 0.091 18443 8149 1 12 . 1 1 108 108 LEU C C 108 178.406 178.406 178.795 -0.389 18443 8150 1 12 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.354 1.130 18443 8151 1 12 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.260 0.892 18443 8152 1 12 . 1 1 108 108 LEU H H 108 8.364 8.364 8.854 -0.490 18443 8153 1 12 . 1 1 109 109 LYS N N 109 118.680 118.680 120.911 -2.231 18443 8154 1 12 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.849 0.052 18443 8155 1 12 . 1 1 109 109 LYS C C 109 179.696 179.696 178.783 0.913 18443 8156 1 12 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.974 0.208 18443 8157 1 12 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.191 0.075 18443 8158 1 12 . 1 1 109 109 LYS H H 109 7.330 7.330 7.748 -0.418 18443 8159 1 12 . 1 1 110 110 GLU N N 110 119.802 119.802 119.433 0.369 18443 8160 1 12 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.006 -0.045 18443 8161 1 12 . 1 1 110 110 GLU C C 110 179.903 179.903 178.983 0.920 18443 8162 1 12 . 1 1 110 110 GLU CA C 110 59.124 59.124 59.229 -0.105 18443 8163 1 12 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.478 -0.706 18443 8164 1 12 . 1 1 110 110 GLU H H 110 8.077 8.077 7.677 0.400 18443 8165 1 12 . 1 1 111 111 LEU N N 111 120.129 120.129 120.571 -0.442 18443 8166 1 12 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.467 0.065 18443 8167 1 12 . 1 1 111 111 LEU C C 111 179.792 179.792 178.619 1.173 18443 8168 1 12 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.773 -0.339 18443 8169 1 12 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.072 1.655 18443 8170 1 12 . 1 1 111 111 LEU H H 111 8.341 8.341 8.412 -0.071 18443 8171 1 12 . 1 1 112 112 ARG N N 112 118.350 118.350 118.486 -0.136 18443 8172 1 12 . 1 1 112 112 ARG HA H 112 3.896 3.896 4.003 -0.107 18443 8173 1 12 . 1 1 112 112 ARG C C 112 179.446 179.446 178.810 0.636 18443 8174 1 12 . 1 1 112 112 ARG CA C 112 60.323 60.323 59.331 0.992 18443 8175 1 12 . 1 1 112 112 ARG CB C 112 29.878 29.878 30.004 -0.126 18443 8176 1 12 . 1 1 112 112 ARG H H 112 8.166 8.166 8.183 -0.017 18443 8177 1 12 . 1 1 113 113 GLN N N 113 118.358 118.358 118.839 -0.481 18443 8178 1 12 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.093 -0.000 18443 8179 1 12 . 1 1 113 113 GLN C C 113 179.137 179.137 178.534 0.603 18443 8180 1 12 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.394 0.437 18443 8181 1 12 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.190 0.280 18443 8182 1 12 . 1 1 113 113 GLN H H 113 7.842 7.842 7.566 0.276 18443 8183 1 12 . 1 1 114 114 VAL N N 114 120.174 120.174 120.276 -0.102 18443 8184 1 12 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.620 0.031 18443 8185 1 12 . 1 1 114 114 VAL C C 114 177.853 177.853 178.071 -0.218 18443 8186 1 12 . 1 1 114 114 VAL CA C 114 66.063 66.063 65.679 0.384 18443 8187 1 12 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.488 0.751 18443 8188 1 12 . 1 1 114 114 VAL H H 114 7.947 7.947 8.228 -0.281 18443 8189 1 12 . 1 1 115 115 CYS N N 115 117.549 117.549 117.861 -0.312 18443 8190 1 12 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.239 -0.159 18443 8191 1 12 . 1 1 115 115 CYS C C 115 177.204 177.204 177.151 0.053 18443 8192 1 12 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.511 0.063 18443 8193 1 12 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.796 -0.039 18443 8194 1 12 . 1 1 115 115 CYS H H 115 7.801 7.801 8.003 -0.202 18443 8195 1 12 . 1 1 116 116 VAL N N 116 119.053 119.053 120.273 -1.220 18443 8196 1 12 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.658 0.195 18443 8197 1 12 . 1 1 116 116 VAL C C 116 178.840 178.840 177.830 1.010 18443 8198 1 12 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.475 -1.033 18443 8199 1 12 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.596 0.312 18443 8200 1 12 . 1 1 116 116 VAL H H 116 7.465 7.465 7.546 -0.081 18443 8201 1 12 . 1 1 117 117 LYS N N 117 121.003 121.003 120.063 0.940 18443 8202 1 12 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.006 0.170 18443 8203 1 12 . 1 1 117 117 LYS C C 117 178.689 178.689 179.761 -1.072 18443 8204 1 12 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.353 -0.798 18443 8205 1 12 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.980 0.737 18443 8206 1 12 . 1 1 117 117 LYS H H 117 7.915 7.915 8.148 -0.233 18443 8207 1 12 . 1 1 118 118 GLY N N 118 106.132 106.132 106.865 -0.733 18443 8208 1 12 . 1 1 118 118 GLY C C 118 174.909 174.909 174.777 0.132 18443 8209 1 12 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.771 -0.807 18443 8210 1 12 . 1 1 118 118 GLY H H 118 8.472 8.472 8.170 0.302 18443 8211 1 12 . 1 1 119 119 GLY N N 119 107.977 107.977 105.864 2.113 18443 8212 1 12 . 1 1 119 119 GLY C C 119 174.631 174.631 173.533 1.098 18443 8213 1 12 . 1 1 119 119 GLY CA C 119 45.966 45.966 43.861 2.105 18443 8214 1 12 . 1 1 119 119 GLY H H 119 7.791 7.791 7.597 0.194 18443 8215 1 12 . 1 1 120 120 ALA N N 120 123.981 123.981 122.187 1.794 18443 8216 1 12 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.601 -0.188 18443 8217 1 12 . 1 1 120 120 ALA C C 120 178.143 178.143 177.556 0.587 18443 8218 1 12 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.215 1.601 18443 8219 1 12 . 1 1 120 120 ALA CB C 120 19.102 19.102 20.281 -1.179 18443 8220 1 12 . 1 1 120 120 ALA H H 120 8.171 8.171 7.723 0.448 18443 8221 1 12 . 1 1 121 121 CYS N N 121 117.342 117.342 120.145 -2.803 18443 8222 1 12 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.255 0.255 18443 8223 1 12 . 1 1 121 121 CYS C C 121 175.318 175.318 175.873 -0.555 18443 8224 1 12 . 1 1 121 121 CYS CA C 121 58.974 58.974 61.805 -2.831 18443 8225 1 12 . 1 1 121 121 CYS CB C 121 28.109 28.109 26.267 1.843 18443 8226 1 12 . 1 1 121 121 CYS H H 121 8.200 8.200 7.900 0.300 18443 8227 1 12 . 1 1 122 122 GLY N N 122 110.351 110.351 115.908 -5.557 18443 8228 1 12 . 1 1 122 122 GLY C C 122 174.299 174.299 174.160 0.139 18443 8229 1 12 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.532 -0.007 18443 8230 1 12 . 1 1 122 122 GLY H H 122 8.367 8.367 8.653 -0.286 18443 8231 1 12 . 1 1 123 123 GLU N N 123 120.589 120.589 121.132 -0.543 18443 8232 1 12 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.614 -0.307 18443 8233 1 12 . 1 1 123 123 GLU C C 123 177.296 177.296 177.180 0.116 18443 8234 1 12 . 1 1 123 123 GLU CA C 123 56.830 56.830 55.516 1.314 18443 8235 1 12 . 1 1 123 123 GLU CB C 123 30.461 30.461 30.571 -0.110 18443 8236 1 12 . 1 1 123 123 GLU H H 123 8.280 8.280 7.372 0.908 18443 8237 1 12 . 1 1 124 124 GLY N N 124 109.521 109.521 107.799 1.722 18443 8238 1 12 . 1 1 124 124 GLY C C 124 174.189 174.189 174.275 -0.086 18443 8239 1 12 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.167 0.373 18443 8240 1 12 . 1 1 124 124 GLY H H 124 8.465 8.465 8.368 0.097 18443 8241 1 12 . 1 1 125 125 HIS N N 125 118.418 118.418 120.587 -2.169 18443 8242 1 12 . 1 1 125 125 HIS CA C 125 55.971 55.971 54.782 1.189 18443 8243 1 12 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.007 0.066 18443 8244 1 12 . 1 1 125 125 HIS H H 125 8.244 8.244 7.922 0.322 18443 8245 1 13 . 1 1 2 2 SER HA H 2 4.050 4.050 4.112 -0.062 18443 8246 1 13 . 1 1 2 2 SER CA C 2 57.351 57.351 58.988 -1.637 18443 8247 1 13 . 1 1 2 2 SER CB C 2 63.259 63.259 63.191 0.068 18443 8248 1 13 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.694 -0.392 18443 8249 1 13 . 1 1 3 3 LEU C C 3 175.706 175.706 176.120 -0.414 18443 8250 1 13 . 1 1 3 3 LEU CA C 3 55.286 55.286 54.032 1.254 18443 8251 1 13 . 1 1 3 3 LEU CB C 3 42.920 42.920 45.582 -2.662 18443 8252 1 13 . 1 1 4 4 ARG N N 4 127.222 127.222 123.958 3.264 18443 8253 1 13 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.405 -0.087 18443 8254 1 13 . 1 1 4 4 ARG C C 4 173.862 173.862 174.842 -0.980 18443 8255 1 13 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.342 0.638 18443 8256 1 13 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.076 2.250 18443 8257 1 13 . 1 1 4 4 ARG H H 4 8.502 8.502 8.540 -0.038 18443 8258 1 13 . 1 1 5 5 TRP N N 5 123.052 123.052 125.956 -2.904 18443 8259 1 13 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.000 0.000 18443 8260 1 13 . 1 1 5 5 TRP C C 5 176.309 176.309 176.185 0.124 18443 8261 1 13 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.807 -1.126 18443 8262 1 13 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.768 1.122 18443 8263 1 13 . 1 1 5 5 TRP H H 5 8.184 8.184 8.247 -0.063 18443 8264 1 13 . 1 1 6 6 TYR N N 6 120.957 120.957 123.667 -2.710 18443 8265 1 13 . 1 1 6 6 TYR HA H 6 4.979 4.979 4.992 -0.013 18443 8266 1 13 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.917 1.267 18443 8267 1 13 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.937 0.400 18443 8268 1 13 . 1 1 6 6 TYR H H 6 8.818 8.818 9.239 -0.421 18443 8269 1 13 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.582 0.328 18443 8270 1 13 . 1 1 7 7 PRO C C 7 177.869 177.869 177.630 0.239 18443 8271 1 13 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.625 -0.047 18443 8272 1 13 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.734 0.211 18443 8273 1 13 . 1 1 8 8 TYR N N 8 122.256 122.256 122.838 -0.582 18443 8274 1 13 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.055 -0.012 18443 8275 1 13 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.383 -0.308 18443 8276 1 13 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.107 0.747 18443 8277 1 13 . 1 1 8 8 TYR H H 8 9.408 9.408 9.204 0.204 18443 8278 1 13 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.151 -0.109 18443 8279 1 13 . 1 1 9 9 PRO C C 9 180.472 180.472 178.945 1.527 18443 8280 1 13 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.151 0.235 18443 8281 1 13 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.243 -0.717 18443 8282 1 13 . 1 1 10 10 GLU N N 10 118.047 118.047 118.404 -0.357 18443 8283 1 13 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.010 0.044 18443 8284 1 13 . 1 1 10 10 GLU C C 10 178.293 178.293 178.601 -0.308 18443 8285 1 13 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.650 -0.620 18443 8286 1 13 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.311 0.998 18443 8287 1 13 . 1 1 10 10 GLU H H 10 7.093 7.093 8.569 -1.476 18443 8288 1 13 . 1 1 11 11 ALA N N 11 121.740 121.740 123.294 -1.554 18443 8289 1 13 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.983 -0.362 18443 8290 1 13 . 1 1 11 11 ALA C C 11 178.890 178.890 179.385 -0.495 18443 8291 1 13 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.565 -1.046 18443 8292 1 13 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.397 0.648 18443 8293 1 13 . 1 1 11 11 ALA H H 11 8.447 8.447 8.621 -0.174 18443 8294 1 13 . 1 1 12 12 LEU N N 12 115.622 115.622 118.301 -2.679 18443 8295 1 13 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.609 -0.158 18443 8296 1 13 . 1 1 12 12 LEU C C 12 179.331 179.331 179.334 -0.003 18443 8297 1 13 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.285 1.238 18443 8298 1 13 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.191 0.253 18443 8299 1 13 . 1 1 12 12 LEU H H 12 7.354 7.354 7.702 -0.348 18443 8300 1 13 . 1 1 13 13 ALA N N 13 120.240 120.240 121.982 -1.742 18443 8301 1 13 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.164 0.011 18443 8302 1 13 . 1 1 13 13 ALA C C 13 181.630 181.630 179.771 1.859 18443 8303 1 13 . 1 1 13 13 ALA CA C 13 55.325 55.325 54.792 0.533 18443 8304 1 13 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.545 -0.390 18443 8305 1 13 . 1 1 13 13 ALA H H 13 7.201 7.201 7.648 -0.447 18443 8306 1 13 . 1 1 14 14 LEU N N 14 120.757 120.757 121.157 -0.400 18443 8307 1 13 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.128 -0.041 18443 8308 1 13 . 1 1 14 14 LEU C C 14 179.635 179.635 179.021 0.614 18443 8309 1 13 . 1 1 14 14 LEU CA C 14 57.688 57.688 58.053 -0.365 18443 8310 1 13 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.700 1.092 18443 8311 1 13 . 1 1 14 14 LEU H H 14 8.202 8.202 8.608 -0.406 18443 8312 1 13 . 1 1 15 15 ALA N N 15 121.483 121.483 120.058 1.425 18443 8313 1 13 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.006 -0.132 18443 8314 1 13 . 1 1 15 15 ALA C C 15 180.839 180.839 179.707 1.132 18443 8315 1 13 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.398 0.850 18443 8316 1 13 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.346 1.290 18443 8317 1 13 . 1 1 15 15 ALA H H 15 8.594 8.594 8.066 0.528 18443 8318 1 13 . 1 1 16 16 GLN N N 16 117.131 117.131 120.309 -3.178 18443 8319 1 13 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.121 -0.152 18443 8320 1 13 . 1 1 16 16 GLN C C 16 178.701 178.701 178.384 0.317 18443 8321 1 13 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.830 0.323 18443 8322 1 13 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.821 0.058 18443 8323 1 13 . 1 1 16 16 GLN H H 16 8.609 8.609 8.175 0.433 18443 8324 1 13 . 1 1 17 17 ALA N N 17 120.088 120.088 120.656 -0.568 18443 8325 1 13 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.203 -0.084 18443 8326 1 13 . 1 1 17 17 ALA C C 17 179.305 179.305 178.306 0.999 18443 8327 1 13 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.978 0.641 18443 8328 1 13 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.771 -0.508 18443 8329 1 13 . 1 1 17 17 ALA H H 17 7.635 7.635 8.425 -0.790 18443 8330 1 13 . 1 1 18 18 HIS N N 18 111.636 111.636 114.077 -2.441 18443 8331 1 13 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.686 0.126 18443 8332 1 13 . 1 1 18 18 HIS C C 18 175.021 175.021 175.550 -0.529 18443 8333 1 13 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.707 -0.170 18443 8334 1 13 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.189 0.022 18443 8335 1 13 . 1 1 18 18 HIS H H 18 7.728 7.728 7.629 0.099 18443 8336 1 13 . 1 1 19 19 GLY N N 19 111.899 111.899 108.634 3.265 18443 8337 1 13 . 1 1 19 19 GLY C C 19 175.071 175.071 174.298 0.773 18443 8338 1 13 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.738 1.917 18443 8339 1 13 . 1 1 19 19 GLY H H 19 7.886 7.886 7.938 -0.052 18443 8340 1 13 . 1 1 20 20 ARG N N 20 118.442 118.442 119.016 -0.574 18443 8341 1 13 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.511 0.100 18443 8342 1 13 . 1 1 20 20 ARG C C 20 174.586 174.586 175.633 -1.047 18443 8343 1 13 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.815 0.697 18443 8344 1 13 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.383 1.892 18443 8345 1 13 . 1 1 20 20 ARG H H 20 8.239 8.239 8.274 -0.035 18443 8346 1 13 . 1 1 21 21 MET N N 21 115.457 115.457 118.008 -2.551 18443 8347 1 13 . 1 1 21 21 MET HA H 21 4.870 4.870 4.748 0.122 18443 8348 1 13 . 1 1 21 21 MET C C 21 175.707 175.707 175.035 0.672 18443 8349 1 13 . 1 1 21 21 MET CA C 21 56.111 56.111 55.027 1.084 18443 8350 1 13 . 1 1 21 21 MET CB C 21 35.717 35.717 35.509 0.208 18443 8351 1 13 . 1 1 21 21 MET H H 21 7.193 7.193 8.613 -1.420 18443 8352 1 13 . 1 1 22 22 VAL N N 22 119.607 119.607 120.475 -0.868 18443 8353 1 13 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.716 0.594 18443 8354 1 13 . 1 1 22 22 VAL C C 22 176.506 176.506 174.789 1.717 18443 8355 1 13 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.603 -1.174 18443 8356 1 13 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.854 2.804 18443 8357 1 13 . 1 1 22 22 VAL H H 22 9.034 9.034 9.272 -0.238 18443 8358 1 13 . 1 1 23 23 MET N N 23 126.309 126.309 128.728 -2.419 18443 8359 1 13 . 1 1 23 23 MET HA H 23 4.878 4.878 4.956 -0.078 18443 8360 1 13 . 1 1 23 23 MET C C 23 173.960 173.960 174.385 -0.425 18443 8361 1 13 . 1 1 23 23 MET CA C 23 54.184 54.184 54.455 -0.271 18443 8362 1 13 . 1 1 23 23 MET CB C 23 36.920 36.920 34.145 2.775 18443 8363 1 13 . 1 1 23 23 MET H H 23 8.704 8.704 9.014 -0.310 18443 8364 1 13 . 1 1 24 24 VAL N N 24 128.959 128.959 129.242 -0.283 18443 8365 1 13 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.934 0.404 18443 8366 1 13 . 1 1 24 24 VAL C C 24 174.245 174.245 173.901 0.344 18443 8367 1 13 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.142 -0.389 18443 8368 1 13 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.526 0.295 18443 8369 1 13 . 1 1 24 24 VAL H H 24 9.908 9.908 9.137 0.771 18443 8370 1 13 . 1 1 25 25 TYR N N 25 129.726 129.726 130.529 -0.803 18443 8371 1 13 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.016 0.211 18443 8372 1 13 . 1 1 25 25 TYR C C 25 173.393 173.393 173.894 -0.501 18443 8373 1 13 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.630 -2.547 18443 8374 1 13 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.970 -0.452 18443 8375 1 13 . 1 1 25 25 TYR H H 25 9.031 9.031 8.725 0.306 18443 8376 1 13 . 1 1 26 26 PHE N N 26 126.719 126.719 127.551 -0.832 18443 8377 1 13 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.726 0.369 18443 8378 1 13 . 1 1 26 26 PHE C C 26 174.151 174.151 174.935 -0.784 18443 8379 1 13 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.776 -0.338 18443 8380 1 13 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.921 0.703 18443 8381 1 13 . 1 1 26 26 PHE H H 26 9.162 9.162 8.818 0.344 18443 8382 1 13 . 1 1 27 27 HIS N N 27 118.311 118.311 119.449 -1.138 18443 8383 1 13 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.042 0.120 18443 8384 1 13 . 1 1 27 27 HIS C C 27 173.044 173.044 173.760 -0.716 18443 8385 1 13 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.319 0.141 18443 8386 1 13 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.036 2.052 18443 8387 1 13 . 1 1 27 27 HIS H H 27 8.168 8.168 8.785 -0.617 18443 8388 1 13 . 1 1 28 28 SER N N 28 112.150 112.150 115.892 -3.742 18443 8389 1 13 . 1 1 28 28 SER HA H 28 4.790 4.790 5.120 -0.330 18443 8390 1 13 . 1 1 28 28 SER C C 28 176.815 176.815 174.752 2.063 18443 8391 1 13 . 1 1 28 28 SER CA C 28 56.260 56.260 56.094 0.166 18443 8392 1 13 . 1 1 28 28 SER CB C 28 65.470 65.470 66.823 -1.353 18443 8393 1 13 . 1 1 28 28 SER H H 28 7.545 7.545 7.822 -0.277 18443 8394 1 13 . 1 1 29 29 GLU N N 29 130.603 130.603 122.071 8.532 18443 8395 1 13 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.190 -0.090 18443 8396 1 13 . 1 1 29 29 GLU C C 29 176.980 176.980 176.253 0.727 18443 8397 1 13 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.397 0.273 18443 8398 1 13 . 1 1 29 29 GLU CB C 29 29.639 29.639 28.787 0.852 18443 8399 1 13 . 1 1 29 29 GLU H H 29 9.681 9.681 8.674 1.007 18443 8400 1 13 . 1 1 30 30 HIS N N 30 114.752 114.752 115.689 -0.937 18443 8401 1 13 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.686 0.008 18443 8402 1 13 . 1 1 30 30 HIS C C 30 173.679 173.679 174.785 -1.106 18443 8403 1 13 . 1 1 30 30 HIS CA C 30 54.393 54.393 54.897 -0.504 18443 8404 1 13 . 1 1 30 30 HIS CB C 30 29.372 29.372 31.062 -1.690 18443 8405 1 13 . 1 1 30 30 HIS H H 30 8.226 8.226 7.738 0.488 18443 8406 1 13 . 1 1 31 31 CYS N N 31 124.685 124.685 121.840 2.845 18443 8407 1 13 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.628 0.318 18443 8408 1 13 . 1 1 31 31 CYS C C 31 175.771 175.771 174.973 0.798 18443 8409 1 13 . 1 1 31 31 CYS CA C 31 56.116 56.116 55.975 0.141 18443 8410 1 13 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.902 3.513 18443 8411 1 13 . 1 1 31 31 CYS H H 31 7.091 7.091 7.766 -0.675 18443 8412 1 13 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.409 -0.075 18443 8413 1 13 . 1 1 32 32 PRO C C 32 179.352 179.352 178.244 1.108 18443 8414 1 13 . 1 1 32 32 PRO CA C 32 64.193 64.193 64.469 -0.276 18443 8415 1 13 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.143 -0.071 18443 8416 1 13 . 1 1 33 33 TYR N N 33 125.092 125.092 119.012 6.080 18443 8417 1 13 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.337 0.158 18443 8418 1 13 . 1 1 33 33 TYR C C 33 179.457 179.457 177.559 1.898 18443 8419 1 13 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.951 -0.071 18443 8420 1 13 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.127 0.218 18443 8421 1 13 . 1 1 33 33 TYR H H 33 8.621 8.621 8.709 -0.088 18443 8422 1 13 . 1 1 34 34 CYS N N 34 127.272 127.272 118.173 9.099 18443 8423 1 13 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.269 0.066 18443 8424 1 13 . 1 1 34 34 CYS C C 34 176.672 176.672 176.469 0.203 18443 8425 1 13 . 1 1 34 34 CYS CA C 34 64.159 64.159 61.479 2.680 18443 8426 1 13 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.428 1.449 18443 8427 1 13 . 1 1 34 34 CYS H H 34 9.440 9.440 8.608 0.832 18443 8428 1 13 . 1 1 35 35 GLN N N 35 118.373 118.373 118.965 -0.592 18443 8429 1 13 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.908 0.151 18443 8430 1 13 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.877 0.497 18443 8431 1 13 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.700 -0.124 18443 8432 1 13 . 1 1 35 35 GLN H H 35 7.866 7.866 8.036 -0.170 18443 8433 1 13 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.161 0.085 18443 8434 1 13 . 1 1 36 36 GLN C C 36 178.881 178.881 178.467 0.414 18443 8435 1 13 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.674 0.952 18443 8436 1 13 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.479 0.126 18443 8437 1 13 . 1 1 37 37 MET N N 37 117.759 117.759 117.717 0.042 18443 8438 1 13 . 1 1 37 37 MET HA H 37 4.488 4.488 4.187 0.301 18443 8439 1 13 . 1 1 37 37 MET C C 37 179.838 179.838 178.413 1.425 18443 8440 1 13 . 1 1 37 37 MET CA C 37 57.229 57.229 59.438 -2.209 18443 8441 1 13 . 1 1 37 37 MET CB C 37 29.983 29.983 32.385 -2.402 18443 8442 1 13 . 1 1 37 37 MET H H 37 8.125 8.125 8.330 -0.205 18443 8443 1 13 . 1 1 38 38 ASN N N 38 122.249 122.249 117.876 4.373 18443 8444 1 13 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.372 -0.010 18443 8445 1 13 . 1 1 38 38 ASN C C 38 177.355 177.355 175.771 1.584 18443 8446 1 13 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.357 0.078 18443 8447 1 13 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.482 -0.970 18443 8448 1 13 . 1 1 38 38 ASN H H 38 9.245 9.245 8.676 0.569 18443 8449 1 13 . 1 1 39 39 THR N N 39 113.554 113.554 112.371 1.183 18443 8450 1 13 . 1 1 39 39 THR HA H 39 3.853 3.853 3.907 -0.054 18443 8451 1 13 . 1 1 39 39 THR C C 39 176.277 176.277 174.702 1.575 18443 8452 1 13 . 1 1 39 39 THR CA C 39 65.843 65.843 64.491 1.352 18443 8453 1 13 . 1 1 39 39 THR CB C 39 69.595 69.595 68.872 0.723 18443 8454 1 13 . 1 1 39 39 THR H H 39 8.034 8.034 7.144 0.890 18443 8455 1 13 . 1 1 40 40 PHE N N 40 116.394 116.394 118.458 -2.064 18443 8456 1 13 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.548 0.272 18443 8457 1 13 . 1 1 40 40 PHE C C 40 176.255 176.255 176.979 -0.724 18443 8458 1 13 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.986 -1.272 18443 8459 1 13 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.966 1.919 18443 8460 1 13 . 1 1 40 40 PHE H H 40 8.309 8.309 8.055 0.254 18443 8461 1 13 . 1 1 41 41 VAL N N 41 117.246 117.246 118.657 -1.411 18443 8462 1 13 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.680 0.626 18443 8463 1 13 . 1 1 41 41 VAL C C 41 176.704 176.704 178.113 -1.409 18443 8464 1 13 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.215 -0.376 18443 8465 1 13 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.900 1.739 18443 8466 1 13 . 1 1 41 41 VAL H H 41 7.678 7.678 7.755 -0.077 18443 8467 1 13 . 1 1 42 42 LEU N N 42 117.179 117.179 117.815 -0.636 18443 8468 1 13 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.133 -0.185 18443 8469 1 13 . 1 1 42 42 LEU C C 42 175.837 175.837 177.469 -1.632 18443 8470 1 13 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.388 0.908 18443 8471 1 13 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.610 -1.495 18443 8472 1 13 . 1 1 42 42 LEU H H 42 8.882 8.882 8.442 0.440 18443 8473 1 13 . 1 1 43 43 SER N N 43 105.494 105.494 111.487 -5.993 18443 8474 1 13 . 1 1 43 43 SER HA H 43 4.408 4.408 4.438 -0.030 18443 8475 1 13 . 1 1 43 43 SER C C 43 175.397 175.397 174.882 0.515 18443 8476 1 13 . 1 1 43 43 SER CA C 43 57.144 57.144 58.367 -1.223 18443 8477 1 13 . 1 1 43 43 SER CB C 43 64.117 64.117 63.077 1.040 18443 8478 1 13 . 1 1 43 43 SER H H 43 6.785 6.785 7.482 -0.697 18443 8479 1 13 . 1 1 44 44 ASP N N 44 126.617 126.617 124.306 2.311 18443 8480 1 13 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.658 0.153 18443 8481 1 13 . 1 1 44 44 ASP C C 44 175.644 175.644 175.572 0.072 18443 8482 1 13 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.900 -1.227 18443 8483 1 13 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.460 1.213 18443 8484 1 13 . 1 1 44 44 ASP H H 44 7.443 7.443 7.530 -0.088 18443 8485 1 13 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.464 -0.112 18443 8486 1 13 . 1 1 45 45 PRO C C 45 178.792 178.792 178.109 0.683 18443 8487 1 13 . 1 1 45 45 PRO CA C 45 65.759 65.759 64.594 1.165 18443 8488 1 13 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.075 0.264 18443 8489 1 13 . 1 1 46 46 GLY N N 46 107.270 107.270 106.319 0.951 18443 8490 1 13 . 1 1 46 46 GLY C C 46 176.799 176.799 175.798 1.001 18443 8491 1 13 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.565 0.463 18443 8492 1 13 . 1 1 46 46 GLY H H 46 8.161 8.161 9.083 -0.922 18443 8493 1 13 . 1 1 47 47 VAL N N 47 124.473 124.473 121.992 2.481 18443 8494 1 13 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.703 -0.108 18443 8495 1 13 . 1 1 47 47 VAL C C 47 177.886 177.886 177.490 0.396 18443 8496 1 13 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.519 0.981 18443 8497 1 13 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.881 0.544 18443 8498 1 13 . 1 1 47 47 VAL H H 47 8.344 8.344 7.406 0.938 18443 8499 1 13 . 1 1 48 48 SER N N 48 113.807 113.807 115.934 -2.127 18443 8500 1 13 . 1 1 48 48 SER HA H 48 4.053 4.053 4.094 -0.041 18443 8501 1 13 . 1 1 48 48 SER C C 48 176.889 176.889 176.134 0.755 18443 8502 1 13 . 1 1 48 48 SER CA C 48 62.777 62.777 61.957 0.820 18443 8503 1 13 . 1 1 48 48 SER CB C 48 62.884 62.884 63.087 -0.203 18443 8504 1 13 . 1 1 48 48 SER H H 48 9.023 9.023 8.783 0.240 18443 8505 1 13 . 1 1 49 49 ARG N N 49 119.875 119.875 121.539 -1.664 18443 8506 1 13 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.042 0.122 18443 8507 1 13 . 1 1 49 49 ARG C C 49 179.398 179.398 178.637 0.761 18443 8508 1 13 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.214 0.344 18443 8509 1 13 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.031 0.216 18443 8510 1 13 . 1 1 49 49 ARG H H 49 8.081 8.081 7.623 0.458 18443 8511 1 13 . 1 1 50 50 LEU N N 50 121.717 121.717 119.183 2.534 18443 8512 1 13 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.089 0.290 18443 8513 1 13 . 1 1 50 50 LEU C C 50 179.482 179.482 178.177 1.305 18443 8514 1 13 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.323 0.883 18443 8515 1 13 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.973 -0.138 18443 8516 1 13 . 1 1 50 50 LEU H H 50 7.291 7.291 7.721 -0.430 18443 8517 1 13 . 1 1 51 51 LEU N N 51 118.677 118.677 116.952 1.725 18443 8518 1 13 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.244 0.046 18443 8519 1 13 . 1 1 51 51 LEU C C 51 179.233 179.233 179.463 -0.230 18443 8520 1 13 . 1 1 51 51 LEU CA C 51 58.343 58.343 56.693 1.650 18443 8521 1 13 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.734 1.652 18443 8522 1 13 . 1 1 51 51 LEU H H 51 8.358 8.358 7.401 0.957 18443 8523 1 13 . 1 1 52 52 GLU N N 52 116.437 116.437 118.806 -2.369 18443 8524 1 13 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.954 0.214 18443 8525 1 13 . 1 1 52 52 GLU C C 52 178.898 178.898 178.769 0.129 18443 8526 1 13 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.302 -0.309 18443 8527 1 13 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.277 0.928 18443 8528 1 13 . 1 1 52 52 GLU H H 52 8.715 8.715 8.833 -0.118 18443 8529 1 13 . 1 1 53 53 ALA N N 53 119.092 119.092 119.337 -0.245 18443 8530 1 13 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.191 0.236 18443 8531 1 13 . 1 1 53 53 ALA C C 53 180.298 180.298 178.238 2.060 18443 8532 1 13 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.615 -0.052 18443 8533 1 13 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.483 0.735 18443 8534 1 13 . 1 1 53 53 ALA H H 53 7.782 7.782 7.695 0.087 18443 8535 1 13 . 1 1 54 54 ARG N N 54 111.562 111.562 113.219 -1.657 18443 8536 1 13 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.473 0.182 18443 8537 1 13 . 1 1 54 54 ARG C C 54 175.560 175.560 174.334 1.226 18443 8538 1 13 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.097 -0.066 18443 8539 1 13 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.252 3.085 18443 8540 1 13 . 1 1 54 54 ARG H H 54 7.740 7.740 7.797 -0.057 18443 8541 1 13 . 1 1 55 55 PHE N N 55 117.038 117.038 120.590 -3.552 18443 8542 1 13 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.596 0.066 18443 8543 1 13 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.043 -0.215 18443 8544 1 13 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.504 -0.222 18443 8545 1 13 . 1 1 55 55 PHE H H 55 8.555 8.555 8.496 0.059 18443 8546 1 13 . 1 1 56 56 VAL N N 56 121.038 121.038 122.898 -1.860 18443 8547 1 13 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.371 -0.046 18443 8548 1 13 . 1 1 56 56 VAL C C 56 175.305 175.305 174.880 0.425 18443 8549 1 13 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.370 1.576 18443 8550 1 13 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.606 0.899 18443 8551 1 13 . 1 1 56 56 VAL H H 56 8.817 8.817 9.448 -0.631 18443 8552 1 13 . 1 1 57 57 VAL N N 57 125.781 125.781 128.232 -2.451 18443 8553 1 13 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.272 0.704 18443 8554 1 13 . 1 1 57 57 VAL C C 57 174.535 174.535 174.725 -0.190 18443 8555 1 13 . 1 1 57 57 VAL CA C 57 61.390 61.390 60.696 0.694 18443 8556 1 13 . 1 1 57 57 VAL CB C 57 32.936 32.936 30.954 1.982 18443 8557 1 13 . 1 1 57 57 VAL H H 57 9.498 9.498 8.144 1.354 18443 8558 1 13 . 1 1 58 58 ALA N N 58 128.137 128.137 131.390 -3.253 18443 8559 1 13 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.536 0.085 18443 8560 1 13 . 1 1 58 58 ALA C C 58 175.953 175.953 177.445 -1.492 18443 8561 1 13 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.895 -1.131 18443 8562 1 13 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.420 1.295 18443 8563 1 13 . 1 1 58 58 ALA H H 58 9.062 9.062 9.169 -0.107 18443 8564 1 13 . 1 1 59 59 SER N N 59 117.343 117.343 122.222 -4.879 18443 8565 1 13 . 1 1 59 59 SER HA H 59 4.693 4.693 4.973 -0.280 18443 8566 1 13 . 1 1 59 59 SER C C 59 174.092 174.092 174.044 0.048 18443 8567 1 13 . 1 1 59 59 SER CA C 59 56.135 56.135 58.136 -2.001 18443 8568 1 13 . 1 1 59 59 SER CB C 59 63.731 63.731 63.356 0.375 18443 8569 1 13 . 1 1 59 59 SER H H 59 8.676 8.676 8.990 -0.314 18443 8570 1 13 . 1 1 60 60 VAL N N 60 129.829 129.829 127.798 2.031 18443 8571 1 13 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.283 -0.354 18443 8572 1 13 . 1 1 60 60 VAL C C 60 172.999 172.999 174.372 -1.373 18443 8573 1 13 . 1 1 60 60 VAL CA C 60 61.522 61.522 60.574 0.948 18443 8574 1 13 . 1 1 60 60 VAL CB C 60 33.335 33.335 31.683 1.652 18443 8575 1 13 . 1 1 60 60 VAL H H 60 8.716 8.716 8.343 0.373 18443 8576 1 13 . 1 1 61 61 SER N N 61 119.457 119.457 124.417 -4.960 18443 8577 1 13 . 1 1 61 61 SER HA H 61 4.211 4.211 3.948 0.263 18443 8578 1 13 . 1 1 61 61 SER C C 61 178.511 178.511 175.585 2.926 18443 8579 1 13 . 1 1 61 61 SER CA C 61 55.404 55.404 57.619 -2.215 18443 8580 1 13 . 1 1 61 61 SER CB C 61 63.080 63.080 63.323 -0.243 18443 8581 1 13 . 1 1 61 61 SER H H 61 8.250 8.250 8.764 -0.514 18443 8582 1 13 . 1 1 62 62 VAL N N 62 123.331 123.331 125.902 -2.571 18443 8583 1 13 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.922 0.119 18443 8584 1 13 . 1 1 62 62 VAL C C 62 174.434 174.434 176.408 -1.974 18443 8585 1 13 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.310 -1.533 18443 8586 1 13 . 1 1 62 62 VAL CB C 62 29.867 29.867 30.395 -0.528 18443 8587 1 13 . 1 1 62 62 VAL H H 62 8.954 8.954 8.746 0.208 18443 8588 1 13 . 1 1 63 63 ASP N N 63 119.953 119.953 117.217 2.736 18443 8589 1 13 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.427 0.292 18443 8590 1 13 . 1 1 63 63 ASP C C 63 175.930 175.930 176.660 -0.730 18443 8591 1 13 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.705 -0.775 18443 8592 1 13 . 1 1 63 63 ASP CB C 63 41.218 41.218 40.953 0.265 18443 8593 1 13 . 1 1 63 63 ASP H H 63 7.966 7.966 8.202 -0.236 18443 8594 1 13 . 1 1 64 64 THR N N 64 108.822 108.822 111.572 -2.750 18443 8595 1 13 . 1 1 64 64 THR HA H 64 4.963 4.963 4.840 0.123 18443 8596 1 13 . 1 1 64 64 THR C C 64 173.012 173.012 174.325 -1.313 18443 8597 1 13 . 1 1 64 64 THR CA C 64 58.176 58.176 58.660 -0.484 18443 8598 1 13 . 1 1 64 64 THR CB C 64 70.326 70.326 70.636 -0.310 18443 8599 1 13 . 1 1 64 64 THR H H 64 7.315 7.315 7.338 -0.023 18443 8600 1 13 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.083 0.205 18443 8601 1 13 . 1 1 65 65 PRO C C 65 180.307 180.307 178.698 1.609 18443 8602 1 13 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.130 -0.289 18443 8603 1 13 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.348 0.613 18443 8604 1 13 . 1 1 66 66 GLU N N 66 118.398 118.398 117.632 0.766 18443 8605 1 13 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.129 0.032 18443 8606 1 13 . 1 1 66 66 GLU C C 66 179.940 179.940 178.763 1.177 18443 8607 1 13 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.818 0.121 18443 8608 1 13 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.870 1.001 18443 8609 1 13 . 1 1 66 66 GLU H H 66 9.304 9.304 8.856 0.448 18443 8610 1 13 . 1 1 67 67 GLY N N 67 110.592 110.592 108.488 2.104 18443 8611 1 13 . 1 1 67 67 GLY C C 67 176.529 176.529 176.412 0.117 18443 8612 1 13 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.318 0.546 18443 8613 1 13 . 1 1 67 67 GLY H H 67 8.172 8.172 8.123 0.049 18443 8614 1 13 . 1 1 68 68 GLN N N 68 121.948 121.948 121.917 0.031 18443 8615 1 13 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.940 0.073 18443 8616 1 13 . 1 1 68 68 GLN C C 68 179.366 179.366 178.482 0.884 18443 8617 1 13 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.911 0.280 18443 8618 1 13 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.717 -0.783 18443 8619 1 13 . 1 1 68 68 GLN H H 68 8.504 8.504 8.725 -0.221 18443 8620 1 13 . 1 1 69 69 GLU N N 69 120.280 120.280 120.558 -0.278 18443 8621 1 13 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.097 0.073 18443 8622 1 13 . 1 1 69 69 GLU C C 69 179.360 179.360 178.919 0.441 18443 8623 1 13 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.938 0.552 18443 8624 1 13 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.220 -0.289 18443 8625 1 13 . 1 1 69 69 GLU H H 69 7.815 7.815 8.288 -0.473 18443 8626 1 13 . 1 1 70 70 LEU N N 70 121.041 121.041 120.000 1.041 18443 8627 1 13 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.104 0.012 18443 8628 1 13 . 1 1 70 70 LEU C C 70 178.961 178.961 179.073 -0.112 18443 8629 1 13 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.631 0.562 18443 8630 1 13 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.654 1.073 18443 8631 1 13 . 1 1 70 70 LEU H H 70 7.758 7.758 7.998 -0.240 18443 8632 1 13 . 1 1 71 71 ALA N N 71 122.094 122.094 122.111 -0.017 18443 8633 1 13 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.947 -0.374 18443 8634 1 13 . 1 1 71 71 ALA C C 71 179.966 179.966 179.212 0.754 18443 8635 1 13 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.465 -0.427 18443 8636 1 13 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.226 -0.807 18443 8637 1 13 . 1 1 71 71 ALA H H 71 8.745 8.745 8.646 0.099 18443 8638 1 13 . 1 1 72 72 ARG N N 72 118.463 118.463 117.134 1.329 18443 8639 1 13 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.188 -0.067 18443 8640 1 13 . 1 1 72 72 ARG C C 72 180.905 180.905 177.914 2.991 18443 8641 1 13 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.710 0.814 18443 8642 1 13 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.988 0.315 18443 8643 1 13 . 1 1 72 72 ARG H H 72 7.862 7.862 7.959 -0.097 18443 8644 1 13 . 1 1 73 73 ARG N N 73 122.223 122.223 120.862 1.361 18443 8645 1 13 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.090 -0.132 18443 8646 1 13 . 1 1 73 73 ARG C C 73 178.562 178.562 177.517 1.045 18443 8647 1 13 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.526 1.012 18443 8648 1 13 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.254 -0.063 18443 8649 1 13 . 1 1 73 73 ARG H H 73 8.189 8.189 7.931 0.258 18443 8650 1 13 . 1 1 74 74 TYR N N 74 114.319 114.319 115.258 -0.939 18443 8651 1 13 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.415 -0.014 18443 8652 1 13 . 1 1 74 74 TYR C C 74 174.321 174.321 175.299 -0.978 18443 8653 1 13 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.299 0.485 18443 8654 1 13 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.156 0.108 18443 8655 1 13 . 1 1 74 74 TYR H H 74 8.047 8.047 8.415 -0.368 18443 8656 1 13 . 1 1 75 75 ARG N N 75 119.572 119.572 118.588 0.984 18443 8657 1 13 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.936 -0.067 18443 8658 1 13 . 1 1 75 75 ARG C C 75 175.880 175.880 173.872 2.008 18443 8659 1 13 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.778 0.062 18443 8660 1 13 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.757 -1.249 18443 8661 1 13 . 1 1 75 75 ARG H H 75 7.865 7.865 7.559 0.306 18443 8662 1 13 . 1 1 76 76 VAL N N 76 119.885 119.885 121.449 -1.564 18443 8663 1 13 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.217 -0.426 18443 8664 1 13 . 1 1 76 76 VAL C C 76 176.374 176.374 173.501 2.873 18443 8665 1 13 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.457 1.299 18443 8666 1 13 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.748 -0.835 18443 8667 1 13 . 1 1 76 76 VAL H H 76 8.024 8.024 8.298 -0.274 18443 8668 1 13 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.669 -0.272 18443 8669 1 13 . 1 1 77 77 PRO C C 77 175.829 175.829 176.501 -0.672 18443 8670 1 13 . 1 1 77 77 PRO CA C 77 63.462 63.462 61.913 1.549 18443 8671 1 13 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.028 -0.271 18443 8672 1 13 . 1 1 78 78 GLY N N 78 105.453 105.453 111.380 -5.927 18443 8673 1 13 . 1 1 78 78 GLY C C 78 171.794 171.794 173.173 -1.379 18443 8674 1 13 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.125 -0.516 18443 8675 1 13 . 1 1 78 78 GLY H H 78 6.725 6.725 8.419 -1.694 18443 8676 1 13 . 1 1 79 79 THR N N 79 110.056 110.056 115.630 -5.574 18443 8677 1 13 . 1 1 79 79 THR HA H 79 4.886 4.886 4.066 0.820 18443 8678 1 13 . 1 1 79 79 THR CA C 79 57.957 57.957 62.117 -4.160 18443 8679 1 13 . 1 1 79 79 THR CB C 79 70.685 70.685 68.575 2.110 18443 8680 1 13 . 1 1 79 79 THR H H 79 8.771 8.771 8.232 0.539 18443 8681 1 13 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.424 0.655 18443 8682 1 13 . 1 1 80 80 PRO C C 80 176.536 176.536 175.998 0.538 18443 8683 1 13 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.488 0.071 18443 8684 1 13 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.496 3.175 18443 8685 1 13 . 1 1 81 81 THR N N 81 116.755 116.755 115.898 0.857 18443 8686 1 13 . 1 1 81 81 THR HA H 81 5.425 5.425 5.185 0.240 18443 8687 1 13 . 1 1 81 81 THR C C 81 171.960 171.960 172.905 -0.945 18443 8688 1 13 . 1 1 81 81 THR CA C 81 63.540 63.540 61.459 2.081 18443 8689 1 13 . 1 1 81 81 THR CB C 81 71.840 71.840 72.038 -0.198 18443 8690 1 13 . 1 1 81 81 THR H H 81 8.176 8.176 7.591 0.585 18443 8691 1 13 . 1 1 82 82 PHE N N 82 126.263 126.263 126.308 -0.045 18443 8692 1 13 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.135 0.501 18443 8693 1 13 . 1 1 82 82 PHE C C 82 174.738 174.738 174.691 0.047 18443 8694 1 13 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.146 -0.376 18443 8695 1 13 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.299 0.981 18443 8696 1 13 . 1 1 82 82 PHE H H 82 9.540 9.540 9.316 0.224 18443 8697 1 13 . 1 1 83 83 VAL N N 83 123.703 123.703 123.166 0.537 18443 8698 1 13 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.719 -0.178 18443 8699 1 13 . 1 1 83 83 VAL C C 83 174.159 174.159 174.552 -0.393 18443 8700 1 13 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.103 0.926 18443 8701 1 13 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.657 1.450 18443 8702 1 13 . 1 1 83 83 VAL H H 83 9.208 9.208 8.925 0.283 18443 8703 1 13 . 1 1 84 84 PHE N N 84 126.003 126.003 127.092 -1.089 18443 8704 1 13 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.444 0.366 18443 8705 1 13 . 1 1 84 84 PHE C C 84 175.481 175.481 175.016 0.465 18443 8706 1 13 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.440 0.813 18443 8707 1 13 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.687 1.125 18443 8708 1 13 . 1 1 84 84 PHE H H 84 8.878 8.878 8.639 0.239 18443 8709 1 13 . 1 1 85 85 LEU N N 85 123.597 123.597 123.395 0.202 18443 8710 1 13 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.728 0.166 18443 8711 1 13 . 1 1 85 85 LEU C C 85 176.528 176.528 176.307 0.221 18443 8712 1 13 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.475 -0.105 18443 8713 1 13 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.768 3.431 18443 8714 1 13 . 1 1 85 85 LEU H H 85 9.604 9.604 9.386 0.218 18443 8715 1 13 . 1 1 86 86 VAL N N 86 118.274 118.274 122.763 -4.489 18443 8716 1 13 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.713 0.505 18443 8717 1 13 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.212 -1.651 18443 8718 1 13 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.965 1.528 18443 8719 1 13 . 1 1 86 86 VAL H H 86 9.457 9.457 8.947 0.510 18443 8720 1 13 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.339 -0.391 18443 8721 1 13 . 1 1 87 87 PRO C C 87 177.132 177.132 175.705 1.427 18443 8722 1 13 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.782 0.581 18443 8723 1 13 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.796 -0.138 18443 8724 1 13 . 1 1 88 88 LYS N N 88 124.554 124.554 122.836 1.718 18443 8725 1 13 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.281 -0.002 18443 8726 1 13 . 1 1 88 88 LYS C C 88 175.739 175.739 175.393 0.346 18443 8727 1 13 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.721 -0.071 18443 8728 1 13 . 1 1 88 88 LYS CB C 88 34.698 34.698 33.867 0.832 18443 8729 1 13 . 1 1 88 88 LYS H H 88 8.119 8.119 8.696 -0.577 18443 8730 1 13 . 1 1 89 89 ALA N N 89 130.786 130.786 123.774 7.012 18443 8731 1 13 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.989 -0.019 18443 8732 1 13 . 1 1 89 89 ALA C C 89 176.947 176.947 177.682 -0.735 18443 8733 1 13 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.469 -0.279 18443 8734 1 13 . 1 1 89 89 ALA CB C 89 17.379 17.379 16.846 0.533 18443 8735 1 13 . 1 1 89 89 ALA H H 89 9.128 9.128 8.996 0.132 18443 8736 1 13 . 1 1 90 90 GLY N N 90 106.698 106.698 103.548 3.150 18443 8737 1 13 . 1 1 90 90 GLY C C 90 173.352 173.352 173.893 -0.541 18443 8738 1 13 . 1 1 90 90 GLY CA C 90 45.586 45.586 44.655 0.931 18443 8739 1 13 . 1 1 90 90 GLY H H 90 8.393 8.393 8.246 0.147 18443 8740 1 13 . 1 1 91 91 ALA N N 91 125.038 125.038 122.288 2.750 18443 8741 1 13 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.661 -0.084 18443 8742 1 13 . 1 1 91 91 ALA C C 91 175.940 175.940 174.762 1.178 18443 8743 1 13 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.427 0.035 18443 8744 1 13 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.834 -0.181 18443 8745 1 13 . 1 1 91 91 ALA H H 91 7.788 7.788 7.304 0.484 18443 8746 1 13 . 1 1 92 92 TRP N N 92 120.760 120.760 118.548 2.212 18443 8747 1 13 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.604 -0.464 18443 8748 1 13 . 1 1 92 92 TRP C C 92 175.960 175.960 176.551 -0.591 18443 8749 1 13 . 1 1 92 92 TRP CA C 92 56.851 56.851 55.829 1.022 18443 8750 1 13 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.372 1.301 18443 8751 1 13 . 1 1 92 92 TRP H H 92 8.235 8.235 8.372 -0.137 18443 8752 1 13 . 1 1 93 93 GLU N N 93 124.341 124.341 124.323 0.018 18443 8753 1 13 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.638 0.223 18443 8754 1 13 . 1 1 93 93 GLU C C 93 175.515 175.515 175.860 -0.345 18443 8755 1 13 . 1 1 93 93 GLU CA C 93 54.779 54.779 55.120 -0.341 18443 8756 1 13 . 1 1 93 93 GLU CB C 93 33.192 33.192 32.146 1.046 18443 8757 1 13 . 1 1 93 93 GLU H H 93 9.264 9.264 9.061 0.203 18443 8758 1 13 . 1 1 94 94 GLU N N 94 126.987 126.987 129.771 -2.784 18443 8759 1 13 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.638 0.559 18443 8760 1 13 . 1 1 94 94 GLU C C 94 177.604 177.604 177.293 0.311 18443 8761 1 13 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.288 0.316 18443 8762 1 13 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.320 0.758 18443 8763 1 13 . 1 1 94 94 GLU H H 94 9.123 9.123 9.144 -0.021 18443 8764 1 13 . 1 1 95 95 VAL N N 95 122.004 122.004 121.226 0.778 18443 8765 1 13 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.187 0.505 18443 8766 1 13 . 1 1 95 95 VAL C C 95 175.719 175.719 176.138 -0.419 18443 8767 1 13 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.514 -1.179 18443 8768 1 13 . 1 1 95 95 VAL CB C 95 33.265 33.265 31.930 1.335 18443 8769 1 13 . 1 1 95 95 VAL H H 95 9.099 9.099 8.845 0.254 18443 8770 1 13 . 1 1 96 96 GLY N N 96 107.961 107.961 108.719 -0.758 18443 8771 1 13 . 1 1 96 96 GLY C C 96 171.052 171.052 171.752 -0.700 18443 8772 1 13 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.323 0.789 18443 8773 1 13 . 1 1 96 96 GLY H H 96 7.754 7.754 7.497 0.257 18443 8774 1 13 . 1 1 97 97 ARG N N 97 117.467 117.467 123.089 -5.622 18443 8775 1 13 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.609 0.068 18443 8776 1 13 . 1 1 97 97 ARG C C 97 174.403 174.403 175.213 -0.810 18443 8777 1 13 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.372 1.254 18443 8778 1 13 . 1 1 97 97 ARG CB C 97 34.313 34.313 32.343 1.970 18443 8779 1 13 . 1 1 97 97 ARG H H 97 8.489 8.489 8.465 0.024 18443 8780 1 13 . 1 1 98 98 LEU N N 98 122.922 122.922 125.801 -2.879 18443 8781 1 13 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.914 0.011 18443 8782 1 13 . 1 1 98 98 LEU C C 98 174.871 174.871 175.377 -0.506 18443 8783 1 13 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.152 -0.181 18443 8784 1 13 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.933 1.609 18443 8785 1 13 . 1 1 98 98 LEU H H 98 9.504 9.504 9.226 0.278 18443 8786 1 13 . 1 1 99 99 PHE N N 99 124.212 124.212 124.671 -0.459 18443 8787 1 13 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.495 0.153 18443 8788 1 13 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.854 -1.103 18443 8789 1 13 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.384 -0.152 18443 8790 1 13 . 1 1 99 99 PHE H H 99 9.146 9.146 8.797 0.349 18443 8791 1 13 . 1 1 100 100 GLY N N 100 116.438 116.438 114.707 1.731 18443 8792 1 13 . 1 1 100 100 GLY C C 100 173.343 173.343 171.945 1.398 18443 8793 1 13 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.334 -0.898 18443 8794 1 13 . 1 1 100 100 GLY H H 100 8.464 8.464 7.707 0.757 18443 8795 1 13 . 1 1 101 101 SER N N 101 112.597 112.597 116.728 -4.131 18443 8796 1 13 . 1 1 101 101 SER HA H 101 4.616 4.616 4.764 -0.148 18443 8797 1 13 . 1 1 101 101 SER C C 101 175.075 175.075 173.882 1.193 18443 8798 1 13 . 1 1 101 101 SER CA C 101 58.288 58.288 57.058 1.230 18443 8799 1 13 . 1 1 101 101 SER CB C 101 64.305 64.305 63.817 0.488 18443 8800 1 13 . 1 1 101 101 SER H H 101 8.366 8.366 8.248 0.118 18443 8801 1 13 . 1 1 102 102 ARG N N 102 119.662 119.662 125.689 -6.027 18443 8802 1 13 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.718 0.213 18443 8803 1 13 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.178 0.642 18443 8804 1 13 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.800 1.642 18443 8805 1 13 . 1 1 102 102 ARG H H 102 7.767 7.767 8.323 -0.556 18443 8806 1 13 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.622 -0.071 18443 8807 1 13 . 1 1 103 103 PRO C C 103 177.345 177.345 177.945 -0.600 18443 8808 1 13 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.238 -0.162 18443 8809 1 13 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.943 -0.075 18443 8810 1 13 . 1 1 104 104 ARG N N 104 121.205 121.205 122.479 -1.274 18443 8811 1 13 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.898 0.034 18443 8812 1 13 . 1 1 104 104 ARG C C 104 177.368 177.368 178.185 -0.817 18443 8813 1 13 . 1 1 104 104 ARG CA C 104 60.911 60.911 60.089 0.822 18443 8814 1 13 . 1 1 104 104 ARG CB C 104 30.164 30.164 30.027 0.137 18443 8815 1 13 . 1 1 104 104 ARG H H 104 8.986 8.986 8.990 -0.004 18443 8816 1 13 . 1 1 105 105 ALA N N 105 119.508 119.508 119.739 -0.231 18443 8817 1 13 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.181 -0.072 18443 8818 1 13 . 1 1 105 105 ALA C C 105 181.065 181.065 179.839 1.226 18443 8819 1 13 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.914 0.831 18443 8820 1 13 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.911 0.385 18443 8821 1 13 . 1 1 105 105 ALA H H 105 9.033 9.033 8.530 0.503 18443 8822 1 13 . 1 1 106 106 GLU N N 106 117.537 117.537 119.820 -2.283 18443 8823 1 13 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.082 0.047 18443 8824 1 13 . 1 1 106 106 GLU C C 106 178.041 178.041 178.539 -0.498 18443 8825 1 13 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.962 -0.169 18443 8826 1 13 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.547 0.686 18443 8827 1 13 . 1 1 106 106 GLU H H 106 7.201 7.201 7.685 -0.484 18443 8828 1 13 . 1 1 107 107 PHE N N 107 120.721 120.721 120.981 -0.260 18443 8829 1 13 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.220 -0.036 18443 8830 1 13 . 1 1 107 107 PHE C C 107 177.235 177.235 177.577 -0.342 18443 8831 1 13 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.528 0.215 18443 8832 1 13 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.269 0.814 18443 8833 1 13 . 1 1 107 107 PHE H H 107 8.555 8.555 7.983 0.572 18443 8834 1 13 . 1 1 108 108 LEU N N 108 117.219 117.219 119.745 -2.526 18443 8835 1 13 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.806 0.025 18443 8836 1 13 . 1 1 108 108 LEU C C 108 178.406 178.406 179.017 -0.611 18443 8837 1 13 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.423 0.061 18443 8838 1 13 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.574 0.578 18443 8839 1 13 . 1 1 108 108 LEU H H 108 8.364 8.364 8.912 -0.548 18443 8840 1 13 . 1 1 109 109 LYS N N 109 118.680 118.680 118.487 0.193 18443 8841 1 13 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.886 0.015 18443 8842 1 13 . 1 1 109 109 LYS C C 109 179.696 179.696 178.775 0.921 18443 8843 1 13 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.683 0.499 18443 8844 1 13 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.080 0.186 18443 8845 1 13 . 1 1 109 109 LYS H H 109 7.330 7.330 7.656 -0.326 18443 8846 1 13 . 1 1 110 110 GLU N N 110 119.802 119.802 120.313 -0.511 18443 8847 1 13 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.892 0.069 18443 8848 1 13 . 1 1 110 110 GLU C C 110 179.903 179.903 178.393 1.510 18443 8849 1 13 . 1 1 110 110 GLU CA C 110 59.124 59.124 59.101 0.023 18443 8850 1 13 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.535 -0.763 18443 8851 1 13 . 1 1 110 110 GLU H H 110 8.077 8.077 7.973 0.104 18443 8852 1 13 . 1 1 111 111 LEU N N 111 120.129 120.129 119.910 0.219 18443 8853 1 13 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.618 -0.086 18443 8854 1 13 . 1 1 111 111 LEU C C 111 179.792 179.792 179.001 0.791 18443 8855 1 13 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.330 0.104 18443 8856 1 13 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.071 1.657 18443 8857 1 13 . 1 1 111 111 LEU H H 111 8.341 8.341 8.360 -0.019 18443 8858 1 13 . 1 1 112 112 ARG N N 112 118.350 118.350 119.587 -1.237 18443 8859 1 13 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.983 -0.087 18443 8860 1 13 . 1 1 112 112 ARG C C 112 179.446 179.446 178.710 0.736 18443 8861 1 13 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.570 1.753 18443 8862 1 13 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.623 0.255 18443 8863 1 13 . 1 1 112 112 ARG H H 112 8.166 8.166 7.663 0.503 18443 8864 1 13 . 1 1 113 113 GLN N N 113 118.358 118.358 118.478 -0.120 18443 8865 1 13 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.120 -0.027 18443 8866 1 13 . 1 1 113 113 GLN C C 113 179.137 179.137 178.540 0.597 18443 8867 1 13 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.243 0.588 18443 8868 1 13 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.487 -0.017 18443 8869 1 13 . 1 1 113 113 GLN H H 113 7.842 7.842 7.754 0.088 18443 8870 1 13 . 1 1 114 114 VAL N N 114 120.174 120.174 120.798 -0.624 18443 8871 1 13 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.590 0.062 18443 8872 1 13 . 1 1 114 114 VAL C C 114 177.853 177.853 177.979 -0.126 18443 8873 1 13 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.111 -0.047 18443 8874 1 13 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.168 0.071 18443 8875 1 13 . 1 1 114 114 VAL H H 114 7.947 7.947 8.563 -0.616 18443 8876 1 13 . 1 1 115 115 CYS N N 115 117.549 117.549 116.804 0.745 18443 8877 1 13 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.375 -0.295 18443 8878 1 13 . 1 1 115 115 CYS C C 115 177.204 177.204 176.120 1.084 18443 8879 1 13 . 1 1 115 115 CYS CA C 115 63.574 63.574 62.369 1.205 18443 8880 1 13 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.270 0.487 18443 8881 1 13 . 1 1 115 115 CYS H H 115 7.801 7.801 8.101 -0.300 18443 8882 1 13 . 1 1 116 116 VAL N N 116 119.053 119.053 118.873 0.180 18443 8883 1 13 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.894 -0.041 18443 8884 1 13 . 1 1 116 116 VAL C C 116 178.840 178.840 177.807 1.033 18443 8885 1 13 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.660 -0.218 18443 8886 1 13 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.993 -0.085 18443 8887 1 13 . 1 1 116 116 VAL H H 116 7.465 7.465 7.566 -0.101 18443 8888 1 13 . 1 1 117 117 LYS N N 117 121.003 121.003 120.401 0.602 18443 8889 1 13 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.392 -0.216 18443 8890 1 13 . 1 1 117 117 LYS C C 117 178.689 178.689 178.395 0.294 18443 8891 1 13 . 1 1 117 117 LYS CA C 117 58.555 58.555 57.842 0.713 18443 8892 1 13 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.419 1.299 18443 8893 1 13 . 1 1 117 117 LYS H H 117 7.915 7.915 8.332 -0.417 18443 8894 1 13 . 1 1 118 118 GLY N N 118 106.132 106.132 107.086 -0.954 18443 8895 1 13 . 1 1 118 118 GLY C C 118 174.909 174.909 175.562 -0.653 18443 8896 1 13 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.581 -0.617 18443 8897 1 13 . 1 1 118 118 GLY H H 118 8.472 8.472 8.031 0.441 18443 8898 1 13 . 1 1 119 119 GLY N N 119 107.977 107.977 108.576 -0.599 18443 8899 1 13 . 1 1 119 119 GLY C C 119 174.631 174.631 174.519 0.112 18443 8900 1 13 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.848 1.118 18443 8901 1 13 . 1 1 119 119 GLY H H 119 7.791 7.791 7.593 0.198 18443 8902 1 13 . 1 1 120 120 ALA N N 120 123.981 123.981 125.692 -1.711 18443 8903 1 13 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.697 -0.284 18443 8904 1 13 . 1 1 120 120 ALA C C 120 178.143 178.143 176.730 1.413 18443 8905 1 13 . 1 1 120 120 ALA CA C 120 52.816 52.816 49.822 2.994 18443 8906 1 13 . 1 1 120 120 ALA CB C 120 19.102 19.102 17.737 1.365 18443 8907 1 13 . 1 1 120 120 ALA H H 120 8.171 8.171 8.136 0.034 18443 8908 1 13 . 1 1 121 121 CYS N N 121 117.342 117.342 119.775 -2.433 18443 8909 1 13 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.625 -0.115 18443 8910 1 13 . 1 1 121 121 CYS C C 121 175.318 175.318 175.570 -0.252 18443 8911 1 13 . 1 1 121 121 CYS CA C 121 58.974 58.974 58.595 0.379 18443 8912 1 13 . 1 1 121 121 CYS CB C 121 28.109 28.109 27.262 0.847 18443 8913 1 13 . 1 1 121 121 CYS H H 121 8.200 8.200 7.653 0.547 18443 8914 1 13 . 1 1 122 122 GLY N N 122 110.351 110.351 114.225 -3.874 18443 8915 1 13 . 1 1 122 122 GLY C C 122 174.299 174.299 173.687 0.612 18443 8916 1 13 . 1 1 122 122 GLY CA C 122 45.525 45.525 44.616 0.909 18443 8917 1 13 . 1 1 122 122 GLY H H 122 8.367 8.367 8.390 -0.023 18443 8918 1 13 . 1 1 123 123 GLU N N 123 120.589 120.589 120.840 -0.251 18443 8919 1 13 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.067 0.240 18443 8920 1 13 . 1 1 123 123 GLU C C 123 177.296 177.296 177.854 -0.558 18443 8921 1 13 . 1 1 123 123 GLU CA C 123 56.830 56.830 57.613 -0.783 18443 8922 1 13 . 1 1 123 123 GLU CB C 123 30.461 30.461 28.008 2.453 18443 8923 1 13 . 1 1 123 123 GLU H H 123 8.280 8.280 8.118 0.162 18443 8924 1 13 . 1 1 124 124 GLY N N 124 109.521 109.521 113.454 -3.933 18443 8925 1 13 . 1 1 124 124 GLY C C 124 174.189 174.189 174.964 -0.775 18443 8926 1 13 . 1 1 124 124 GLY CA C 124 45.540 45.540 46.105 -0.565 18443 8927 1 13 . 1 1 124 124 GLY H H 124 8.465 8.465 9.193 -0.728 18443 8928 1 13 . 1 1 125 125 HIS N N 125 118.418 118.418 115.350 3.068 18443 8929 1 13 . 1 1 125 125 HIS CA C 125 55.971 55.971 57.358 -1.387 18443 8930 1 13 . 1 1 125 125 HIS CB C 125 30.073 30.073 27.656 2.417 18443 8931 1 13 . 1 1 125 125 HIS H H 125 8.244 8.244 8.029 0.215 18443 8932 1 14 . 1 1 2 2 SER HA H 2 4.050 4.050 4.064 -0.014 18443 8933 1 14 . 1 1 2 2 SER CA C 2 57.351 57.351 58.990 -1.639 18443 8934 1 14 . 1 1 2 2 SER CB C 2 63.259 63.259 63.261 -0.002 18443 8935 1 14 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.538 -0.236 18443 8936 1 14 . 1 1 3 3 LEU C C 3 175.706 175.706 175.430 0.276 18443 8937 1 14 . 1 1 3 3 LEU CA C 3 55.286 55.286 53.984 1.302 18443 8938 1 14 . 1 1 3 3 LEU CB C 3 42.920 42.920 44.682 -1.762 18443 8939 1 14 . 1 1 4 4 ARG N N 4 127.222 127.222 124.008 3.214 18443 8940 1 14 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.520 -0.202 18443 8941 1 14 . 1 1 4 4 ARG C C 4 173.862 173.862 174.646 -0.784 18443 8942 1 14 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.733 0.248 18443 8943 1 14 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.759 1.567 18443 8944 1 14 . 1 1 4 4 ARG H H 4 8.502 8.502 8.368 0.134 18443 8945 1 14 . 1 1 5 5 TRP N N 5 123.052 123.052 126.356 -3.304 18443 8946 1 14 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.454 -0.454 18443 8947 1 14 . 1 1 5 5 TRP C C 5 176.309 176.309 175.968 0.341 18443 8948 1 14 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.530 -0.849 18443 8949 1 14 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.585 0.305 18443 8950 1 14 . 1 1 5 5 TRP H H 5 8.184 8.184 8.378 -0.194 18443 8951 1 14 . 1 1 6 6 TYR N N 6 120.957 120.957 119.721 1.236 18443 8952 1 14 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.036 -0.057 18443 8953 1 14 . 1 1 6 6 TYR CA C 6 57.184 57.184 56.083 1.101 18443 8954 1 14 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.753 0.584 18443 8955 1 14 . 1 1 6 6 TYR H H 6 8.818 8.818 9.238 -0.420 18443 8956 1 14 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.652 0.258 18443 8957 1 14 . 1 1 7 7 PRO C C 7 177.869 177.869 177.355 0.514 18443 8958 1 14 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.727 -0.149 18443 8959 1 14 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.678 0.267 18443 8960 1 14 . 1 1 8 8 TYR N N 8 122.256 122.256 123.916 -1.660 18443 8961 1 14 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.073 -0.030 18443 8962 1 14 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.425 -0.350 18443 8963 1 14 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.069 0.785 18443 8964 1 14 . 1 1 8 8 TYR H H 8 9.408 9.408 9.113 0.295 18443 8965 1 14 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.147 -0.105 18443 8966 1 14 . 1 1 9 9 PRO C C 9 180.472 180.472 178.840 1.632 18443 8967 1 14 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.934 0.452 18443 8968 1 14 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.125 -0.599 18443 8969 1 14 . 1 1 10 10 GLU N N 10 118.047 118.047 118.267 -0.220 18443 8970 1 14 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.043 0.011 18443 8971 1 14 . 1 1 10 10 GLU C C 10 178.293 178.293 178.313 -0.020 18443 8972 1 14 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.038 -0.008 18443 8973 1 14 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.155 1.154 18443 8974 1 14 . 1 1 10 10 GLU H H 10 7.093 7.093 8.431 -1.338 18443 8975 1 14 . 1 1 11 11 ALA N N 11 121.740 121.740 122.514 -0.774 18443 8976 1 14 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.938 -0.317 18443 8977 1 14 . 1 1 11 11 ALA C C 11 178.890 178.890 179.728 -0.838 18443 8978 1 14 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.327 -0.808 18443 8979 1 14 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.304 0.741 18443 8980 1 14 . 1 1 11 11 ALA H H 11 8.447 8.447 8.603 -0.156 18443 8981 1 14 . 1 1 12 12 LEU N N 12 115.622 115.622 118.865 -3.243 18443 8982 1 14 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.597 -0.146 18443 8983 1 14 . 1 1 12 12 LEU C C 12 179.331 179.331 178.990 0.341 18443 8984 1 14 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.930 0.593 18443 8985 1 14 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.915 -0.470 18443 8986 1 14 . 1 1 12 12 LEU H H 12 7.354 7.354 7.545 -0.191 18443 8987 1 14 . 1 1 13 13 ALA N N 13 120.240 120.240 122.784 -2.544 18443 8988 1 14 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.138 0.037 18443 8989 1 14 . 1 1 13 13 ALA C C 13 181.630 181.630 179.675 1.955 18443 8990 1 14 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.177 0.148 18443 8991 1 14 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.252 -0.097 18443 8992 1 14 . 1 1 13 13 ALA H H 13 7.201 7.201 7.595 -0.394 18443 8993 1 14 . 1 1 14 14 LEU N N 14 120.757 120.757 120.483 0.274 18443 8994 1 14 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.733 0.354 18443 8995 1 14 . 1 1 14 14 LEU C C 14 179.635 179.635 178.997 0.638 18443 8996 1 14 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.626 0.062 18443 8997 1 14 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.666 2.126 18443 8998 1 14 . 1 1 14 14 LEU H H 14 8.202 8.202 8.588 -0.386 18443 8999 1 14 . 1 1 15 15 ALA N N 15 121.483 121.483 119.545 1.938 18443 9000 1 14 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.956 -0.082 18443 9001 1 14 . 1 1 15 15 ALA C C 15 180.839 180.839 179.895 0.944 18443 9002 1 14 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.175 1.073 18443 9003 1 14 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.393 1.242 18443 9004 1 14 . 1 1 15 15 ALA H H 15 8.594 8.594 8.210 0.384 18443 9005 1 14 . 1 1 16 16 GLN N N 16 117.131 117.131 120.787 -3.656 18443 9006 1 14 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.104 -0.135 18443 9007 1 14 . 1 1 16 16 GLN C C 16 178.701 178.701 178.459 0.242 18443 9008 1 14 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.438 0.715 18443 9009 1 14 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.575 0.304 18443 9010 1 14 . 1 1 16 16 GLN H H 16 8.609 8.609 8.314 0.295 18443 9011 1 14 . 1 1 17 17 ALA N N 17 120.088 120.088 120.454 -0.366 18443 9012 1 14 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.347 -0.228 18443 9013 1 14 . 1 1 17 17 ALA C C 17 179.305 179.305 178.685 0.620 18443 9014 1 14 . 1 1 17 17 ALA CA C 17 54.619 54.619 54.074 0.545 18443 9015 1 14 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.976 -0.713 18443 9016 1 14 . 1 1 17 17 ALA H H 17 7.635 7.635 8.278 -0.643 18443 9017 1 14 . 1 1 18 18 HIS N N 18 111.636 111.636 113.974 -2.338 18443 9018 1 14 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.641 0.171 18443 9019 1 14 . 1 1 18 18 HIS C C 18 175.021 175.021 175.334 -0.313 18443 9020 1 14 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.438 0.099 18443 9021 1 14 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.189 0.023 18443 9022 1 14 . 1 1 18 18 HIS H H 18 7.728 7.728 7.695 0.033 18443 9023 1 14 . 1 1 19 19 GLY N N 19 111.899 111.899 109.089 2.810 18443 9024 1 14 . 1 1 19 19 GLY C C 19 175.071 175.071 174.523 0.548 18443 9025 1 14 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.974 1.681 18443 9026 1 14 . 1 1 19 19 GLY H H 19 7.886 7.886 8.110 -0.224 18443 9027 1 14 . 1 1 20 20 ARG N N 20 118.442 118.442 119.102 -0.660 18443 9028 1 14 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.452 0.159 18443 9029 1 14 . 1 1 20 20 ARG C C 20 174.586 174.586 175.802 -1.216 18443 9030 1 14 . 1 1 20 20 ARG CA C 20 54.512 54.512 54.212 0.300 18443 9031 1 14 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.026 2.249 18443 9032 1 14 . 1 1 20 20 ARG H H 20 8.239 8.239 8.068 0.171 18443 9033 1 14 . 1 1 21 21 MET N N 21 115.457 115.457 117.856 -2.399 18443 9034 1 14 . 1 1 21 21 MET HA H 21 4.870 4.870 4.664 0.206 18443 9035 1 14 . 1 1 21 21 MET C C 21 175.707 175.707 175.062 0.645 18443 9036 1 14 . 1 1 21 21 MET CA C 21 56.111 56.111 55.189 0.922 18443 9037 1 14 . 1 1 21 21 MET CB C 21 35.717 35.717 35.435 0.282 18443 9038 1 14 . 1 1 21 21 MET H H 21 7.193 7.193 8.590 -1.397 18443 9039 1 14 . 1 1 22 22 VAL N N 22 119.607 119.607 120.464 -0.857 18443 9040 1 14 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.634 0.676 18443 9041 1 14 . 1 1 22 22 VAL C C 22 176.506 176.506 174.717 1.789 18443 9042 1 14 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.653 -1.224 18443 9043 1 14 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.885 2.773 18443 9044 1 14 . 1 1 22 22 VAL H H 22 9.034 9.034 9.159 -0.125 18443 9045 1 14 . 1 1 23 23 MET N N 23 126.309 126.309 128.898 -2.589 18443 9046 1 14 . 1 1 23 23 MET HA H 23 4.878 4.878 5.098 -0.220 18443 9047 1 14 . 1 1 23 23 MET C C 23 173.960 173.960 174.415 -0.455 18443 9048 1 14 . 1 1 23 23 MET CA C 23 54.184 54.184 54.131 0.053 18443 9049 1 14 . 1 1 23 23 MET CB C 23 36.920 36.920 34.183 2.737 18443 9050 1 14 . 1 1 23 23 MET H H 23 8.704 8.704 8.904 -0.200 18443 9051 1 14 . 1 1 24 24 VAL N N 24 128.959 128.959 129.036 -0.077 18443 9052 1 14 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.025 0.313 18443 9053 1 14 . 1 1 24 24 VAL C C 24 174.245 174.245 174.064 0.181 18443 9054 1 14 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.528 -0.775 18443 9055 1 14 . 1 1 24 24 VAL CB C 24 31.821 31.821 30.805 1.016 18443 9056 1 14 . 1 1 24 24 VAL H H 24 9.908 9.908 9.237 0.671 18443 9057 1 14 . 1 1 25 25 TYR N N 25 129.726 129.726 130.517 -0.791 18443 9058 1 14 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.264 -0.037 18443 9059 1 14 . 1 1 25 25 TYR C C 25 173.393 173.393 173.718 -0.325 18443 9060 1 14 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.320 -2.237 18443 9061 1 14 . 1 1 25 25 TYR CB C 25 39.518 39.518 40.125 -0.607 18443 9062 1 14 . 1 1 25 25 TYR H H 25 9.031 9.031 9.076 -0.045 18443 9063 1 14 . 1 1 26 26 PHE N N 26 126.719 126.719 127.700 -0.981 18443 9064 1 14 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.811 0.284 18443 9065 1 14 . 1 1 26 26 PHE C C 26 174.151 174.151 174.683 -0.532 18443 9066 1 14 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.071 0.367 18443 9067 1 14 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.559 0.065 18443 9068 1 14 . 1 1 26 26 PHE H H 26 9.162 9.162 8.892 0.270 18443 9069 1 14 . 1 1 27 27 HIS N N 27 118.311 118.311 119.472 -1.161 18443 9070 1 14 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.296 -0.134 18443 9071 1 14 . 1 1 27 27 HIS C C 27 173.044 173.044 173.683 -0.639 18443 9072 1 14 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.623 -0.163 18443 9073 1 14 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.090 1.998 18443 9074 1 14 . 1 1 27 27 HIS H H 27 8.168 8.168 8.733 -0.565 18443 9075 1 14 . 1 1 28 28 SER N N 28 112.150 112.150 114.448 -2.298 18443 9076 1 14 . 1 1 28 28 SER HA H 28 4.790 4.790 5.549 -0.759 18443 9077 1 14 . 1 1 28 28 SER C C 28 176.815 176.815 174.323 2.492 18443 9078 1 14 . 1 1 28 28 SER CA C 28 56.260 56.260 55.328 0.932 18443 9079 1 14 . 1 1 28 28 SER CB C 28 65.470 65.470 65.779 -0.309 18443 9080 1 14 . 1 1 28 28 SER H H 28 7.545 7.545 8.369 -0.824 18443 9081 1 14 . 1 1 29 29 GLU N N 29 130.603 130.603 123.922 6.681 18443 9082 1 14 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.234 -0.134 18443 9083 1 14 . 1 1 29 29 GLU C C 29 176.980 176.980 176.623 0.357 18443 9084 1 14 . 1 1 29 29 GLU CA C 29 58.670 58.670 57.495 1.175 18443 9085 1 14 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.281 0.358 18443 9086 1 14 . 1 1 29 29 GLU H H 29 9.681 9.681 9.444 0.237 18443 9087 1 14 . 1 1 30 30 HIS N N 30 114.752 114.752 117.595 -2.843 18443 9088 1 14 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.741 -0.047 18443 9089 1 14 . 1 1 30 30 HIS C C 30 173.679 173.679 175.471 -1.792 18443 9090 1 14 . 1 1 30 30 HIS CA C 30 54.393 54.393 55.578 -1.185 18443 9091 1 14 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.578 -0.206 18443 9092 1 14 . 1 1 30 30 HIS H H 30 8.226 8.226 7.619 0.607 18443 9093 1 14 . 1 1 31 31 CYS N N 31 124.685 124.685 120.387 4.298 18443 9094 1 14 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.850 0.096 18443 9095 1 14 . 1 1 31 31 CYS C C 31 175.771 175.771 174.814 0.957 18443 9096 1 14 . 1 1 31 31 CYS CA C 31 56.116 56.116 55.334 0.782 18443 9097 1 14 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.206 3.209 18443 9098 1 14 . 1 1 31 31 CYS H H 31 7.091 7.091 7.429 -0.338 18443 9099 1 14 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.315 0.019 18443 9100 1 14 . 1 1 32 32 PRO C C 32 179.352 179.352 177.845 1.507 18443 9101 1 14 . 1 1 32 32 PRO CA C 32 64.193 64.193 64.976 -0.783 18443 9102 1 14 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.068 0.004 18443 9103 1 14 . 1 1 33 33 TYR N N 33 125.092 125.092 116.274 8.818 18443 9104 1 14 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.541 -0.046 18443 9105 1 14 . 1 1 33 33 TYR C C 33 179.457 179.457 177.883 1.574 18443 9106 1 14 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.069 0.811 18443 9107 1 14 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.069 0.276 18443 9108 1 14 . 1 1 33 33 TYR H H 33 8.621 8.621 8.669 -0.048 18443 9109 1 14 . 1 1 34 34 CYS N N 34 127.272 127.272 119.573 7.699 18443 9110 1 14 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.176 0.159 18443 9111 1 14 . 1 1 34 34 CYS C C 34 176.672 176.672 176.392 0.280 18443 9112 1 14 . 1 1 34 34 CYS CA C 34 64.159 64.159 62.096 2.063 18443 9113 1 14 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.132 1.745 18443 9114 1 14 . 1 1 34 34 CYS H H 34 9.440 9.440 8.618 0.822 18443 9115 1 14 . 1 1 35 35 GLN N N 35 118.373 118.373 118.633 -0.260 18443 9116 1 14 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.878 0.181 18443 9117 1 14 . 1 1 35 35 GLN CA C 35 59.374 59.374 59.106 0.268 18443 9118 1 14 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.546 0.030 18443 9119 1 14 . 1 1 35 35 GLN H H 35 7.866 7.866 8.361 -0.495 18443 9120 1 14 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.207 0.039 18443 9121 1 14 . 1 1 36 36 GLN C C 36 178.881 178.881 178.422 0.459 18443 9122 1 14 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.654 0.972 18443 9123 1 14 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.445 0.160 18443 9124 1 14 . 1 1 37 37 MET N N 37 117.759 117.759 120.400 -2.641 18443 9125 1 14 . 1 1 37 37 MET HA H 37 4.488 4.488 4.124 0.364 18443 9126 1 14 . 1 1 37 37 MET C C 37 179.838 179.838 178.221 1.617 18443 9127 1 14 . 1 1 37 37 MET CA C 37 57.229 57.229 59.335 -2.106 18443 9128 1 14 . 1 1 37 37 MET CB C 37 29.983 29.983 32.746 -2.763 18443 9129 1 14 . 1 1 37 37 MET H H 37 8.125 8.125 8.556 -0.431 18443 9130 1 14 . 1 1 38 38 ASN N N 38 122.249 122.249 118.074 4.175 18443 9131 1 14 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.454 -0.092 18443 9132 1 14 . 1 1 38 38 ASN C C 38 177.355 177.355 177.823 -0.468 18443 9133 1 14 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.498 -0.063 18443 9134 1 14 . 1 1 38 38 ASN CB C 38 37.512 37.512 37.886 -0.374 18443 9135 1 14 . 1 1 38 38 ASN H H 38 9.245 9.245 8.912 0.333 18443 9136 1 14 . 1 1 39 39 THR N N 39 113.554 113.554 116.170 -2.616 18443 9137 1 14 . 1 1 39 39 THR HA H 39 3.853 3.853 3.863 -0.010 18443 9138 1 14 . 1 1 39 39 THR C C 39 176.277 176.277 175.883 0.394 18443 9139 1 14 . 1 1 39 39 THR CA C 39 65.843 65.843 65.994 -0.151 18443 9140 1 14 . 1 1 39 39 THR CB C 39 69.595 69.595 68.642 0.953 18443 9141 1 14 . 1 1 39 39 THR H H 39 8.034 8.034 7.525 0.509 18443 9142 1 14 . 1 1 40 40 PHE N N 40 116.394 116.394 118.375 -1.981 18443 9143 1 14 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.463 0.357 18443 9144 1 14 . 1 1 40 40 PHE C C 40 176.255 176.255 177.521 -1.266 18443 9145 1 14 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.258 -1.543 18443 9146 1 14 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.679 2.206 18443 9147 1 14 . 1 1 40 40 PHE H H 40 8.309 8.309 7.678 0.631 18443 9148 1 14 . 1 1 41 41 VAL N N 41 117.246 117.246 118.642 -1.396 18443 9149 1 14 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.746 0.560 18443 9150 1 14 . 1 1 41 41 VAL C C 41 176.704 176.704 177.793 -1.089 18443 9151 1 14 . 1 1 41 41 VAL CA C 41 65.839 65.839 65.956 -0.117 18443 9152 1 14 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.356 2.283 18443 9153 1 14 . 1 1 41 41 VAL H H 41 7.678 7.678 7.641 0.037 18443 9154 1 14 . 1 1 42 42 LEU N N 42 117.179 117.179 117.990 -0.811 18443 9155 1 14 . 1 1 42 42 LEU HA H 42 3.948 3.948 3.967 -0.019 18443 9156 1 14 . 1 1 42 42 LEU C C 42 175.837 175.837 178.423 -2.586 18443 9157 1 14 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.692 0.604 18443 9158 1 14 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.713 -1.598 18443 9159 1 14 . 1 1 42 42 LEU H H 42 8.882 8.882 8.471 0.411 18443 9160 1 14 . 1 1 43 43 SER N N 43 105.494 105.494 113.658 -8.164 18443 9161 1 14 . 1 1 43 43 SER HA H 43 4.408 4.408 4.364 0.044 18443 9162 1 14 . 1 1 43 43 SER C C 43 175.397 175.397 174.512 0.885 18443 9163 1 14 . 1 1 43 43 SER CA C 43 57.144 57.144 58.507 -1.363 18443 9164 1 14 . 1 1 43 43 SER CB C 43 64.117 64.117 62.710 1.407 18443 9165 1 14 . 1 1 43 43 SER H H 43 6.785 6.785 7.478 -0.693 18443 9166 1 14 . 1 1 44 44 ASP N N 44 126.617 126.617 123.944 2.673 18443 9167 1 14 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.623 0.188 18443 9168 1 14 . 1 1 44 44 ASP C C 44 175.644 175.644 175.462 0.182 18443 9169 1 14 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.500 -0.827 18443 9170 1 14 . 1 1 44 44 ASP CB C 44 43.673 43.673 41.955 1.718 18443 9171 1 14 . 1 1 44 44 ASP H H 44 7.443 7.443 7.373 0.070 18443 9172 1 14 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.250 0.102 18443 9173 1 14 . 1 1 45 45 PRO C C 45 178.792 178.792 178.539 0.253 18443 9174 1 14 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.529 0.230 18443 9175 1 14 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.784 0.555 18443 9176 1 14 . 1 1 46 46 GLY N N 46 107.270 107.270 105.166 2.104 18443 9177 1 14 . 1 1 46 46 GLY C C 46 176.799 176.799 176.452 0.347 18443 9178 1 14 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.710 0.318 18443 9179 1 14 . 1 1 46 46 GLY H H 46 8.161 8.161 8.660 -0.499 18443 9180 1 14 . 1 1 47 47 VAL N N 47 124.473 124.473 122.387 2.086 18443 9181 1 14 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.647 -0.052 18443 9182 1 14 . 1 1 47 47 VAL C C 47 177.886 177.886 178.217 -0.331 18443 9183 1 14 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.896 0.604 18443 9184 1 14 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.090 1.335 18443 9185 1 14 . 1 1 47 47 VAL H H 47 8.344 8.344 8.177 0.167 18443 9186 1 14 . 1 1 48 48 SER N N 48 113.807 113.807 115.354 -1.547 18443 9187 1 14 . 1 1 48 48 SER HA H 48 4.053 4.053 4.068 -0.015 18443 9188 1 14 . 1 1 48 48 SER C C 48 176.889 176.889 176.561 0.328 18443 9189 1 14 . 1 1 48 48 SER CA C 48 62.777 62.777 61.974 0.803 18443 9190 1 14 . 1 1 48 48 SER CB C 48 62.884 62.884 62.638 0.246 18443 9191 1 14 . 1 1 48 48 SER H H 48 9.023 9.023 8.661 0.362 18443 9192 1 14 . 1 1 49 49 ARG N N 49 119.875 119.875 122.321 -2.446 18443 9193 1 14 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.316 -0.152 18443 9194 1 14 . 1 1 49 49 ARG C C 49 179.398 179.398 178.681 0.717 18443 9195 1 14 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.130 0.428 18443 9196 1 14 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.925 0.322 18443 9197 1 14 . 1 1 49 49 ARG H H 49 8.081 8.081 7.703 0.378 18443 9198 1 14 . 1 1 50 50 LEU N N 50 121.717 121.717 119.123 2.594 18443 9199 1 14 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.089 0.290 18443 9200 1 14 . 1 1 50 50 LEU C C 50 179.482 179.482 179.014 0.468 18443 9201 1 14 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.641 0.565 18443 9202 1 14 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.692 0.143 18443 9203 1 14 . 1 1 50 50 LEU H H 50 7.291 7.291 7.646 -0.355 18443 9204 1 14 . 1 1 51 51 LEU N N 51 118.677 118.677 118.507 0.170 18443 9205 1 14 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.005 0.285 18443 9206 1 14 . 1 1 51 51 LEU C C 51 179.233 179.233 179.295 -0.062 18443 9207 1 14 . 1 1 51 51 LEU CA C 51 58.343 58.343 56.985 1.358 18443 9208 1 14 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.595 1.791 18443 9209 1 14 . 1 1 51 51 LEU H H 51 8.358 8.358 7.319 1.039 18443 9210 1 14 . 1 1 52 52 GLU N N 52 116.437 116.437 119.339 -2.902 18443 9211 1 14 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.933 0.235 18443 9212 1 14 . 1 1 52 52 GLU C C 52 178.898 178.898 178.742 0.156 18443 9213 1 14 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.125 -0.132 18443 9214 1 14 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.428 0.777 18443 9215 1 14 . 1 1 52 52 GLU H H 52 8.715 8.715 8.554 0.161 18443 9216 1 14 . 1 1 53 53 ALA N N 53 119.092 119.092 119.783 -0.691 18443 9217 1 14 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.193 0.234 18443 9218 1 14 . 1 1 53 53 ALA C C 53 180.298 180.298 178.403 1.895 18443 9219 1 14 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.337 0.226 18443 9220 1 14 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.325 0.893 18443 9221 1 14 . 1 1 53 53 ALA H H 53 7.782 7.782 7.732 0.050 18443 9222 1 14 . 1 1 54 54 ARG N N 54 111.562 111.562 112.734 -1.172 18443 9223 1 14 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.495 0.160 18443 9224 1 14 . 1 1 54 54 ARG C C 54 175.560 175.560 174.612 0.948 18443 9225 1 14 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.495 -0.464 18443 9226 1 14 . 1 1 54 54 ARG CB C 54 33.337 33.337 31.196 2.141 18443 9227 1 14 . 1 1 54 54 ARG H H 54 7.740 7.740 7.851 -0.111 18443 9228 1 14 . 1 1 55 55 PHE N N 55 117.038 117.038 120.711 -3.673 18443 9229 1 14 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.537 0.125 18443 9230 1 14 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.911 -0.083 18443 9231 1 14 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.885 0.397 18443 9232 1 14 . 1 1 55 55 PHE H H 55 8.555 8.555 8.253 0.302 18443 9233 1 14 . 1 1 56 56 VAL N N 56 121.038 121.038 122.985 -1.947 18443 9234 1 14 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.318 0.007 18443 9235 1 14 . 1 1 56 56 VAL C C 56 175.305 175.305 175.123 0.182 18443 9236 1 14 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.653 1.293 18443 9237 1 14 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.529 1.976 18443 9238 1 14 . 1 1 56 56 VAL H H 56 8.817 8.817 9.452 -0.635 18443 9239 1 14 . 1 1 57 57 VAL N N 57 125.781 125.781 129.364 -3.583 18443 9240 1 14 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.338 0.638 18443 9241 1 14 . 1 1 57 57 VAL C C 57 174.535 174.535 174.682 -0.147 18443 9242 1 14 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.742 -0.352 18443 9243 1 14 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.555 1.381 18443 9244 1 14 . 1 1 57 57 VAL H H 57 9.498 9.498 8.266 1.232 18443 9245 1 14 . 1 1 58 58 ALA N N 58 128.137 128.137 131.809 -3.672 18443 9246 1 14 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.461 0.160 18443 9247 1 14 . 1 1 58 58 ALA C C 58 175.953 175.953 177.053 -1.100 18443 9248 1 14 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.818 -1.054 18443 9249 1 14 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.458 1.257 18443 9250 1 14 . 1 1 58 58 ALA H H 58 9.062 9.062 9.246 -0.184 18443 9251 1 14 . 1 1 59 59 SER N N 59 117.343 117.343 121.500 -4.157 18443 9252 1 14 . 1 1 59 59 SER HA H 59 4.693 4.693 5.028 -0.335 18443 9253 1 14 . 1 1 59 59 SER C C 59 174.092 174.092 174.307 -0.215 18443 9254 1 14 . 1 1 59 59 SER CA C 59 56.135 56.135 57.499 -1.364 18443 9255 1 14 . 1 1 59 59 SER CB C 59 63.731 63.731 63.071 0.660 18443 9256 1 14 . 1 1 59 59 SER H H 59 8.676 8.676 9.303 -0.627 18443 9257 1 14 . 1 1 60 60 VAL N N 60 129.829 129.829 127.647 2.182 18443 9258 1 14 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.195 -0.266 18443 9259 1 14 . 1 1 60 60 VAL C C 60 172.999 172.999 174.807 -1.808 18443 9260 1 14 . 1 1 60 60 VAL CA C 60 61.522 61.522 60.919 0.603 18443 9261 1 14 . 1 1 60 60 VAL CB C 60 33.335 33.335 32.241 1.094 18443 9262 1 14 . 1 1 60 60 VAL H H 60 8.716 8.716 9.046 -0.330 18443 9263 1 14 . 1 1 61 61 SER N N 61 119.457 119.457 123.512 -4.055 18443 9264 1 14 . 1 1 61 61 SER HA H 61 4.211 4.211 3.957 0.254 18443 9265 1 14 . 1 1 61 61 SER C C 61 178.511 178.511 175.656 2.855 18443 9266 1 14 . 1 1 61 61 SER CA C 61 55.404 55.404 57.548 -2.144 18443 9267 1 14 . 1 1 61 61 SER CB C 61 63.080 63.080 63.519 -0.439 18443 9268 1 14 . 1 1 61 61 SER H H 61 8.250 8.250 8.278 -0.028 18443 9269 1 14 . 1 1 62 62 VAL N N 62 123.331 123.331 126.076 -2.745 18443 9270 1 14 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.683 0.358 18443 9271 1 14 . 1 1 62 62 VAL C C 62 174.434 174.434 176.262 -1.828 18443 9272 1 14 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.579 -1.802 18443 9273 1 14 . 1 1 62 62 VAL CB C 62 29.867 29.867 30.676 -0.809 18443 9274 1 14 . 1 1 62 62 VAL H H 62 8.954 8.954 8.658 0.296 18443 9275 1 14 . 1 1 63 63 ASP N N 63 119.953 119.953 117.094 2.859 18443 9276 1 14 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.568 0.151 18443 9277 1 14 . 1 1 63 63 ASP C C 63 175.930 175.930 176.387 -0.457 18443 9278 1 14 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.863 -0.933 18443 9279 1 14 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.535 -0.317 18443 9280 1 14 . 1 1 63 63 ASP H H 63 7.966 7.966 8.153 -0.187 18443 9281 1 14 . 1 1 64 64 THR N N 64 108.822 108.822 111.698 -2.876 18443 9282 1 14 . 1 1 64 64 THR HA H 64 4.963 4.963 4.865 0.098 18443 9283 1 14 . 1 1 64 64 THR C C 64 173.012 173.012 173.744 -0.732 18443 9284 1 14 . 1 1 64 64 THR CA C 64 58.176 58.176 58.816 -0.640 18443 9285 1 14 . 1 1 64 64 THR CB C 64 70.326 70.326 70.519 -0.193 18443 9286 1 14 . 1 1 64 64 THR H H 64 7.315 7.315 7.345 -0.030 18443 9287 1 14 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.100 0.188 18443 9288 1 14 . 1 1 65 65 PRO C C 65 180.307 180.307 178.544 1.763 18443 9289 1 14 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.118 -0.277 18443 9290 1 14 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.448 0.513 18443 9291 1 14 . 1 1 66 66 GLU N N 66 118.398 118.398 118.202 0.196 18443 9292 1 14 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.089 0.072 18443 9293 1 14 . 1 1 66 66 GLU C C 66 179.940 179.940 179.104 0.836 18443 9294 1 14 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.776 0.163 18443 9295 1 14 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.818 1.053 18443 9296 1 14 . 1 1 66 66 GLU H H 66 9.304 9.304 8.892 0.412 18443 9297 1 14 . 1 1 67 67 GLY N N 67 110.592 110.592 107.613 2.979 18443 9298 1 14 . 1 1 67 67 GLY C C 67 176.529 176.529 176.298 0.231 18443 9299 1 14 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.166 0.697 18443 9300 1 14 . 1 1 67 67 GLY H H 67 8.172 8.172 7.657 0.515 18443 9301 1 14 . 1 1 68 68 GLN N N 68 121.948 121.948 122.210 -0.262 18443 9302 1 14 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.950 0.063 18443 9303 1 14 . 1 1 68 68 GLN C C 68 179.366 179.366 178.543 0.823 18443 9304 1 14 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.361 -0.169 18443 9305 1 14 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.952 -1.018 18443 9306 1 14 . 1 1 68 68 GLN H H 68 8.504 8.504 8.543 -0.039 18443 9307 1 14 . 1 1 69 69 GLU N N 69 120.280 120.280 119.482 0.798 18443 9308 1 14 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.139 0.031 18443 9309 1 14 . 1 1 69 69 GLU C C 69 179.360 179.360 179.098 0.262 18443 9310 1 14 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.924 0.566 18443 9311 1 14 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.341 -0.410 18443 9312 1 14 . 1 1 69 69 GLU H H 69 7.815 7.815 8.442 -0.627 18443 9313 1 14 . 1 1 70 70 LEU N N 70 121.041 121.041 121.426 -0.385 18443 9314 1 14 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.133 -0.017 18443 9315 1 14 . 1 1 70 70 LEU C C 70 178.961 178.961 179.175 -0.214 18443 9316 1 14 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.495 0.698 18443 9317 1 14 . 1 1 70 70 LEU CB C 70 42.727 42.727 40.947 1.780 18443 9318 1 14 . 1 1 70 70 LEU H H 70 7.758 7.758 7.755 0.003 18443 9319 1 14 . 1 1 71 71 ALA N N 71 122.094 122.094 121.881 0.213 18443 9320 1 14 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.731 -0.158 18443 9321 1 14 . 1 1 71 71 ALA C C 71 179.966 179.966 179.388 0.578 18443 9322 1 14 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.205 -0.167 18443 9323 1 14 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.560 -1.141 18443 9324 1 14 . 1 1 71 71 ALA H H 71 8.745 8.745 8.783 -0.038 18443 9325 1 14 . 1 1 72 72 ARG N N 72 118.463 118.463 117.597 0.866 18443 9326 1 14 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.027 0.094 18443 9327 1 14 . 1 1 72 72 ARG C C 72 180.905 180.905 178.462 2.443 18443 9328 1 14 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.660 0.864 18443 9329 1 14 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.771 0.531 18443 9330 1 14 . 1 1 72 72 ARG H H 72 7.862 7.862 7.758 0.104 18443 9331 1 14 . 1 1 73 73 ARG N N 73 122.223 122.223 119.936 2.287 18443 9332 1 14 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.054 -0.096 18443 9333 1 14 . 1 1 73 73 ARG C C 73 178.562 178.562 177.629 0.933 18443 9334 1 14 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.371 1.167 18443 9335 1 14 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.041 0.150 18443 9336 1 14 . 1 1 73 73 ARG H H 73 8.189 8.189 7.775 0.414 18443 9337 1 14 . 1 1 74 74 TYR N N 74 114.319 114.319 115.861 -1.542 18443 9338 1 14 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.515 -0.114 18443 9339 1 14 . 1 1 74 74 TYR C C 74 174.321 174.321 175.215 -0.894 18443 9340 1 14 . 1 1 74 74 TYR CA C 74 59.784 59.784 58.795 0.989 18443 9341 1 14 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.242 0.022 18443 9342 1 14 . 1 1 74 74 TYR H H 74 8.047 8.047 7.848 0.199 18443 9343 1 14 . 1 1 75 75 ARG N N 75 119.572 119.572 114.409 5.163 18443 9344 1 14 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.900 -0.031 18443 9345 1 14 . 1 1 75 75 ARG C C 75 175.880 175.880 174.781 1.099 18443 9346 1 14 . 1 1 75 75 ARG CA C 75 56.840 56.840 57.257 -0.417 18443 9347 1 14 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.669 -1.161 18443 9348 1 14 . 1 1 75 75 ARG H H 75 7.865 7.865 7.742 0.123 18443 9349 1 14 . 1 1 76 76 VAL N N 76 119.885 119.885 118.314 1.571 18443 9350 1 14 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.182 -0.391 18443 9351 1 14 . 1 1 76 76 VAL C C 76 176.374 176.374 173.297 3.077 18443 9352 1 14 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.929 1.827 18443 9353 1 14 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.836 -0.923 18443 9354 1 14 . 1 1 76 76 VAL H H 76 8.024 8.024 7.641 0.383 18443 9355 1 14 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.359 0.038 18443 9356 1 14 . 1 1 77 77 PRO C C 77 175.829 175.829 176.064 -0.235 18443 9357 1 14 . 1 1 77 77 PRO CA C 77 63.462 63.462 63.152 0.310 18443 9358 1 14 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.455 -0.698 18443 9359 1 14 . 1 1 78 78 GLY N N 78 105.453 105.453 103.659 1.794 18443 9360 1 14 . 1 1 78 78 GLY C C 78 171.794 171.794 173.133 -1.339 18443 9361 1 14 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.624 -1.015 18443 9362 1 14 . 1 1 78 78 GLY H H 78 6.725 6.725 8.203 -1.478 18443 9363 1 14 . 1 1 79 79 THR N N 79 110.056 110.056 112.606 -2.550 18443 9364 1 14 . 1 1 79 79 THR HA H 79 4.886 4.886 4.828 0.058 18443 9365 1 14 . 1 1 79 79 THR CA C 79 57.957 57.957 58.489 -0.532 18443 9366 1 14 . 1 1 79 79 THR CB C 79 70.685 70.685 69.021 1.664 18443 9367 1 14 . 1 1 79 79 THR H H 79 8.771 8.771 7.904 0.867 18443 9368 1 14 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.472 0.607 18443 9369 1 14 . 1 1 80 80 PRO C C 80 176.536 176.536 175.355 1.181 18443 9370 1 14 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.898 0.661 18443 9371 1 14 . 1 1 80 80 PRO CB C 80 35.671 35.671 33.251 2.420 18443 9372 1 14 . 1 1 81 81 THR N N 81 116.755 116.755 114.047 2.708 18443 9373 1 14 . 1 1 81 81 THR HA H 81 5.425 5.425 5.072 0.353 18443 9374 1 14 . 1 1 81 81 THR C C 81 171.960 171.960 172.851 -0.891 18443 9375 1 14 . 1 1 81 81 THR CA C 81 63.540 63.540 61.875 1.665 18443 9376 1 14 . 1 1 81 81 THR CB C 81 71.840 71.840 72.168 -0.328 18443 9377 1 14 . 1 1 81 81 THR H H 81 8.176 8.176 7.726 0.450 18443 9378 1 14 . 1 1 82 82 PHE N N 82 126.263 126.263 125.369 0.894 18443 9379 1 14 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.291 0.345 18443 9380 1 14 . 1 1 82 82 PHE C C 82 174.738 174.738 174.187 0.551 18443 9381 1 14 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.165 -0.395 18443 9382 1 14 . 1 1 82 82 PHE CB C 82 41.280 41.280 41.154 0.126 18443 9383 1 14 . 1 1 82 82 PHE H H 82 9.540 9.540 9.519 0.021 18443 9384 1 14 . 1 1 83 83 VAL N N 83 123.703 123.703 122.547 1.156 18443 9385 1 14 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.526 0.015 18443 9386 1 14 . 1 1 83 83 VAL C C 83 174.159 174.159 174.630 -0.471 18443 9387 1 14 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.252 0.777 18443 9388 1 14 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.722 1.385 18443 9389 1 14 . 1 1 83 83 VAL H H 83 9.208 9.208 9.031 0.177 18443 9390 1 14 . 1 1 84 84 PHE N N 84 126.003 126.003 127.288 -1.285 18443 9391 1 14 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.377 0.433 18443 9392 1 14 . 1 1 84 84 PHE C C 84 175.481 175.481 175.050 0.431 18443 9393 1 14 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.739 0.514 18443 9394 1 14 . 1 1 84 84 PHE CB C 84 41.812 41.812 39.882 1.930 18443 9395 1 14 . 1 1 84 84 PHE H H 84 8.878 8.878 9.291 -0.413 18443 9396 1 14 . 1 1 85 85 LEU N N 85 123.597 123.597 123.966 -0.369 18443 9397 1 14 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.708 0.186 18443 9398 1 14 . 1 1 85 85 LEU C C 85 176.528 176.528 176.236 0.292 18443 9399 1 14 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.578 -0.208 18443 9400 1 14 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.847 3.352 18443 9401 1 14 . 1 1 85 85 LEU H H 85 9.604 9.604 9.435 0.169 18443 9402 1 14 . 1 1 86 86 VAL N N 86 118.274 118.274 122.811 -4.537 18443 9403 1 14 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.667 0.551 18443 9404 1 14 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.737 -1.176 18443 9405 1 14 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.488 2.005 18443 9406 1 14 . 1 1 86 86 VAL H H 86 9.457 9.457 9.350 0.107 18443 9407 1 14 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.949 -1.001 18443 9408 1 14 . 1 1 87 87 PRO C C 87 177.132 177.132 175.883 1.249 18443 9409 1 14 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.784 0.579 18443 9410 1 14 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.867 -0.209 18443 9411 1 14 . 1 1 88 88 LYS N N 88 124.554 124.554 122.742 1.812 18443 9412 1 14 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.507 -0.228 18443 9413 1 14 . 1 1 88 88 LYS C C 88 175.739 175.739 176.240 -0.501 18443 9414 1 14 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.759 -0.109 18443 9415 1 14 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.617 0.081 18443 9416 1 14 . 1 1 88 88 LYS H H 88 8.119 8.119 8.791 -0.672 18443 9417 1 14 . 1 1 89 89 ALA N N 89 130.786 130.786 126.154 4.632 18443 9418 1 14 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.992 -0.022 18443 9419 1 14 . 1 1 89 89 ALA C C 89 176.947 176.947 177.940 -0.993 18443 9420 1 14 . 1 1 89 89 ALA CA C 89 53.190 53.190 52.580 0.610 18443 9421 1 14 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.174 0.205 18443 9422 1 14 . 1 1 89 89 ALA H H 89 9.128 9.128 9.063 0.065 18443 9423 1 14 . 1 1 90 90 GLY N N 90 106.698 106.698 103.633 3.065 18443 9424 1 14 . 1 1 90 90 GLY C C 90 173.352 173.352 173.559 -0.207 18443 9425 1 14 . 1 1 90 90 GLY CA C 90 45.586 45.586 44.698 0.888 18443 9426 1 14 . 1 1 90 90 GLY H H 90 8.393 8.393 8.388 0.005 18443 9427 1 14 . 1 1 91 91 ALA N N 91 125.038 125.038 121.069 3.969 18443 9428 1 14 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.501 0.076 18443 9429 1 14 . 1 1 91 91 ALA C C 91 175.940 175.940 174.454 1.486 18443 9430 1 14 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.453 0.009 18443 9431 1 14 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.919 -0.267 18443 9432 1 14 . 1 1 91 91 ALA H H 91 7.788 7.788 7.347 0.441 18443 9433 1 14 . 1 1 92 92 TRP N N 92 120.760 120.760 118.916 1.844 18443 9434 1 14 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.141 -0.001 18443 9435 1 14 . 1 1 92 92 TRP C C 92 175.960 175.960 176.131 -0.171 18443 9436 1 14 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.325 0.526 18443 9437 1 14 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.300 1.373 18443 9438 1 14 . 1 1 92 92 TRP H H 92 8.235 8.235 8.356 -0.121 18443 9439 1 14 . 1 1 93 93 GLU N N 93 124.341 124.341 123.865 0.476 18443 9440 1 14 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.774 0.087 18443 9441 1 14 . 1 1 93 93 GLU C C 93 175.515 175.515 175.137 0.378 18443 9442 1 14 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.290 0.489 18443 9443 1 14 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.789 -0.597 18443 9444 1 14 . 1 1 93 93 GLU H H 93 9.264 9.264 8.920 0.344 18443 9445 1 14 . 1 1 94 94 GLU N N 94 126.987 126.987 127.214 -0.227 18443 9446 1 14 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.677 0.520 18443 9447 1 14 . 1 1 94 94 GLU C C 94 177.604 177.604 176.090 1.514 18443 9448 1 14 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.787 -0.183 18443 9449 1 14 . 1 1 94 94 GLU CB C 94 30.078 30.078 30.104 -0.026 18443 9450 1 14 . 1 1 94 94 GLU H H 94 9.123 9.123 9.018 0.105 18443 9451 1 14 . 1 1 95 95 VAL N N 95 122.004 122.004 127.232 -5.228 18443 9452 1 14 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.328 0.364 18443 9453 1 14 . 1 1 95 95 VAL C C 95 175.719 175.719 173.965 1.754 18443 9454 1 14 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.101 0.234 18443 9455 1 14 . 1 1 95 95 VAL CB C 95 33.265 33.265 33.608 -0.344 18443 9456 1 14 . 1 1 95 95 VAL H H 95 9.099 9.099 9.050 0.049 18443 9457 1 14 . 1 1 96 96 GLY N N 96 107.961 107.961 106.554 1.407 18443 9458 1 14 . 1 1 96 96 GLY C C 96 171.052 171.052 171.432 -0.380 18443 9459 1 14 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.272 0.840 18443 9460 1 14 . 1 1 96 96 GLY H H 96 7.754 7.754 7.473 0.281 18443 9461 1 14 . 1 1 97 97 ARG N N 97 117.467 117.467 123.581 -6.114 18443 9462 1 14 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.510 0.167 18443 9463 1 14 . 1 1 97 97 ARG C C 97 174.403 174.403 174.929 -0.526 18443 9464 1 14 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.435 1.191 18443 9465 1 14 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.017 1.296 18443 9466 1 14 . 1 1 97 97 ARG H H 97 8.489 8.489 8.443 0.046 18443 9467 1 14 . 1 1 98 98 LEU N N 98 122.922 122.922 125.711 -2.789 18443 9468 1 14 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.952 -0.027 18443 9469 1 14 . 1 1 98 98 LEU C C 98 174.871 174.871 175.115 -0.244 18443 9470 1 14 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.141 -0.170 18443 9471 1 14 . 1 1 98 98 LEU CB C 98 46.542 46.542 45.005 1.537 18443 9472 1 14 . 1 1 98 98 LEU H H 98 9.504 9.504 9.319 0.185 18443 9473 1 14 . 1 1 99 99 PHE N N 99 124.212 124.212 124.146 0.066 18443 9474 1 14 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.407 0.241 18443 9475 1 14 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.737 -0.986 18443 9476 1 14 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.585 -1.353 18443 9477 1 14 . 1 1 99 99 PHE H H 99 9.146 9.146 8.800 0.346 18443 9478 1 14 . 1 1 100 100 GLY N N 100 116.438 116.438 112.630 3.808 18443 9479 1 14 . 1 1 100 100 GLY C C 100 173.343 173.343 172.353 0.990 18443 9480 1 14 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.066 -0.630 18443 9481 1 14 . 1 1 100 100 GLY H H 100 8.464 8.464 7.413 1.051 18443 9482 1 14 . 1 1 101 101 SER N N 101 112.597 112.597 117.606 -5.009 18443 9483 1 14 . 1 1 101 101 SER HA H 101 4.616 4.616 4.610 0.006 18443 9484 1 14 . 1 1 101 101 SER C C 101 175.075 175.075 174.388 0.687 18443 9485 1 14 . 1 1 101 101 SER CA C 101 58.288 58.288 57.732 0.556 18443 9486 1 14 . 1 1 101 101 SER CB C 101 64.305 64.305 63.038 1.267 18443 9487 1 14 . 1 1 101 101 SER H H 101 8.366 8.366 8.226 0.140 18443 9488 1 14 . 1 1 102 102 ARG N N 102 119.662 119.662 126.965 -7.303 18443 9489 1 14 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.813 0.118 18443 9490 1 14 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.307 0.513 18443 9491 1 14 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.437 2.005 18443 9492 1 14 . 1 1 102 102 ARG H H 102 7.767 7.767 8.167 -0.400 18443 9493 1 14 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.545 0.006 18443 9494 1 14 . 1 1 103 103 PRO C C 103 177.345 177.345 177.371 -0.026 18443 9495 1 14 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.303 -0.227 18443 9496 1 14 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.593 0.275 18443 9497 1 14 . 1 1 104 104 ARG N N 104 121.205 121.205 123.514 -2.309 18443 9498 1 14 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.945 -0.013 18443 9499 1 14 . 1 1 104 104 ARG C C 104 177.368 177.368 178.093 -0.725 18443 9500 1 14 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.595 1.316 18443 9501 1 14 . 1 1 104 104 ARG CB C 104 30.164 30.164 30.010 0.154 18443 9502 1 14 . 1 1 104 104 ARG H H 104 8.986 8.986 8.858 0.128 18443 9503 1 14 . 1 1 105 105 ALA N N 105 119.508 119.508 120.633 -1.125 18443 9504 1 14 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.182 -0.073 18443 9505 1 14 . 1 1 105 105 ALA C C 105 181.065 181.065 179.610 1.455 18443 9506 1 14 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.721 1.024 18443 9507 1 14 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.981 0.315 18443 9508 1 14 . 1 1 105 105 ALA H H 105 9.033 9.033 8.510 0.523 18443 9509 1 14 . 1 1 106 106 GLU N N 106 117.537 117.537 119.478 -1.941 18443 9510 1 14 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.109 0.020 18443 9511 1 14 . 1 1 106 106 GLU C C 106 178.041 178.041 178.353 -0.312 18443 9512 1 14 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.510 0.283 18443 9513 1 14 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.938 0.296 18443 9514 1 14 . 1 1 106 106 GLU H H 106 7.201 7.201 7.810 -0.609 18443 9515 1 14 . 1 1 107 107 PHE N N 107 120.721 120.721 121.659 -0.938 18443 9516 1 14 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.111 0.073 18443 9517 1 14 . 1 1 107 107 PHE C C 107 177.235 177.235 177.346 -0.111 18443 9518 1 14 . 1 1 107 107 PHE CA C 107 61.743 61.743 62.120 -0.377 18443 9519 1 14 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.284 0.799 18443 9520 1 14 . 1 1 107 107 PHE H H 107 8.555 8.555 8.675 -0.120 18443 9521 1 14 . 1 1 108 108 LEU N N 108 117.219 117.219 117.945 -0.726 18443 9522 1 14 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.946 -0.115 18443 9523 1 14 . 1 1 108 108 LEU C C 108 178.406 178.406 178.754 -0.348 18443 9524 1 14 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.480 1.004 18443 9525 1 14 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.550 0.602 18443 9526 1 14 . 1 1 108 108 LEU H H 108 8.364 8.364 8.776 -0.412 18443 9527 1 14 . 1 1 109 109 LYS N N 109 118.680 118.680 120.987 -2.307 18443 9528 1 14 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.870 0.031 18443 9529 1 14 . 1 1 109 109 LYS C C 109 179.696 179.696 178.809 0.887 18443 9530 1 14 . 1 1 109 109 LYS CA C 109 60.182 60.182 60.027 0.155 18443 9531 1 14 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.138 0.128 18443 9532 1 14 . 1 1 109 109 LYS H H 109 7.330 7.330 7.754 -0.424 18443 9533 1 14 . 1 1 110 110 GLU N N 110 119.802 119.802 119.529 0.273 18443 9534 1 14 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.072 -0.111 18443 9535 1 14 . 1 1 110 110 GLU C C 110 179.903 179.903 178.649 1.254 18443 9536 1 14 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.453 0.671 18443 9537 1 14 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.236 -0.464 18443 9538 1 14 . 1 1 110 110 GLU H H 110 8.077 8.077 7.968 0.109 18443 9539 1 14 . 1 1 111 111 LEU N N 111 120.129 120.129 121.532 -1.403 18443 9540 1 14 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.591 -0.059 18443 9541 1 14 . 1 1 111 111 LEU C C 111 179.792 179.792 178.805 0.987 18443 9542 1 14 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.873 -0.439 18443 9543 1 14 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.130 1.598 18443 9544 1 14 . 1 1 111 111 LEU H H 111 8.341 8.341 8.268 0.073 18443 9545 1 14 . 1 1 112 112 ARG N N 112 118.350 118.350 118.400 -0.050 18443 9546 1 14 . 1 1 112 112 ARG HA H 112 3.896 3.896 4.048 -0.152 18443 9547 1 14 . 1 1 112 112 ARG C C 112 179.446 179.446 179.678 -0.232 18443 9548 1 14 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.747 1.576 18443 9549 1 14 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.596 0.282 18443 9550 1 14 . 1 1 112 112 ARG H H 112 8.166 8.166 8.388 -0.222 18443 9551 1 14 . 1 1 113 113 GLN N N 113 118.358 118.358 119.838 -1.480 18443 9552 1 14 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.017 0.076 18443 9553 1 14 . 1 1 113 113 GLN C C 113 179.137 179.137 178.139 0.998 18443 9554 1 14 . 1 1 113 113 GLN CA C 113 58.831 58.831 59.337 -0.506 18443 9555 1 14 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.786 -0.316 18443 9556 1 14 . 1 1 113 113 GLN H H 113 7.842 7.842 7.733 0.109 18443 9557 1 14 . 1 1 114 114 VAL N N 114 120.174 120.174 120.346 -0.172 18443 9558 1 14 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.643 0.008 18443 9559 1 14 . 1 1 114 114 VAL C C 114 177.853 177.853 177.981 -0.128 18443 9560 1 14 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.549 -0.485 18443 9561 1 14 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.777 0.462 18443 9562 1 14 . 1 1 114 114 VAL H H 114 7.947 7.947 8.734 -0.787 18443 9563 1 14 . 1 1 115 115 CYS N N 115 117.549 117.549 115.299 2.250 18443 9564 1 14 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.385 -0.305 18443 9565 1 14 . 1 1 115 115 CYS C C 115 177.204 177.204 176.099 1.105 18443 9566 1 14 . 1 1 115 115 CYS CA C 115 63.574 63.574 61.007 2.567 18443 9567 1 14 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.315 0.442 18443 9568 1 14 . 1 1 115 115 CYS H H 115 7.801 7.801 8.097 -0.296 18443 9569 1 14 . 1 1 116 116 VAL N N 116 119.053 119.053 121.006 -1.953 18443 9570 1 14 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.782 0.071 18443 9571 1 14 . 1 1 116 116 VAL C C 116 178.840 178.840 177.997 0.843 18443 9572 1 14 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.315 0.127 18443 9573 1 14 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.982 -0.073 18443 9574 1 14 . 1 1 116 116 VAL H H 116 7.465 7.465 7.344 0.121 18443 9575 1 14 . 1 1 117 117 LYS N N 117 121.003 121.003 120.469 0.534 18443 9576 1 14 . 1 1 117 117 LYS HA H 117 4.176 4.176 3.996 0.180 18443 9577 1 14 . 1 1 117 117 LYS C C 117 178.689 178.689 179.577 -0.888 18443 9578 1 14 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.740 -1.185 18443 9579 1 14 . 1 1 117 117 LYS CB C 117 32.718 32.718 32.140 0.578 18443 9580 1 14 . 1 1 117 117 LYS H H 117 7.915 7.915 8.618 -0.703 18443 9581 1 14 . 1 1 118 118 GLY N N 118 106.132 106.132 104.733 1.399 18443 9582 1 14 . 1 1 118 118 GLY C C 118 174.909 174.909 175.430 -0.521 18443 9583 1 14 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.155 -0.191 18443 9584 1 14 . 1 1 118 118 GLY H H 118 8.472 8.472 8.242 0.230 18443 9585 1 14 . 1 1 119 119 GLY N N 119 107.977 107.977 109.492 -1.515 18443 9586 1 14 . 1 1 119 119 GLY C C 119 174.631 174.631 173.406 1.225 18443 9587 1 14 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.993 0.973 18443 9588 1 14 . 1 1 119 119 GLY H H 119 7.791 7.791 7.705 0.086 18443 9589 1 14 . 1 1 120 120 ALA N N 120 123.981 123.981 123.498 0.483 18443 9590 1 14 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.612 -0.199 18443 9591 1 14 . 1 1 120 120 ALA C C 120 178.143 178.143 176.221 1.922 18443 9592 1 14 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.059 0.757 18443 9593 1 14 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.685 -0.583 18443 9594 1 14 . 1 1 120 120 ALA H H 120 8.171 8.171 8.217 -0.046 18443 9595 1 14 . 1 1 121 121 CYS N N 121 117.342 117.342 122.943 -5.601 18443 9596 1 14 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.485 0.025 18443 9597 1 14 . 1 1 121 121 CYS C C 121 175.318 175.318 175.865 -0.547 18443 9598 1 14 . 1 1 121 121 CYS CA C 121 58.974 58.974 56.848 2.126 18443 9599 1 14 . 1 1 121 121 CYS CB C 121 28.109 28.109 25.623 2.486 18443 9600 1 14 . 1 1 121 121 CYS H H 121 8.200 8.200 8.916 -0.716 18443 9601 1 14 . 1 1 122 122 GLY N N 122 110.351 110.351 110.411 -0.060 18443 9602 1 14 . 1 1 122 122 GLY C C 122 174.299 174.299 173.120 1.179 18443 9603 1 14 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.328 0.198 18443 9604 1 14 . 1 1 122 122 GLY H H 122 8.367 8.367 7.942 0.425 18443 9605 1 14 . 1 1 123 123 GLU N N 123 120.589 120.589 119.585 1.004 18443 9606 1 14 . 1 1 123 123 GLU HA H 123 4.307 4.307 3.892 0.415 18443 9607 1 14 . 1 1 123 123 GLU C C 123 177.296 177.296 177.602 -0.306 18443 9608 1 14 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.906 -0.076 18443 9609 1 14 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.730 0.731 18443 9610 1 14 . 1 1 123 123 GLU H H 123 8.280 8.280 7.727 0.553 18443 9611 1 14 . 1 1 124 124 GLY N N 124 109.521 109.521 111.702 -2.181 18443 9612 1 14 . 1 1 124 124 GLY C C 124 174.189 174.189 175.300 -1.111 18443 9613 1 14 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.141 0.399 18443 9614 1 14 . 1 1 124 124 GLY H H 124 8.465 8.465 8.634 -0.169 18443 9615 1 14 . 1 1 125 125 HIS N N 125 118.418 118.418 118.357 0.061 18443 9616 1 14 . 1 1 125 125 HIS CA C 125 55.971 55.971 57.197 -1.226 18443 9617 1 14 . 1 1 125 125 HIS CB C 125 30.073 30.073 29.449 0.624 18443 9618 1 14 . 1 1 125 125 HIS H H 125 8.244 8.244 8.730 -0.486 18443 9619 1 15 . 1 1 2 2 SER HA H 2 4.050 4.050 4.616 -0.566 18443 9620 1 15 . 1 1 2 2 SER CA C 2 57.351 57.351 58.095 -0.744 18443 9621 1 15 . 1 1 2 2 SER CB C 2 63.259 63.259 63.920 -0.661 18443 9622 1 15 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.291 0.011 18443 9623 1 15 . 1 1 3 3 LEU C C 3 175.706 175.706 176.322 -0.616 18443 9624 1 15 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.172 0.114 18443 9625 1 15 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.740 0.180 18443 9626 1 15 . 1 1 4 4 ARG N N 4 127.222 127.222 126.109 1.113 18443 9627 1 15 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.351 -0.033 18443 9628 1 15 . 1 1 4 4 ARG C C 4 173.862 173.862 174.574 -0.712 18443 9629 1 15 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.844 0.136 18443 9630 1 15 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.583 1.743 18443 9631 1 15 . 1 1 4 4 ARG H H 4 8.502 8.502 8.781 -0.279 18443 9632 1 15 . 1 1 5 5 TRP N N 5 123.052 123.052 126.109 -3.057 18443 9633 1 15 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.144 -0.144 18443 9634 1 15 . 1 1 5 5 TRP C C 5 176.309 176.309 175.972 0.337 18443 9635 1 15 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.682 -1.001 18443 9636 1 15 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.015 0.875 18443 9637 1 15 . 1 1 5 5 TRP H H 5 8.184 8.184 8.232 -0.048 18443 9638 1 15 . 1 1 6 6 TYR N N 6 120.957 120.957 122.254 -1.297 18443 9639 1 15 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.050 -0.071 18443 9640 1 15 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.712 1.472 18443 9641 1 15 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.493 -0.156 18443 9642 1 15 . 1 1 6 6 TYR H H 6 8.818 8.818 9.194 -0.376 18443 9643 1 15 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.745 0.165 18443 9644 1 15 . 1 1 7 7 PRO C C 7 177.869 177.869 177.638 0.231 18443 9645 1 15 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.703 -0.125 18443 9646 1 15 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.645 0.300 18443 9647 1 15 . 1 1 8 8 TYR N N 8 122.256 122.256 123.602 -1.346 18443 9648 1 15 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.014 0.029 18443 9649 1 15 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.407 -0.332 18443 9650 1 15 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.119 0.735 18443 9651 1 15 . 1 1 8 8 TYR H H 8 9.408 9.408 9.146 0.262 18443 9652 1 15 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.120 -0.078 18443 9653 1 15 . 1 1 9 9 PRO C C 9 180.472 180.472 178.995 1.477 18443 9654 1 15 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.027 0.359 18443 9655 1 15 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.268 -0.742 18443 9656 1 15 . 1 1 10 10 GLU N N 10 118.047 118.047 118.358 -0.311 18443 9657 1 15 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.072 -0.018 18443 9658 1 15 . 1 1 10 10 GLU C C 10 178.293 178.293 178.177 0.116 18443 9659 1 15 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.904 0.126 18443 9660 1 15 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.376 0.933 18443 9661 1 15 . 1 1 10 10 GLU H H 10 7.093 7.093 7.841 -0.748 18443 9662 1 15 . 1 1 11 11 ALA N N 11 121.740 121.740 123.377 -1.637 18443 9663 1 15 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.035 -0.414 18443 9664 1 15 . 1 1 11 11 ALA C C 11 178.890 178.890 179.334 -0.444 18443 9665 1 15 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.534 -1.015 18443 9666 1 15 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.429 0.616 18443 9667 1 15 . 1 1 11 11 ALA H H 11 8.447 8.447 8.714 -0.267 18443 9668 1 15 . 1 1 12 12 LEU N N 12 115.622 115.622 118.205 -2.583 18443 9669 1 15 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.579 -0.128 18443 9670 1 15 . 1 1 12 12 LEU C C 12 179.331 179.331 179.257 0.074 18443 9671 1 15 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.168 1.355 18443 9672 1 15 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.069 0.376 18443 9673 1 15 . 1 1 12 12 LEU H H 12 7.354 7.354 7.675 -0.321 18443 9674 1 15 . 1 1 13 13 ALA N N 13 120.240 120.240 122.355 -2.115 18443 9675 1 15 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.142 0.033 18443 9676 1 15 . 1 1 13 13 ALA C C 13 181.630 181.630 179.790 1.840 18443 9677 1 15 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.034 0.291 18443 9678 1 15 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.275 -0.120 18443 9679 1 15 . 1 1 13 13 ALA H H 13 7.201 7.201 7.563 -0.362 18443 9680 1 15 . 1 1 14 14 LEU N N 14 120.757 120.757 121.069 -0.312 18443 9681 1 15 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.102 -0.015 18443 9682 1 15 . 1 1 14 14 LEU C C 14 179.635 179.635 178.947 0.688 18443 9683 1 15 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.949 -0.261 18443 9684 1 15 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.723 1.069 18443 9685 1 15 . 1 1 14 14 LEU H H 14 8.202 8.202 8.185 0.017 18443 9686 1 15 . 1 1 15 15 ALA N N 15 121.483 121.483 119.933 1.550 18443 9687 1 15 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.996 -0.122 18443 9688 1 15 . 1 1 15 15 ALA C C 15 180.839 180.839 179.872 0.967 18443 9689 1 15 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.489 0.759 18443 9690 1 15 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.210 1.426 18443 9691 1 15 . 1 1 15 15 ALA H H 15 8.594 8.594 8.208 0.386 18443 9692 1 15 . 1 1 16 16 GLN N N 16 117.131 117.131 120.306 -3.175 18443 9693 1 15 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.182 -0.213 18443 9694 1 15 . 1 1 16 16 GLN C C 16 178.701 178.701 178.497 0.204 18443 9695 1 15 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.884 0.269 18443 9696 1 15 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.624 0.255 18443 9697 1 15 . 1 1 16 16 GLN H H 16 8.609 8.609 8.116 0.493 18443 9698 1 15 . 1 1 17 17 ALA N N 17 120.088 120.088 120.874 -0.786 18443 9699 1 15 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.166 -0.047 18443 9700 1 15 . 1 1 17 17 ALA C C 17 179.305 179.305 178.412 0.893 18443 9701 1 15 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.996 0.623 18443 9702 1 15 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.742 -0.479 18443 9703 1 15 . 1 1 17 17 ALA H H 17 7.635 7.635 8.264 -0.629 18443 9704 1 15 . 1 1 18 18 HIS N N 18 111.636 111.636 113.395 -1.759 18443 9705 1 15 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.713 0.099 18443 9706 1 15 . 1 1 18 18 HIS C C 18 175.021 175.021 175.374 -0.353 18443 9707 1 15 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.736 -0.200 18443 9708 1 15 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.035 0.176 18443 9709 1 15 . 1 1 18 18 HIS H H 18 7.728 7.728 7.734 -0.006 18443 9710 1 15 . 1 1 19 19 GLY N N 19 111.899 111.899 108.901 2.998 18443 9711 1 15 . 1 1 19 19 GLY C C 19 175.071 175.071 174.364 0.707 18443 9712 1 15 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.898 1.757 18443 9713 1 15 . 1 1 19 19 GLY H H 19 7.886 7.886 7.891 -0.005 18443 9714 1 15 . 1 1 20 20 ARG N N 20 118.442 118.442 118.898 -0.456 18443 9715 1 15 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.527 0.084 18443 9716 1 15 . 1 1 20 20 ARG C C 20 174.586 174.586 175.285 -0.699 18443 9717 1 15 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.884 0.628 18443 9718 1 15 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.540 1.735 18443 9719 1 15 . 1 1 20 20 ARG H H 20 8.239 8.239 8.147 0.092 18443 9720 1 15 . 1 1 21 21 MET N N 21 115.457 115.457 117.749 -2.292 18443 9721 1 15 . 1 1 21 21 MET HA H 21 4.870 4.870 4.620 0.250 18443 9722 1 15 . 1 1 21 21 MET C C 21 175.707 175.707 175.142 0.565 18443 9723 1 15 . 1 1 21 21 MET CA C 21 56.111 56.111 55.306 0.805 18443 9724 1 15 . 1 1 21 21 MET CB C 21 35.717 35.717 34.736 0.981 18443 9725 1 15 . 1 1 21 21 MET H H 21 7.193 7.193 8.735 -1.542 18443 9726 1 15 . 1 1 22 22 VAL N N 22 119.607 119.607 120.210 -0.603 18443 9727 1 15 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.737 0.573 18443 9728 1 15 . 1 1 22 22 VAL C C 22 176.506 176.506 174.794 1.712 18443 9729 1 15 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.463 -1.034 18443 9730 1 15 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.873 2.785 18443 9731 1 15 . 1 1 22 22 VAL H H 22 9.034 9.034 9.229 -0.195 18443 9732 1 15 . 1 1 23 23 MET N N 23 126.309 126.309 128.435 -2.126 18443 9733 1 15 . 1 1 23 23 MET HA H 23 4.878 4.878 5.161 -0.283 18443 9734 1 15 . 1 1 23 23 MET C C 23 173.960 173.960 174.482 -0.522 18443 9735 1 15 . 1 1 23 23 MET CA C 23 54.184 54.184 54.246 -0.062 18443 9736 1 15 . 1 1 23 23 MET CB C 23 36.920 36.920 34.632 2.288 18443 9737 1 15 . 1 1 23 23 MET H H 23 8.704 8.704 8.973 -0.269 18443 9738 1 15 . 1 1 24 24 VAL N N 24 128.959 128.959 129.030 -0.071 18443 9739 1 15 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.966 0.372 18443 9740 1 15 . 1 1 24 24 VAL C C 24 174.245 174.245 174.035 0.210 18443 9741 1 15 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.791 -0.038 18443 9742 1 15 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.500 0.321 18443 9743 1 15 . 1 1 24 24 VAL H H 24 9.908 9.908 9.236 0.672 18443 9744 1 15 . 1 1 25 25 TYR N N 25 129.726 129.726 130.678 -0.952 18443 9745 1 15 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.928 0.299 18443 9746 1 15 . 1 1 25 25 TYR C C 25 173.393 173.393 173.702 -0.309 18443 9747 1 15 . 1 1 25 25 TYR CA C 25 53.083 53.083 56.110 -3.027 18443 9748 1 15 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.233 0.285 18443 9749 1 15 . 1 1 25 25 TYR H H 25 9.031 9.031 8.749 0.282 18443 9750 1 15 . 1 1 26 26 PHE N N 26 126.719 126.719 127.532 -0.813 18443 9751 1 15 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.386 0.709 18443 9752 1 15 . 1 1 26 26 PHE C C 26 174.151 174.151 174.273 -0.122 18443 9753 1 15 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.505 -0.067 18443 9754 1 15 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.275 0.349 18443 9755 1 15 . 1 1 26 26 PHE H H 26 9.162 9.162 8.574 0.588 18443 9756 1 15 . 1 1 27 27 HIS N N 27 118.311 118.311 119.361 -1.050 18443 9757 1 15 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.255 -0.093 18443 9758 1 15 . 1 1 27 27 HIS C C 27 173.044 173.044 174.916 -1.872 18443 9759 1 15 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.275 0.185 18443 9760 1 15 . 1 1 27 27 HIS CB C 27 35.088 35.088 31.889 3.199 18443 9761 1 15 . 1 1 27 27 HIS H H 27 8.168 8.168 8.447 -0.279 18443 9762 1 15 . 1 1 28 28 SER N N 28 112.150 112.150 118.743 -6.593 18443 9763 1 15 . 1 1 28 28 SER HA H 28 4.790 4.790 4.331 0.459 18443 9764 1 15 . 1 1 28 28 SER C C 28 176.815 176.815 175.772 1.043 18443 9765 1 15 . 1 1 28 28 SER CA C 28 56.260 56.260 58.675 -2.415 18443 9766 1 15 . 1 1 28 28 SER CB C 28 65.470 65.470 64.037 1.433 18443 9767 1 15 . 1 1 28 28 SER H H 28 7.545 7.545 8.624 -1.079 18443 9768 1 15 . 1 1 29 29 GLU N N 29 130.603 130.603 120.444 10.159 18443 9769 1 15 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.086 0.014 18443 9770 1 15 . 1 1 29 29 GLU C C 29 176.980 176.980 176.208 0.772 18443 9771 1 15 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.805 -0.135 18443 9772 1 15 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.089 0.550 18443 9773 1 15 . 1 1 29 29 GLU H H 29 9.681 9.681 8.841 0.840 18443 9774 1 15 . 1 1 30 30 HIS N N 30 114.752 114.752 116.250 -1.498 18443 9775 1 15 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.697 -0.003 18443 9776 1 15 . 1 1 30 30 HIS C C 30 173.679 173.679 175.490 -1.811 18443 9777 1 15 . 1 1 30 30 HIS CA C 30 54.393 54.393 55.988 -1.595 18443 9778 1 15 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.634 -1.262 18443 9779 1 15 . 1 1 30 30 HIS H H 30 8.226 8.226 7.813 0.413 18443 9780 1 15 . 1 1 31 31 CYS N N 31 124.685 124.685 119.306 5.379 18443 9781 1 15 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.345 0.601 18443 9782 1 15 . 1 1 31 31 CYS C C 31 175.771 175.771 174.211 1.560 18443 9783 1 15 . 1 1 31 31 CYS CA C 31 56.116 56.116 57.895 -1.779 18443 9784 1 15 . 1 1 31 31 CYS CB C 31 31.415 31.415 26.043 5.372 18443 9785 1 15 . 1 1 31 31 CYS H H 31 7.091 7.091 8.177 -1.086 18443 9786 1 15 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.329 0.005 18443 9787 1 15 . 1 1 32 32 PRO C C 32 179.352 179.352 178.287 1.065 18443 9788 1 15 . 1 1 32 32 PRO CA C 32 64.193 64.193 64.917 -0.724 18443 9789 1 15 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.075 -0.003 18443 9790 1 15 . 1 1 33 33 TYR N N 33 125.092 125.092 120.927 4.165 18443 9791 1 15 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.301 0.194 18443 9792 1 15 . 1 1 33 33 TYR C C 33 179.457 179.457 177.244 2.213 18443 9793 1 15 . 1 1 33 33 TYR CA C 33 60.880 60.880 61.217 -0.337 18443 9794 1 15 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.447 -0.102 18443 9795 1 15 . 1 1 33 33 TYR H H 33 8.621 8.621 8.555 0.066 18443 9796 1 15 . 1 1 34 34 CYS N N 34 127.272 127.272 114.102 13.170 18443 9797 1 15 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.428 -0.093 18443 9798 1 15 . 1 1 34 34 CYS C C 34 176.672 176.672 176.080 0.592 18443 9799 1 15 . 1 1 34 34 CYS CA C 34 64.159 64.159 58.709 5.450 18443 9800 1 15 . 1 1 34 34 CYS CB C 34 28.877 28.877 28.239 0.638 18443 9801 1 15 . 1 1 34 34 CYS H H 34 9.440 9.440 8.256 1.184 18443 9802 1 15 . 1 1 35 35 GLN N N 35 118.373 118.373 121.409 -3.036 18443 9803 1 15 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.902 0.157 18443 9804 1 15 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.639 0.735 18443 9805 1 15 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.510 0.066 18443 9806 1 15 . 1 1 35 35 GLN H H 35 7.866 7.866 7.999 -0.133 18443 9807 1 15 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.212 0.034 18443 9808 1 15 . 1 1 36 36 GLN C C 36 178.881 178.881 178.279 0.602 18443 9809 1 15 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.673 0.953 18443 9810 1 15 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.188 0.417 18443 9811 1 15 . 1 1 37 37 MET N N 37 117.759 117.759 118.357 -0.598 18443 9812 1 15 . 1 1 37 37 MET HA H 37 4.488 4.488 4.108 0.380 18443 9813 1 15 . 1 1 37 37 MET C C 37 179.838 179.838 178.334 1.504 18443 9814 1 15 . 1 1 37 37 MET CA C 37 57.229 57.229 58.148 -0.919 18443 9815 1 15 . 1 1 37 37 MET CB C 37 29.983 29.983 31.739 -1.756 18443 9816 1 15 . 1 1 37 37 MET H H 37 8.125 8.125 7.613 0.512 18443 9817 1 15 . 1 1 38 38 ASN N N 38 122.249 122.249 118.480 3.769 18443 9818 1 15 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.410 -0.048 18443 9819 1 15 . 1 1 38 38 ASN C C 38 177.355 177.355 177.807 -0.452 18443 9820 1 15 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.747 -0.312 18443 9821 1 15 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.613 -1.101 18443 9822 1 15 . 1 1 38 38 ASN H H 38 9.245 9.245 8.613 0.632 18443 9823 1 15 . 1 1 39 39 THR N N 39 113.554 113.554 115.251 -1.697 18443 9824 1 15 . 1 1 39 39 THR HA H 39 3.853 3.853 3.898 -0.045 18443 9825 1 15 . 1 1 39 39 THR C C 39 176.277 176.277 175.486 0.791 18443 9826 1 15 . 1 1 39 39 THR CA C 39 65.843 65.843 65.764 0.079 18443 9827 1 15 . 1 1 39 39 THR CB C 39 69.595 69.595 68.811 0.784 18443 9828 1 15 . 1 1 39 39 THR H H 39 8.034 8.034 8.039 -0.005 18443 9829 1 15 . 1 1 40 40 PHE N N 40 116.394 116.394 117.776 -1.382 18443 9830 1 15 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.458 0.362 18443 9831 1 15 . 1 1 40 40 PHE C C 40 176.255 176.255 177.289 -1.034 18443 9832 1 15 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.727 -1.012 18443 9833 1 15 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.299 1.586 18443 9834 1 15 . 1 1 40 40 PHE H H 40 8.309 8.309 8.087 0.222 18443 9835 1 15 . 1 1 41 41 VAL N N 41 117.246 117.246 118.819 -1.573 18443 9836 1 15 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.731 0.575 18443 9837 1 15 . 1 1 41 41 VAL C C 41 176.704 176.704 177.668 -0.964 18443 9838 1 15 . 1 1 41 41 VAL CA C 41 65.839 65.839 65.897 -0.058 18443 9839 1 15 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.467 2.172 18443 9840 1 15 . 1 1 41 41 VAL H H 41 7.678 7.678 7.565 0.113 18443 9841 1 15 . 1 1 42 42 LEU N N 42 117.179 117.179 117.988 -0.809 18443 9842 1 15 . 1 1 42 42 LEU HA H 42 3.948 3.948 3.957 -0.009 18443 9843 1 15 . 1 1 42 42 LEU C C 42 175.837 175.837 178.532 -2.695 18443 9844 1 15 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.778 0.518 18443 9845 1 15 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.366 -1.251 18443 9846 1 15 . 1 1 42 42 LEU H H 42 8.882 8.882 8.391 0.491 18443 9847 1 15 . 1 1 43 43 SER N N 43 105.494 105.494 114.315 -8.821 18443 9848 1 15 . 1 1 43 43 SER HA H 43 4.408 4.408 4.362 0.046 18443 9849 1 15 . 1 1 43 43 SER C C 43 175.397 175.397 174.407 0.990 18443 9850 1 15 . 1 1 43 43 SER CA C 43 57.144 57.144 58.709 -1.565 18443 9851 1 15 . 1 1 43 43 SER CB C 43 64.117 64.117 62.626 1.491 18443 9852 1 15 . 1 1 43 43 SER H H 43 6.785 6.785 7.498 -0.713 18443 9853 1 15 . 1 1 44 44 ASP N N 44 126.617 126.617 124.667 1.950 18443 9854 1 15 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.540 0.271 18443 9855 1 15 . 1 1 44 44 ASP C C 44 175.644 175.644 175.864 -0.220 18443 9856 1 15 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.682 -1.010 18443 9857 1 15 . 1 1 44 44 ASP CB C 44 43.673 43.673 41.959 1.714 18443 9858 1 15 . 1 1 44 44 ASP H H 44 7.443 7.443 7.414 0.029 18443 9859 1 15 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.190 0.162 18443 9860 1 15 . 1 1 45 45 PRO C C 45 178.792 178.792 178.401 0.391 18443 9861 1 15 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.586 0.173 18443 9862 1 15 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.930 0.409 18443 9863 1 15 . 1 1 46 46 GLY N N 46 107.270 107.270 104.853 2.417 18443 9864 1 15 . 1 1 46 46 GLY C C 46 176.799 176.799 176.463 0.336 18443 9865 1 15 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.905 0.123 18443 9866 1 15 . 1 1 46 46 GLY H H 46 8.161 8.161 8.104 0.057 18443 9867 1 15 . 1 1 47 47 VAL N N 47 124.473 124.473 122.471 2.002 18443 9868 1 15 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.688 -0.093 18443 9869 1 15 . 1 1 47 47 VAL C C 47 177.886 177.886 178.164 -0.278 18443 9870 1 15 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.945 0.555 18443 9871 1 15 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.069 1.356 18443 9872 1 15 . 1 1 47 47 VAL H H 47 8.344 8.344 8.158 0.186 18443 9873 1 15 . 1 1 48 48 SER N N 48 113.807 113.807 116.195 -2.388 18443 9874 1 15 . 1 1 48 48 SER HA H 48 4.053 4.053 4.147 -0.094 18443 9875 1 15 . 1 1 48 48 SER C C 48 176.889 176.889 177.028 -0.139 18443 9876 1 15 . 1 1 48 48 SER CA C 48 62.777 62.777 62.108 0.669 18443 9877 1 15 . 1 1 48 48 SER CB C 48 62.884 62.884 62.706 0.178 18443 9878 1 15 . 1 1 48 48 SER H H 48 9.023 9.023 8.687 0.336 18443 9879 1 15 . 1 1 49 49 ARG N N 49 119.875 119.875 121.134 -1.259 18443 9880 1 15 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.317 -0.153 18443 9881 1 15 . 1 1 49 49 ARG C C 49 179.398 179.398 178.985 0.413 18443 9882 1 15 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.004 0.554 18443 9883 1 15 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.113 0.134 18443 9884 1 15 . 1 1 49 49 ARG H H 49 8.081 8.081 8.141 -0.060 18443 9885 1 15 . 1 1 50 50 LEU N N 50 121.717 121.717 120.048 1.669 18443 9886 1 15 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.068 0.311 18443 9887 1 15 . 1 1 50 50 LEU C C 50 179.482 179.482 178.737 0.745 18443 9888 1 15 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.814 0.392 18443 9889 1 15 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.547 0.288 18443 9890 1 15 . 1 1 50 50 LEU H H 50 7.291 7.291 7.541 -0.250 18443 9891 1 15 . 1 1 51 51 LEU N N 51 118.677 118.677 118.323 0.354 18443 9892 1 15 . 1 1 51 51 LEU HA H 51 4.290 4.290 3.992 0.298 18443 9893 1 15 . 1 1 51 51 LEU C C 51 179.233 179.233 179.370 -0.137 18443 9894 1 15 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.199 1.144 18443 9895 1 15 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.643 1.743 18443 9896 1 15 . 1 1 51 51 LEU H H 51 8.358 8.358 7.284 1.074 18443 9897 1 15 . 1 1 52 52 GLU N N 52 116.437 116.437 118.592 -2.155 18443 9898 1 15 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.021 0.147 18443 9899 1 15 . 1 1 52 52 GLU C C 52 178.898 178.898 178.610 0.288 18443 9900 1 15 . 1 1 52 52 GLU CA C 52 58.993 58.993 58.953 0.040 18443 9901 1 15 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.395 0.810 18443 9902 1 15 . 1 1 52 52 GLU H H 52 8.715 8.715 8.579 0.136 18443 9903 1 15 . 1 1 53 53 ALA N N 53 119.092 119.092 120.941 -1.849 18443 9904 1 15 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.177 0.250 18443 9905 1 15 . 1 1 53 53 ALA C C 53 180.298 180.298 178.045 2.253 18443 9906 1 15 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.869 -0.306 18443 9907 1 15 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.335 0.883 18443 9908 1 15 . 1 1 53 53 ALA H H 53 7.782 7.782 7.789 -0.007 18443 9909 1 15 . 1 1 54 54 ARG N N 54 111.562 111.562 113.183 -1.621 18443 9910 1 15 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.482 0.173 18443 9911 1 15 . 1 1 54 54 ARG C C 54 175.560 175.560 174.395 1.165 18443 9912 1 15 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.309 -0.278 18443 9913 1 15 . 1 1 54 54 ARG CB C 54 33.337 33.337 29.998 3.339 18443 9914 1 15 . 1 1 54 54 ARG H H 54 7.740 7.740 7.859 -0.119 18443 9915 1 15 . 1 1 55 55 PHE N N 55 117.038 117.038 120.811 -3.773 18443 9916 1 15 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.632 0.030 18443 9917 1 15 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.956 -0.128 18443 9918 1 15 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.819 0.463 18443 9919 1 15 . 1 1 55 55 PHE H H 55 8.555 8.555 8.382 0.173 18443 9920 1 15 . 1 1 56 56 VAL N N 56 121.038 121.038 122.622 -1.584 18443 9921 1 15 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.328 -0.003 18443 9922 1 15 . 1 1 56 56 VAL C C 56 175.305 175.305 174.976 0.329 18443 9923 1 15 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.448 1.498 18443 9924 1 15 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.930 1.575 18443 9925 1 15 . 1 1 56 56 VAL H H 56 8.817 8.817 9.405 -0.588 18443 9926 1 15 . 1 1 57 57 VAL N N 57 125.781 125.781 128.673 -2.892 18443 9927 1 15 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.526 0.450 18443 9928 1 15 . 1 1 57 57 VAL C C 57 174.535 174.535 174.691 -0.156 18443 9929 1 15 . 1 1 57 57 VAL CA C 57 61.390 61.390 60.971 0.419 18443 9930 1 15 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.102 0.834 18443 9931 1 15 . 1 1 57 57 VAL H H 57 9.498 9.498 8.672 0.826 18443 9932 1 15 . 1 1 58 58 ALA N N 58 128.137 128.137 130.966 -2.829 18443 9933 1 15 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.484 0.137 18443 9934 1 15 . 1 1 58 58 ALA C C 58 175.953 175.953 177.113 -1.160 18443 9935 1 15 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.624 -0.860 18443 9936 1 15 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.497 1.218 18443 9937 1 15 . 1 1 58 58 ALA H H 58 9.062 9.062 9.003 0.059 18443 9938 1 15 . 1 1 59 59 SER N N 59 117.343 117.343 121.310 -3.967 18443 9939 1 15 . 1 1 59 59 SER HA H 59 4.693 4.693 4.815 -0.122 18443 9940 1 15 . 1 1 59 59 SER C C 59 174.092 174.092 174.234 -0.142 18443 9941 1 15 . 1 1 59 59 SER CA C 59 56.135 56.135 57.443 -1.308 18443 9942 1 15 . 1 1 59 59 SER CB C 59 63.731 63.731 63.102 0.629 18443 9943 1 15 . 1 1 59 59 SER H H 59 8.676 8.676 8.928 -0.252 18443 9944 1 15 . 1 1 60 60 VAL N N 60 129.829 129.829 128.418 1.411 18443 9945 1 15 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.219 -0.290 18443 9946 1 15 . 1 1 60 60 VAL C C 60 172.999 172.999 174.766 -1.767 18443 9947 1 15 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.613 -0.091 18443 9948 1 15 . 1 1 60 60 VAL CB C 60 33.335 33.335 31.797 1.538 18443 9949 1 15 . 1 1 60 60 VAL H H 60 8.716 8.716 8.307 0.409 18443 9950 1 15 . 1 1 61 61 SER N N 61 119.457 119.457 122.759 -3.302 18443 9951 1 15 . 1 1 61 61 SER HA H 61 4.211 4.211 4.110 0.101 18443 9952 1 15 . 1 1 61 61 SER C C 61 178.511 178.511 175.529 2.982 18443 9953 1 15 . 1 1 61 61 SER CA C 61 55.404 55.404 57.023 -1.619 18443 9954 1 15 . 1 1 61 61 SER CB C 61 63.080 63.080 63.630 -0.549 18443 9955 1 15 . 1 1 61 61 SER H H 61 8.250 8.250 8.368 -0.118 18443 9956 1 15 . 1 1 62 62 VAL N N 62 123.331 123.331 124.771 -1.440 18443 9957 1 15 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.849 0.192 18443 9958 1 15 . 1 1 62 62 VAL C C 62 174.434 174.434 176.402 -1.968 18443 9959 1 15 . 1 1 62 62 VAL CA C 62 62.777 62.777 65.037 -2.260 18443 9960 1 15 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.514 -1.647 18443 9961 1 15 . 1 1 62 62 VAL H H 62 8.954 8.954 7.920 1.034 18443 9962 1 15 . 1 1 63 63 ASP N N 63 119.953 119.953 117.095 2.858 18443 9963 1 15 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.404 0.315 18443 9964 1 15 . 1 1 63 63 ASP C C 63 175.930 175.930 176.560 -0.630 18443 9965 1 15 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.426 -0.496 18443 9966 1 15 . 1 1 63 63 ASP CB C 63 41.218 41.218 40.801 0.417 18443 9967 1 15 . 1 1 63 63 ASP H H 63 7.966 7.966 8.591 -0.625 18443 9968 1 15 . 1 1 64 64 THR N N 64 108.822 108.822 112.166 -3.344 18443 9969 1 15 . 1 1 64 64 THR HA H 64 4.963 4.963 4.799 0.164 18443 9970 1 15 . 1 1 64 64 THR C C 64 173.012 173.012 174.007 -0.995 18443 9971 1 15 . 1 1 64 64 THR CA C 64 58.176 58.176 58.772 -0.596 18443 9972 1 15 . 1 1 64 64 THR CB C 64 70.326 70.326 70.647 -0.321 18443 9973 1 15 . 1 1 64 64 THR H H 64 7.315 7.315 7.398 -0.083 18443 9974 1 15 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.342 -0.054 18443 9975 1 15 . 1 1 65 65 PRO C C 65 180.307 180.307 178.700 1.607 18443 9976 1 15 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.608 0.233 18443 9977 1 15 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.786 0.175 18443 9978 1 15 . 1 1 66 66 GLU N N 66 118.398 118.398 118.873 -0.475 18443 9979 1 15 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.082 0.079 18443 9980 1 15 . 1 1 66 66 GLU C C 66 179.940 179.940 179.004 0.936 18443 9981 1 15 . 1 1 66 66 GLU CA C 66 59.939 59.939 60.116 -0.177 18443 9982 1 15 . 1 1 66 66 GLU CB C 66 28.871 28.871 28.423 0.448 18443 9983 1 15 . 1 1 66 66 GLU H H 66 9.304 9.304 8.877 0.427 18443 9984 1 15 . 1 1 67 67 GLY N N 67 110.592 110.592 106.936 3.656 18443 9985 1 15 . 1 1 67 67 GLY C C 67 176.529 176.529 175.915 0.614 18443 9986 1 15 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.445 0.419 18443 9987 1 15 . 1 1 67 67 GLY H H 67 8.172 8.172 7.739 0.433 18443 9988 1 15 . 1 1 68 68 GLN N N 68 121.948 121.948 121.835 0.113 18443 9989 1 15 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.999 0.014 18443 9990 1 15 . 1 1 68 68 GLN C C 68 179.366 179.366 178.075 1.291 18443 9991 1 15 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.869 0.322 18443 9992 1 15 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.290 -0.356 18443 9993 1 15 . 1 1 68 68 GLN H H 68 8.504 8.504 8.440 0.064 18443 9994 1 15 . 1 1 69 69 GLU N N 69 120.280 120.280 121.101 -0.821 18443 9995 1 15 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.109 0.061 18443 9996 1 15 . 1 1 69 69 GLU C C 69 179.360 179.360 178.894 0.466 18443 9997 1 15 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.749 0.741 18443 9998 1 15 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.059 -0.128 18443 9999 1 15 . 1 1 69 69 GLU H H 69 7.815 7.815 7.957 -0.142 18443 10000 1 15 . 1 1 70 70 LEU N N 70 121.041 121.041 121.030 0.011 18443 10001 1 15 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.082 0.034 18443 10002 1 15 . 1 1 70 70 LEU C C 70 178.961 178.961 179.110 -0.149 18443 10003 1 15 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.879 0.314 18443 10004 1 15 . 1 1 70 70 LEU CB C 70 42.727 42.727 40.778 1.949 18443 10005 1 15 . 1 1 70 70 LEU H H 70 7.758 7.758 7.852 -0.094 18443 10006 1 15 . 1 1 71 71 ALA N N 71 122.094 122.094 121.633 0.461 18443 10007 1 15 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.864 -0.291 18443 10008 1 15 . 1 1 71 71 ALA C C 71 179.966 179.966 179.894 0.072 18443 10009 1 15 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.097 -0.059 18443 10010 1 15 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.417 -0.998 18443 10011 1 15 . 1 1 71 71 ALA H H 71 8.745 8.745 8.580 0.165 18443 10012 1 15 . 1 1 72 72 ARG N N 72 118.463 118.463 118.332 0.131 18443 10013 1 15 . 1 1 72 72 ARG HA H 72 4.121 4.121 3.986 0.135 18443 10014 1 15 . 1 1 72 72 ARG C C 72 180.905 180.905 179.042 1.863 18443 10015 1 15 . 1 1 72 72 ARG CA C 72 59.524 59.524 59.380 0.143 18443 10016 1 15 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.090 0.212 18443 10017 1 15 . 1 1 72 72 ARG H H 72 7.862 7.862 7.712 0.150 18443 10018 1 15 . 1 1 73 73 ARG N N 73 122.223 122.223 120.008 2.215 18443 10019 1 15 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.031 -0.073 18443 10020 1 15 . 1 1 73 73 ARG C C 73 178.562 178.562 178.048 0.514 18443 10021 1 15 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.758 0.780 18443 10022 1 15 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.271 -0.080 18443 10023 1 15 . 1 1 73 73 ARG H H 73 8.189 8.189 8.241 -0.052 18443 10024 1 15 . 1 1 74 74 TYR N N 74 114.319 114.319 115.867 -1.548 18443 10025 1 15 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.473 -0.072 18443 10026 1 15 . 1 1 74 74 TYR C C 74 174.321 174.321 175.334 -1.013 18443 10027 1 15 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.021 0.763 18443 10028 1 15 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.934 0.330 18443 10029 1 15 . 1 1 74 74 TYR H H 74 8.047 8.047 8.333 -0.286 18443 10030 1 15 . 1 1 75 75 ARG N N 75 119.572 119.572 115.848 3.724 18443 10031 1 15 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.960 -0.091 18443 10032 1 15 . 1 1 75 75 ARG C C 75 175.880 175.880 174.623 1.257 18443 10033 1 15 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.760 0.080 18443 10034 1 15 . 1 1 75 75 ARG CB C 75 26.508 26.508 26.930 -0.422 18443 10035 1 15 . 1 1 75 75 ARG H H 75 7.865 7.865 7.628 0.237 18443 10036 1 15 . 1 1 76 76 VAL N N 76 119.885 119.885 119.821 0.064 18443 10037 1 15 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.192 -0.401 18443 10038 1 15 . 1 1 76 76 VAL C C 76 176.374 176.374 173.537 2.837 18443 10039 1 15 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.827 1.929 18443 10040 1 15 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.859 -1.946 18443 10041 1 15 . 1 1 76 76 VAL H H 76 8.024 8.024 7.933 0.091 18443 10042 1 15 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.574 -0.177 18443 10043 1 15 . 1 1 77 77 PRO C C 77 175.829 175.829 176.566 -0.737 18443 10044 1 15 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.075 1.387 18443 10045 1 15 . 1 1 77 77 PRO CB C 77 31.757 31.757 31.649 0.108 18443 10046 1 15 . 1 1 78 78 GLY N N 78 105.453 105.453 111.772 -6.319 18443 10047 1 15 . 1 1 78 78 GLY C C 78 171.794 171.794 173.482 -1.688 18443 10048 1 15 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.990 -0.381 18443 10049 1 15 . 1 1 78 78 GLY H H 78 6.725 6.725 8.633 -1.908 18443 10050 1 15 . 1 1 79 79 THR N N 79 110.056 110.056 115.169 -5.113 18443 10051 1 15 . 1 1 79 79 THR HA H 79 4.886 4.886 4.708 0.178 18443 10052 1 15 . 1 1 79 79 THR CA C 79 57.957 57.957 59.481 -1.524 18443 10053 1 15 . 1 1 79 79 THR CB C 79 70.685 70.685 69.080 1.605 18443 10054 1 15 . 1 1 79 79 THR H H 79 8.771 8.771 8.106 0.665 18443 10055 1 15 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.542 0.537 18443 10056 1 15 . 1 1 80 80 PRO C C 80 176.536 176.536 175.613 0.923 18443 10057 1 15 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.755 0.804 18443 10058 1 15 . 1 1 80 80 PRO CB C 80 35.671 35.671 33.688 1.983 18443 10059 1 15 . 1 1 81 81 THR N N 81 116.755 116.755 113.853 2.902 18443 10060 1 15 . 1 1 81 81 THR HA H 81 5.425 5.425 5.114 0.311 18443 10061 1 15 . 1 1 81 81 THR C C 81 171.960 171.960 172.892 -0.932 18443 10062 1 15 . 1 1 81 81 THR CA C 81 63.540 63.540 61.611 1.929 18443 10063 1 15 . 1 1 81 81 THR CB C 81 71.840 71.840 72.373 -0.533 18443 10064 1 15 . 1 1 81 81 THR H H 81 8.176 8.176 7.609 0.567 18443 10065 1 15 . 1 1 82 82 PHE N N 82 126.263 126.263 124.295 1.968 18443 10066 1 15 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.213 0.423 18443 10067 1 15 . 1 1 82 82 PHE C C 82 174.738 174.738 174.040 0.698 18443 10068 1 15 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.181 -0.411 18443 10069 1 15 . 1 1 82 82 PHE CB C 82 41.280 41.280 41.372 -0.092 18443 10070 1 15 . 1 1 82 82 PHE H H 82 9.540 9.540 9.440 0.100 18443 10071 1 15 . 1 1 83 83 VAL N N 83 123.703 123.703 122.647 1.056 18443 10072 1 15 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.809 -0.268 18443 10073 1 15 . 1 1 83 83 VAL C C 83 174.159 174.159 174.538 -0.379 18443 10074 1 15 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.285 0.744 18443 10075 1 15 . 1 1 83 83 VAL CB C 83 35.107 35.107 34.013 1.094 18443 10076 1 15 . 1 1 83 83 VAL H H 83 9.208 9.208 8.949 0.259 18443 10077 1 15 . 1 1 84 84 PHE N N 84 126.003 126.003 126.681 -0.678 18443 10078 1 15 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.460 0.350 18443 10079 1 15 . 1 1 84 84 PHE C C 84 175.481 175.481 175.076 0.405 18443 10080 1 15 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.423 0.830 18443 10081 1 15 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.673 1.139 18443 10082 1 15 . 1 1 84 84 PHE H H 84 8.878 8.878 8.962 -0.084 18443 10083 1 15 . 1 1 85 85 LEU N N 85 123.597 123.597 123.757 -0.160 18443 10084 1 15 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.662 0.232 18443 10085 1 15 . 1 1 85 85 LEU C C 85 176.528 176.528 176.177 0.351 18443 10086 1 15 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.568 -0.198 18443 10087 1 15 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.765 3.434 18443 10088 1 15 . 1 1 85 85 LEU H H 85 9.604 9.604 9.434 0.170 18443 10089 1 15 . 1 1 86 86 VAL N N 86 118.274 118.274 123.231 -4.957 18443 10090 1 15 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.710 0.508 18443 10091 1 15 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.463 -1.902 18443 10092 1 15 . 1 1 86 86 VAL CB C 86 35.493 35.493 34.249 1.244 18443 10093 1 15 . 1 1 86 86 VAL H H 86 9.457 9.457 9.322 0.135 18443 10094 1 15 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.570 -0.622 18443 10095 1 15 . 1 1 87 87 PRO C C 87 177.132 177.132 176.024 1.108 18443 10096 1 15 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.859 0.504 18443 10097 1 15 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.942 -0.284 18443 10098 1 15 . 1 1 88 88 LYS N N 88 124.554 124.554 124.564 -0.010 18443 10099 1 15 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.240 0.039 18443 10100 1 15 . 1 1 88 88 LYS C C 88 175.739 175.739 176.016 -0.277 18443 10101 1 15 . 1 1 88 88 LYS CA C 88 55.650 55.650 56.362 -0.712 18443 10102 1 15 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.714 -0.016 18443 10103 1 15 . 1 1 88 88 LYS H H 88 8.119 8.119 8.417 -0.298 18443 10104 1 15 . 1 1 89 89 ALA N N 89 130.786 130.786 127.814 2.972 18443 10105 1 15 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.997 -0.027 18443 10106 1 15 . 1 1 89 89 ALA C C 89 176.947 176.947 176.911 0.036 18443 10107 1 15 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.951 -0.761 18443 10108 1 15 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.896 -0.517 18443 10109 1 15 . 1 1 89 89 ALA H H 89 9.128 9.128 8.772 0.356 18443 10110 1 15 . 1 1 90 90 GLY N N 90 106.698 106.698 106.668 0.030 18443 10111 1 15 . 1 1 90 90 GLY C C 90 173.352 173.352 173.005 0.347 18443 10112 1 15 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.156 0.430 18443 10113 1 15 . 1 1 90 90 GLY H H 90 8.393 8.393 8.127 0.266 18443 10114 1 15 . 1 1 91 91 ALA N N 91 125.038 125.038 122.149 2.889 18443 10115 1 15 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.479 0.098 18443 10116 1 15 . 1 1 91 91 ALA C C 91 175.940 175.940 174.138 1.802 18443 10117 1 15 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.508 -1.046 18443 10118 1 15 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.504 0.148 18443 10119 1 15 . 1 1 91 91 ALA H H 91 7.788 7.788 7.648 0.140 18443 10120 1 15 . 1 1 92 92 TRP N N 92 120.760 120.760 119.348 1.412 18443 10121 1 15 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.244 -0.104 18443 10122 1 15 . 1 1 92 92 TRP C C 92 175.960 175.960 176.334 -0.374 18443 10123 1 15 . 1 1 92 92 TRP CA C 92 56.851 56.851 55.972 0.879 18443 10124 1 15 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.168 1.505 18443 10125 1 15 . 1 1 92 92 TRP H H 92 8.235 8.235 8.285 -0.050 18443 10126 1 15 . 1 1 93 93 GLU N N 93 124.341 124.341 124.642 -0.301 18443 10127 1 15 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.661 0.200 18443 10128 1 15 . 1 1 93 93 GLU C C 93 175.515 175.515 175.874 -0.359 18443 10129 1 15 . 1 1 93 93 GLU CA C 93 54.779 54.779 55.303 -0.524 18443 10130 1 15 . 1 1 93 93 GLU CB C 93 33.192 33.192 31.897 1.295 18443 10131 1 15 . 1 1 93 93 GLU H H 93 9.264 9.264 9.364 -0.100 18443 10132 1 15 . 1 1 94 94 GLU N N 94 126.987 126.987 129.508 -2.521 18443 10133 1 15 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.575 0.622 18443 10134 1 15 . 1 1 94 94 GLU C C 94 177.604 177.604 176.130 1.474 18443 10135 1 15 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.352 -0.748 18443 10136 1 15 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.674 0.404 18443 10137 1 15 . 1 1 94 94 GLU H H 94 9.123 9.123 9.171 -0.048 18443 10138 1 15 . 1 1 95 95 VAL N N 95 122.004 122.004 126.833 -4.829 18443 10139 1 15 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.382 0.310 18443 10140 1 15 . 1 1 95 95 VAL C C 95 175.719 175.719 174.022 1.697 18443 10141 1 15 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.272 0.063 18443 10142 1 15 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.887 0.378 18443 10143 1 15 . 1 1 95 95 VAL H H 95 9.099 9.099 9.010 0.089 18443 10144 1 15 . 1 1 96 96 GLY N N 96 107.961 107.961 106.346 1.615 18443 10145 1 15 . 1 1 96 96 GLY C C 96 171.052 171.052 171.669 -0.617 18443 10146 1 15 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.220 0.892 18443 10147 1 15 . 1 1 96 96 GLY H H 96 7.754 7.754 7.410 0.344 18443 10148 1 15 . 1 1 97 97 ARG N N 97 117.467 117.467 122.492 -5.025 18443 10149 1 15 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.329 0.348 18443 10150 1 15 . 1 1 97 97 ARG C C 97 174.403 174.403 175.504 -1.101 18443 10151 1 15 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.132 0.494 18443 10152 1 15 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.105 1.208 18443 10153 1 15 . 1 1 97 97 ARG H H 97 8.489 8.489 8.388 0.101 18443 10154 1 15 . 1 1 98 98 LEU N N 98 122.922 122.922 126.090 -3.168 18443 10155 1 15 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.956 -0.031 18443 10156 1 15 . 1 1 98 98 LEU C C 98 174.871 174.871 175.308 -0.437 18443 10157 1 15 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.113 -0.142 18443 10158 1 15 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.900 1.642 18443 10159 1 15 . 1 1 98 98 LEU H H 98 9.504 9.504 9.309 0.195 18443 10160 1 15 . 1 1 99 99 PHE N N 99 124.212 124.212 123.824 0.388 18443 10161 1 15 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.266 0.382 18443 10162 1 15 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.903 -1.152 18443 10163 1 15 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.964 -0.732 18443 10164 1 15 . 1 1 99 99 PHE H H 99 9.146 9.146 8.686 0.460 18443 10165 1 15 . 1 1 100 100 GLY N N 100 116.438 116.438 115.670 0.768 18443 10166 1 15 . 1 1 100 100 GLY C C 100 173.343 173.343 172.823 0.520 18443 10167 1 15 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.516 -1.080 18443 10168 1 15 . 1 1 100 100 GLY H H 100 8.464 8.464 7.511 0.953 18443 10169 1 15 . 1 1 101 101 SER N N 101 112.597 112.597 117.981 -5.384 18443 10170 1 15 . 1 1 101 101 SER HA H 101 4.616 4.616 4.476 0.140 18443 10171 1 15 . 1 1 101 101 SER C C 101 175.075 175.075 174.437 0.638 18443 10172 1 15 . 1 1 101 101 SER CA C 101 58.288 58.288 59.566 -1.278 18443 10173 1 15 . 1 1 101 101 SER CB C 101 64.305 64.305 63.769 0.536 18443 10174 1 15 . 1 1 101 101 SER H H 101 8.366 8.366 8.405 -0.039 18443 10175 1 15 . 1 1 102 102 ARG N N 102 119.662 119.662 125.627 -5.965 18443 10176 1 15 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.806 0.125 18443 10177 1 15 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.906 -0.086 18443 10178 1 15 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.233 1.209 18443 10179 1 15 . 1 1 102 102 ARG H H 102 7.767 7.767 8.350 -0.583 18443 10180 1 15 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.479 0.072 18443 10181 1 15 . 1 1 103 103 PRO C C 103 177.345 177.345 177.325 0.020 18443 10182 1 15 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.855 -0.779 18443 10183 1 15 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.932 -0.064 18443 10184 1 15 . 1 1 104 104 ARG N N 104 121.205 121.205 123.142 -1.937 18443 10185 1 15 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.988 -0.056 18443 10186 1 15 . 1 1 104 104 ARG C C 104 177.368 177.368 178.253 -0.885 18443 10187 1 15 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.601 1.310 18443 10188 1 15 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.783 0.381 18443 10189 1 15 . 1 1 104 104 ARG H H 104 8.986 8.986 8.857 0.129 18443 10190 1 15 . 1 1 105 105 ALA N N 105 119.508 119.508 119.819 -0.311 18443 10191 1 15 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.248 -0.139 18443 10192 1 15 . 1 1 105 105 ALA C C 105 181.065 181.065 180.026 1.039 18443 10193 1 15 . 1 1 105 105 ALA CA C 105 55.745 55.745 55.039 0.706 18443 10194 1 15 . 1 1 105 105 ALA CB C 105 18.296 18.296 18.215 0.081 18443 10195 1 15 . 1 1 105 105 ALA H H 105 9.033 9.033 8.528 0.505 18443 10196 1 15 . 1 1 106 106 GLU N N 106 117.537 117.537 119.268 -1.731 18443 10197 1 15 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.126 0.003 18443 10198 1 15 . 1 1 106 106 GLU C C 106 178.041 178.041 178.556 -0.515 18443 10199 1 15 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.764 0.029 18443 10200 1 15 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.360 0.874 18443 10201 1 15 . 1 1 106 106 GLU H H 106 7.201 7.201 7.781 -0.580 18443 10202 1 15 . 1 1 107 107 PHE N N 107 120.721 120.721 121.771 -1.050 18443 10203 1 15 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.180 0.004 18443 10204 1 15 . 1 1 107 107 PHE C C 107 177.235 177.235 177.045 0.190 18443 10205 1 15 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.970 -0.227 18443 10206 1 15 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.380 0.703 18443 10207 1 15 . 1 1 107 107 PHE H H 107 8.555 8.555 8.411 0.144 18443 10208 1 15 . 1 1 108 108 LEU N N 108 117.219 117.219 117.901 -0.682 18443 10209 1 15 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.878 -0.047 18443 10210 1 15 . 1 1 108 108 LEU C C 108 178.406 178.406 178.806 -0.400 18443 10211 1 15 . 1 1 108 108 LEU CA C 108 58.484 58.484 56.954 1.530 18443 10212 1 15 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.231 0.921 18443 10213 1 15 . 1 1 108 108 LEU H H 108 8.364 8.364 8.561 -0.197 18443 10214 1 15 . 1 1 109 109 LYS N N 109 118.680 118.680 120.978 -2.298 18443 10215 1 15 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.924 -0.023 18443 10216 1 15 . 1 1 109 109 LYS C C 109 179.696 179.696 178.751 0.945 18443 10217 1 15 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.338 0.844 18443 10218 1 15 . 1 1 109 109 LYS CB C 109 32.266 32.266 31.878 0.388 18443 10219 1 15 . 1 1 109 109 LYS H H 109 7.330 7.330 7.753 -0.423 18443 10220 1 15 . 1 1 110 110 GLU N N 110 119.802 119.802 119.637 0.165 18443 10221 1 15 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.005 -0.044 18443 10222 1 15 . 1 1 110 110 GLU C C 110 179.903 179.903 178.797 1.106 18443 10223 1 15 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.805 0.319 18443 10224 1 15 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.520 -0.748 18443 10225 1 15 . 1 1 110 110 GLU H H 110 8.077 8.077 7.564 0.513 18443 10226 1 15 . 1 1 111 111 LEU N N 111 120.129 120.129 120.593 -0.464 18443 10227 1 15 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.486 0.046 18443 10228 1 15 . 1 1 111 111 LEU C C 111 179.792 179.792 178.893 0.899 18443 10229 1 15 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.821 -0.387 18443 10230 1 15 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.161 1.567 18443 10231 1 15 . 1 1 111 111 LEU H H 111 8.341 8.341 8.093 0.248 18443 10232 1 15 . 1 1 112 112 ARG N N 112 118.350 118.350 119.130 -0.780 18443 10233 1 15 . 1 1 112 112 ARG HA H 112 3.896 3.896 4.019 -0.123 18443 10234 1 15 . 1 1 112 112 ARG C C 112 179.446 179.446 178.660 0.786 18443 10235 1 15 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.383 1.940 18443 10236 1 15 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.709 0.169 18443 10237 1 15 . 1 1 112 112 ARG H H 112 8.166 8.166 8.255 -0.089 18443 10238 1 15 . 1 1 113 113 GLN N N 113 118.358 118.358 119.315 -0.957 18443 10239 1 15 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.036 0.057 18443 10240 1 15 . 1 1 113 113 GLN C C 113 179.137 179.137 178.586 0.551 18443 10241 1 15 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.903 -0.072 18443 10242 1 15 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.608 -0.138 18443 10243 1 15 . 1 1 113 113 GLN H H 113 7.842 7.842 7.589 0.253 18443 10244 1 15 . 1 1 114 114 VAL N N 114 120.174 120.174 120.224 -0.050 18443 10245 1 15 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.635 0.016 18443 10246 1 15 . 1 1 114 114 VAL C C 114 177.853 177.853 177.988 -0.135 18443 10247 1 15 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.212 -0.149 18443 10248 1 15 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.629 0.610 18443 10249 1 15 . 1 1 114 114 VAL H H 114 7.947 7.947 8.512 -0.565 18443 10250 1 15 . 1 1 115 115 CYS N N 115 117.549 117.549 116.480 1.069 18443 10251 1 15 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.275 -0.195 18443 10252 1 15 . 1 1 115 115 CYS C C 115 177.204 177.204 176.880 0.324 18443 10253 1 15 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.440 0.135 18443 10254 1 15 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.790 -0.033 18443 10255 1 15 . 1 1 115 115 CYS H H 115 7.801 7.801 7.771 0.030 18443 10256 1 15 . 1 1 116 116 VAL N N 116 119.053 119.053 118.802 0.251 18443 10257 1 15 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.767 0.086 18443 10258 1 15 . 1 1 116 116 VAL C C 116 178.840 178.840 177.785 1.055 18443 10259 1 15 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.269 0.173 18443 10260 1 15 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.887 0.021 18443 10261 1 15 . 1 1 116 116 VAL H H 116 7.465 7.465 7.270 0.195 18443 10262 1 15 . 1 1 117 117 LYS N N 117 121.003 121.003 120.978 0.025 18443 10263 1 15 . 1 1 117 117 LYS HA H 117 4.176 4.176 3.958 0.218 18443 10264 1 15 . 1 1 117 117 LYS C C 117 178.689 178.689 179.277 -0.588 18443 10265 1 15 . 1 1 117 117 LYS CA C 117 58.555 58.555 60.018 -1.463 18443 10266 1 15 . 1 1 117 117 LYS CB C 117 32.718 32.718 32.160 0.558 18443 10267 1 15 . 1 1 117 117 LYS H H 117 7.915 7.915 8.348 -0.433 18443 10268 1 15 . 1 1 118 118 GLY N N 118 106.132 106.132 105.741 0.391 18443 10269 1 15 . 1 1 118 118 GLY C C 118 174.909 174.909 176.292 -1.383 18443 10270 1 15 . 1 1 118 118 GLY CA C 118 45.964 45.964 47.081 -1.117 18443 10271 1 15 . 1 1 118 118 GLY H H 118 8.472 8.472 8.327 0.145 18443 10272 1 15 . 1 1 119 119 GLY N N 119 107.977 107.977 109.059 -1.082 18443 10273 1 15 . 1 1 119 119 GLY C C 119 174.631 174.631 173.896 0.735 18443 10274 1 15 . 1 1 119 119 GLY CA C 119 45.966 45.966 45.591 0.375 18443 10275 1 15 . 1 1 119 119 GLY H H 119 7.791 7.791 7.783 0.008 18443 10276 1 15 . 1 1 120 120 ALA N N 120 123.981 123.981 122.243 1.738 18443 10277 1 15 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.645 -0.232 18443 10278 1 15 . 1 1 120 120 ALA C C 120 178.143 178.143 176.728 1.415 18443 10279 1 15 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.027 0.789 18443 10280 1 15 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.653 -0.551 18443 10281 1 15 . 1 1 120 120 ALA H H 120 8.171 8.171 8.090 0.081 18443 10282 1 15 . 1 1 121 121 CYS N N 121 117.342 117.342 117.718 -0.376 18443 10283 1 15 . 1 1 121 121 CYS HA H 121 4.510 4.510 3.995 0.515 18443 10284 1 15 . 1 1 121 121 CYS C C 121 175.318 175.318 174.839 0.479 18443 10285 1 15 . 1 1 121 121 CYS CA C 121 58.974 58.974 59.841 -0.867 18443 10286 1 15 . 1 1 121 121 CYS CB C 121 28.109 28.109 26.023 2.086 18443 10287 1 15 . 1 1 121 121 CYS H H 121 8.200 8.200 8.461 -0.261 18443 10288 1 15 . 1 1 122 122 GLY N N 122 110.351 110.351 106.013 4.338 18443 10289 1 15 . 1 1 122 122 GLY C C 122 174.299 174.299 174.011 0.288 18443 10290 1 15 . 1 1 122 122 GLY CA C 122 45.525 45.525 46.462 -0.937 18443 10291 1 15 . 1 1 122 122 GLY H H 122 8.367 8.367 8.314 0.053 18443 10292 1 15 . 1 1 123 123 GLU N N 123 120.589 120.589 119.944 0.645 18443 10293 1 15 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.323 -0.016 18443 10294 1 15 . 1 1 123 123 GLU C C 123 177.296 177.296 176.824 0.472 18443 10295 1 15 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.330 0.500 18443 10296 1 15 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.819 0.642 18443 10297 1 15 . 1 1 123 123 GLU H H 123 8.280 8.280 8.139 0.141 18443 10298 1 15 . 1 1 124 124 GLY N N 124 109.521 109.521 108.659 0.862 18443 10299 1 15 . 1 1 124 124 GLY C C 124 174.189 174.189 174.088 0.101 18443 10300 1 15 . 1 1 124 124 GLY CA C 124 45.540 45.540 44.019 1.521 18443 10301 1 15 . 1 1 124 124 GLY H H 124 8.465 8.465 7.439 1.026 18443 10302 1 15 . 1 1 125 125 HIS N N 125 118.418 118.418 117.489 0.929 18443 10303 1 15 . 1 1 125 125 HIS CA C 125 55.971 55.971 55.980 -0.009 18443 10304 1 15 . 1 1 125 125 HIS CB C 125 30.073 30.073 27.003 3.071 18443 10305 1 15 . 1 1 125 125 HIS H H 125 8.244 8.244 7.707 0.537 18443 10306 1 16 . 1 1 2 2 SER HA H 2 4.050 4.050 4.711 -0.661 18443 10307 1 16 . 1 1 2 2 SER CA C 2 57.351 57.351 58.169 -0.818 18443 10308 1 16 . 1 1 2 2 SER CB C 2 63.259 63.259 64.517 -1.258 18443 10309 1 16 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.754 -0.452 18443 10310 1 16 . 1 1 3 3 LEU C C 3 175.706 175.706 175.729 -0.023 18443 10311 1 16 . 1 1 3 3 LEU CA C 3 55.286 55.286 53.984 1.302 18443 10312 1 16 . 1 1 3 3 LEU CB C 3 42.920 42.920 45.677 -2.757 18443 10313 1 16 . 1 1 4 4 ARG N N 4 127.222 127.222 124.319 2.903 18443 10314 1 16 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.286 0.032 18443 10315 1 16 . 1 1 4 4 ARG C C 4 173.862 173.862 174.880 -1.018 18443 10316 1 16 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.378 0.602 18443 10317 1 16 . 1 1 4 4 ARG CB C 4 31.326 31.326 28.754 2.572 18443 10318 1 16 . 1 1 4 4 ARG H H 4 8.502 8.502 9.108 -0.606 18443 10319 1 16 . 1 1 5 5 TRP N N 5 123.052 123.052 125.850 -2.798 18443 10320 1 16 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.085 -0.085 18443 10321 1 16 . 1 1 5 5 TRP C C 5 176.309 176.309 176.286 0.023 18443 10322 1 16 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.874 -1.193 18443 10323 1 16 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.171 0.719 18443 10324 1 16 . 1 1 5 5 TRP H H 5 8.184 8.184 8.129 0.055 18443 10325 1 16 . 1 1 6 6 TYR N N 6 120.957 120.957 122.693 -1.736 18443 10326 1 16 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.071 -0.092 18443 10327 1 16 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.895 1.290 18443 10328 1 16 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.270 1.067 18443 10329 1 16 . 1 1 6 6 TYR H H 6 8.818 8.818 9.205 -0.387 18443 10330 1 16 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.662 0.248 18443 10331 1 16 . 1 1 7 7 PRO C C 7 177.869 177.869 177.355 0.514 18443 10332 1 16 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.569 0.009 18443 10333 1 16 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.700 0.245 18443 10334 1 16 . 1 1 8 8 TYR N N 8 122.256 122.256 124.186 -1.930 18443 10335 1 16 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.022 0.021 18443 10336 1 16 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.328 -0.253 18443 10337 1 16 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.013 0.841 18443 10338 1 16 . 1 1 8 8 TYR H H 8 9.408 9.408 9.232 0.176 18443 10339 1 16 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.110 -0.068 18443 10340 1 16 . 1 1 9 9 PRO C C 9 180.472 180.472 178.873 1.599 18443 10341 1 16 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.060 0.326 18443 10342 1 16 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.047 -0.520 18443 10343 1 16 . 1 1 10 10 GLU N N 10 118.047 118.047 117.459 0.588 18443 10344 1 16 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.106 -0.052 18443 10345 1 16 . 1 1 10 10 GLU C C 10 178.293 178.293 178.669 -0.376 18443 10346 1 16 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.749 0.281 18443 10347 1 16 . 1 1 10 10 GLU CB C 10 30.309 30.309 28.896 1.413 18443 10348 1 16 . 1 1 10 10 GLU H H 10 7.093 7.093 8.537 -1.444 18443 10349 1 16 . 1 1 11 11 ALA N N 11 121.740 121.740 123.379 -1.639 18443 10350 1 16 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.961 -0.340 18443 10351 1 16 . 1 1 11 11 ALA C C 11 178.890 178.890 179.514 -0.624 18443 10352 1 16 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.339 -0.820 18443 10353 1 16 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.361 0.684 18443 10354 1 16 . 1 1 11 11 ALA H H 11 8.447 8.447 8.717 -0.270 18443 10355 1 16 . 1 1 12 12 LEU N N 12 115.622 115.622 118.909 -3.287 18443 10356 1 16 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.601 -0.150 18443 10357 1 16 . 1 1 12 12 LEU C C 12 179.331 179.331 178.912 0.419 18443 10358 1 16 . 1 1 12 12 LEU CA C 12 58.523 58.523 58.107 0.416 18443 10359 1 16 . 1 1 12 12 LEU CB C 12 40.445 40.445 41.056 -0.611 18443 10360 1 16 . 1 1 12 12 LEU H H 12 7.354 7.354 7.601 -0.247 18443 10361 1 16 . 1 1 13 13 ALA N N 13 120.240 120.240 122.451 -2.211 18443 10362 1 16 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.223 -0.048 18443 10363 1 16 . 1 1 13 13 ALA C C 13 181.630 181.630 179.903 1.727 18443 10364 1 16 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.153 0.172 18443 10365 1 16 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.280 -0.125 18443 10366 1 16 . 1 1 13 13 ALA H H 13 7.201 7.201 7.736 -0.535 18443 10367 1 16 . 1 1 14 14 LEU N N 14 120.757 120.757 119.944 0.813 18443 10368 1 16 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.865 0.222 18443 10369 1 16 . 1 1 14 14 LEU C C 14 179.635 179.635 178.672 0.963 18443 10370 1 16 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.213 0.475 18443 10371 1 16 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.560 2.232 18443 10372 1 16 . 1 1 14 14 LEU H H 14 8.202 8.202 8.488 -0.286 18443 10373 1 16 . 1 1 15 15 ALA N N 15 121.483 121.483 120.470 1.013 18443 10374 1 16 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.040 -0.166 18443 10375 1 16 . 1 1 15 15 ALA C C 15 180.839 180.839 179.197 1.642 18443 10376 1 16 . 1 1 15 15 ALA CA C 15 56.248 56.248 54.662 1.586 18443 10377 1 16 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.902 0.734 18443 10378 1 16 . 1 1 15 15 ALA H H 15 8.594 8.594 7.638 0.956 18443 10379 1 16 . 1 1 16 16 GLN N N 16 117.131 117.131 120.137 -3.006 18443 10380 1 16 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.019 -0.050 18443 10381 1 16 . 1 1 16 16 GLN C C 16 178.701 178.701 178.213 0.488 18443 10382 1 16 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.986 0.167 18443 10383 1 16 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.866 0.013 18443 10384 1 16 . 1 1 16 16 GLN H H 16 8.609 8.609 8.740 -0.131 18443 10385 1 16 . 1 1 17 17 ALA N N 17 120.088 120.088 118.966 1.122 18443 10386 1 16 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.242 -0.123 18443 10387 1 16 . 1 1 17 17 ALA C C 17 179.305 179.305 178.521 0.784 18443 10388 1 16 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.847 0.772 18443 10389 1 16 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.897 -0.634 18443 10390 1 16 . 1 1 17 17 ALA H H 17 7.635 7.635 8.228 -0.593 18443 10391 1 16 . 1 1 18 18 HIS N N 18 111.636 111.636 114.146 -2.510 18443 10392 1 16 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.683 0.129 18443 10393 1 16 . 1 1 18 18 HIS C C 18 175.021 175.021 175.951 -0.930 18443 10394 1 16 . 1 1 18 18 HIS CA C 18 55.537 55.537 56.189 -0.652 18443 10395 1 16 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.804 -0.593 18443 10396 1 16 . 1 1 18 18 HIS H H 18 7.728 7.728 7.586 0.142 18443 10397 1 16 . 1 1 19 19 GLY N N 19 111.899 111.899 107.710 4.189 18443 10398 1 16 . 1 1 19 19 GLY C C 19 175.071 175.071 174.410 0.661 18443 10399 1 16 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.376 2.279 18443 10400 1 16 . 1 1 19 19 GLY H H 19 7.886 7.886 8.656 -0.770 18443 10401 1 16 . 1 1 20 20 ARG N N 20 118.442 118.442 120.435 -1.993 18443 10402 1 16 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.300 0.311 18443 10403 1 16 . 1 1 20 20 ARG C C 20 174.586 174.586 175.300 -0.714 18443 10404 1 16 . 1 1 20 20 ARG CA C 20 54.512 54.512 55.318 -0.806 18443 10405 1 16 . 1 1 20 20 ARG CB C 20 34.275 34.275 31.491 2.784 18443 10406 1 16 . 1 1 20 20 ARG H H 20 8.239 8.239 7.677 0.562 18443 10407 1 16 . 1 1 21 21 MET N N 21 115.457 115.457 116.931 -1.474 18443 10408 1 16 . 1 1 21 21 MET HA H 21 4.870 4.870 4.598 0.272 18443 10409 1 16 . 1 1 21 21 MET C C 21 175.707 175.707 175.079 0.628 18443 10410 1 16 . 1 1 21 21 MET CA C 21 56.111 56.111 55.072 1.039 18443 10411 1 16 . 1 1 21 21 MET CB C 21 35.717 35.717 35.318 0.399 18443 10412 1 16 . 1 1 21 21 MET H H 21 7.193 7.193 8.620 -1.427 18443 10413 1 16 . 1 1 22 22 VAL N N 22 119.607 119.607 119.800 -0.193 18443 10414 1 16 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.798 0.512 18443 10415 1 16 . 1 1 22 22 VAL C C 22 176.506 176.506 174.781 1.725 18443 10416 1 16 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.181 -0.752 18443 10417 1 16 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.225 2.433 18443 10418 1 16 . 1 1 22 22 VAL H H 22 9.034 9.034 9.140 -0.106 18443 10419 1 16 . 1 1 23 23 MET N N 23 126.309 126.309 128.161 -1.852 18443 10420 1 16 . 1 1 23 23 MET HA H 23 4.878 4.878 5.170 -0.292 18443 10421 1 16 . 1 1 23 23 MET C C 23 173.960 173.960 174.081 -0.121 18443 10422 1 16 . 1 1 23 23 MET CA C 23 54.184 54.184 53.177 1.007 18443 10423 1 16 . 1 1 23 23 MET CB C 23 36.920 36.920 34.751 2.169 18443 10424 1 16 . 1 1 23 23 MET H H 23 8.704 8.704 9.194 -0.490 18443 10425 1 16 . 1 1 24 24 VAL N N 24 128.959 128.959 128.783 0.176 18443 10426 1 16 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.155 0.183 18443 10427 1 16 . 1 1 24 24 VAL C C 24 174.245 174.245 174.027 0.218 18443 10428 1 16 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.615 0.137 18443 10429 1 16 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.326 0.495 18443 10430 1 16 . 1 1 24 24 VAL H H 24 9.908 9.908 9.313 0.595 18443 10431 1 16 . 1 1 25 25 TYR N N 25 129.726 129.726 130.491 -0.765 18443 10432 1 16 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.389 -0.162 18443 10433 1 16 . 1 1 25 25 TYR C C 25 173.393 173.393 173.419 -0.026 18443 10434 1 16 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.346 -2.263 18443 10435 1 16 . 1 1 25 25 TYR CB C 25 39.518 39.518 41.480 -1.962 18443 10436 1 16 . 1 1 25 25 TYR H H 25 9.031 9.031 9.042 -0.011 18443 10437 1 16 . 1 1 26 26 PHE N N 26 126.719 126.719 126.090 0.629 18443 10438 1 16 . 1 1 26 26 PHE HA H 26 5.095 5.095 5.111 -0.016 18443 10439 1 16 . 1 1 26 26 PHE C C 26 174.151 174.151 174.662 -0.511 18443 10440 1 16 . 1 1 26 26 PHE CA C 26 57.438 57.438 55.926 1.512 18443 10441 1 16 . 1 1 26 26 PHE CB C 26 39.624 39.624 40.705 -1.081 18443 10442 1 16 . 1 1 26 26 PHE H H 26 9.162 9.162 9.029 0.133 18443 10443 1 16 . 1 1 27 27 HIS N N 27 118.311 118.311 118.924 -0.613 18443 10444 1 16 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.954 0.208 18443 10445 1 16 . 1 1 27 27 HIS C C 27 173.044 173.044 173.534 -0.490 18443 10446 1 16 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.964 -0.504 18443 10447 1 16 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.087 2.001 18443 10448 1 16 . 1 1 27 27 HIS H H 27 8.168 8.168 8.338 -0.170 18443 10449 1 16 . 1 1 28 28 SER N N 28 112.150 112.150 113.980 -1.830 18443 10450 1 16 . 1 1 28 28 SER HA H 28 4.790 4.790 5.216 -0.426 18443 10451 1 16 . 1 1 28 28 SER C C 28 176.815 176.815 174.589 2.226 18443 10452 1 16 . 1 1 28 28 SER CA C 28 56.260 56.260 56.255 0.004 18443 10453 1 16 . 1 1 28 28 SER CB C 28 65.470 65.470 66.613 -1.143 18443 10454 1 16 . 1 1 28 28 SER H H 28 7.545 7.545 8.832 -1.287 18443 10455 1 16 . 1 1 29 29 GLU N N 29 130.603 130.603 120.765 9.838 18443 10456 1 16 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.214 -0.114 18443 10457 1 16 . 1 1 29 29 GLU C C 29 176.980 176.980 176.513 0.467 18443 10458 1 16 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.437 0.233 18443 10459 1 16 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.517 0.122 18443 10460 1 16 . 1 1 29 29 GLU H H 29 9.681 9.681 8.732 0.949 18443 10461 1 16 . 1 1 30 30 HIS N N 30 114.752 114.752 116.697 -1.945 18443 10462 1 16 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.512 0.182 18443 10463 1 16 . 1 1 30 30 HIS C C 30 173.679 173.679 175.672 -1.993 18443 10464 1 16 . 1 1 30 30 HIS CA C 30 54.393 54.393 57.184 -2.791 18443 10465 1 16 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.751 -0.379 18443 10466 1 16 . 1 1 30 30 HIS H H 30 8.226 8.226 8.112 0.114 18443 10467 1 16 . 1 1 31 31 CYS N N 31 124.685 124.685 120.729 3.956 18443 10468 1 16 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.996 -0.050 18443 10469 1 16 . 1 1 31 31 CYS C C 31 175.771 175.771 173.560 2.211 18443 10470 1 16 . 1 1 31 31 CYS CA C 31 56.116 56.116 55.756 0.360 18443 10471 1 16 . 1 1 31 31 CYS CB C 31 31.415 31.415 29.009 2.406 18443 10472 1 16 . 1 1 31 31 CYS H H 31 7.091 7.091 8.152 -1.061 18443 10473 1 16 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.768 -0.434 18443 10474 1 16 . 1 1 32 32 PRO C C 32 179.352 179.352 175.589 3.763 18443 10475 1 16 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.102 1.091 18443 10476 1 16 . 1 1 32 32 PRO CB C 32 32.072 32.072 30.444 1.628 18443 10477 1 16 . 1 1 33 33 TYR N N 33 125.092 125.092 117.964 7.128 18443 10478 1 16 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.411 0.084 18443 10479 1 16 . 1 1 33 33 TYR C C 33 179.457 179.457 177.633 1.824 18443 10480 1 16 . 1 1 33 33 TYR CA C 33 60.880 60.880 61.218 -0.338 18443 10481 1 16 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.500 -0.155 18443 10482 1 16 . 1 1 33 33 TYR H H 33 8.621 8.621 7.718 0.903 18443 10483 1 16 . 1 1 34 34 CYS N N 34 127.272 127.272 117.959 9.313 18443 10484 1 16 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.364 -0.029 18443 10485 1 16 . 1 1 34 34 CYS C C 34 176.672 176.672 175.803 0.869 18443 10486 1 16 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.834 3.325 18443 10487 1 16 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.987 0.890 18443 10488 1 16 . 1 1 34 34 CYS H H 34 9.440 9.440 8.397 1.043 18443 10489 1 16 . 1 1 35 35 GLN N N 35 118.373 118.373 120.155 -1.782 18443 10490 1 16 . 1 1 35 35 GLN HA H 35 4.059 4.059 4.017 0.042 18443 10491 1 16 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.759 0.615 18443 10492 1 16 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.331 0.245 18443 10493 1 16 . 1 1 35 35 GLN H H 35 7.866 7.866 8.798 -0.932 18443 10494 1 16 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.218 0.028 18443 10495 1 16 . 1 1 36 36 GLN C C 36 178.881 178.881 178.033 0.848 18443 10496 1 16 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.478 1.148 18443 10497 1 16 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.893 -0.288 18443 10498 1 16 . 1 1 37 37 MET N N 37 117.759 117.759 119.236 -1.477 18443 10499 1 16 . 1 1 37 37 MET HA H 37 4.488 4.488 4.273 0.215 18443 10500 1 16 . 1 1 37 37 MET C C 37 179.838 179.838 178.205 1.633 18443 10501 1 16 . 1 1 37 37 MET CA C 37 57.229 57.229 59.242 -2.013 18443 10502 1 16 . 1 1 37 37 MET CB C 37 29.983 29.983 32.979 -2.996 18443 10503 1 16 . 1 1 37 37 MET H H 37 8.125 8.125 8.065 0.060 18443 10504 1 16 . 1 1 38 38 ASN N N 38 122.249 122.249 116.307 5.942 18443 10505 1 16 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.443 -0.081 18443 10506 1 16 . 1 1 38 38 ASN C C 38 177.355 177.355 176.105 1.250 18443 10507 1 16 . 1 1 38 38 ASN CA C 38 56.435 56.435 55.464 0.971 18443 10508 1 16 . 1 1 38 38 ASN CB C 38 37.512 37.512 37.606 -0.094 18443 10509 1 16 . 1 1 38 38 ASN H H 38 9.245 9.245 8.790 0.455 18443 10510 1 16 . 1 1 39 39 THR N N 39 113.554 113.554 114.705 -1.151 18443 10511 1 16 . 1 1 39 39 THR HA H 39 3.853 3.853 4.000 -0.147 18443 10512 1 16 . 1 1 39 39 THR C C 39 176.277 176.277 174.488 1.789 18443 10513 1 16 . 1 1 39 39 THR CA C 39 65.843 65.843 65.407 0.436 18443 10514 1 16 . 1 1 39 39 THR CB C 39 69.595 69.595 68.900 0.695 18443 10515 1 16 . 1 1 39 39 THR H H 39 8.034 8.034 7.448 0.586 18443 10516 1 16 . 1 1 40 40 PHE N N 40 116.394 116.394 117.182 -0.788 18443 10517 1 16 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.358 0.462 18443 10518 1 16 . 1 1 40 40 PHE C C 40 176.255 176.255 177.225 -0.970 18443 10519 1 16 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.308 -0.593 18443 10520 1 16 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.017 1.868 18443 10521 1 16 . 1 1 40 40 PHE H H 40 8.309 8.309 7.335 0.974 18443 10522 1 16 . 1 1 41 41 VAL N N 41 117.246 117.246 118.235 -0.989 18443 10523 1 16 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.776 0.530 18443 10524 1 16 . 1 1 41 41 VAL C C 41 176.704 176.704 178.173 -1.469 18443 10525 1 16 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.020 -0.181 18443 10526 1 16 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.221 2.418 18443 10527 1 16 . 1 1 41 41 VAL H H 41 7.678 7.678 7.675 0.003 18443 10528 1 16 . 1 1 42 42 LEU N N 42 117.179 117.179 117.589 -0.410 18443 10529 1 16 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.061 -0.113 18443 10530 1 16 . 1 1 42 42 LEU C C 42 175.837 175.837 177.434 -1.597 18443 10531 1 16 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.577 0.719 18443 10532 1 16 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.258 -1.143 18443 10533 1 16 . 1 1 42 42 LEU H H 42 8.882 8.882 8.274 0.608 18443 10534 1 16 . 1 1 43 43 SER N N 43 105.494 105.494 111.394 -5.900 18443 10535 1 16 . 1 1 43 43 SER HA H 43 4.408 4.408 4.442 -0.034 18443 10536 1 16 . 1 1 43 43 SER C C 43 175.397 175.397 174.580 0.817 18443 10537 1 16 . 1 1 43 43 SER CA C 43 57.144 57.144 57.383 -0.239 18443 10538 1 16 . 1 1 43 43 SER CB C 43 64.117 64.117 63.338 0.779 18443 10539 1 16 . 1 1 43 43 SER H H 43 6.785 6.785 7.442 -0.657 18443 10540 1 16 . 1 1 44 44 ASP N N 44 126.617 126.617 124.140 2.477 18443 10541 1 16 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.587 0.224 18443 10542 1 16 . 1 1 44 44 ASP C C 44 175.644 175.644 175.862 -0.218 18443 10543 1 16 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.651 -0.978 18443 10544 1 16 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.209 1.464 18443 10545 1 16 . 1 1 44 44 ASP H H 44 7.443 7.443 7.602 -0.159 18443 10546 1 16 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.285 0.067 18443 10547 1 16 . 1 1 45 45 PRO C C 45 178.792 178.792 178.441 0.351 18443 10548 1 16 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.355 0.404 18443 10549 1 16 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.023 0.316 18443 10550 1 16 . 1 1 46 46 GLY N N 46 107.270 107.270 106.247 1.023 18443 10551 1 16 . 1 1 46 46 GLY C C 46 176.799 176.799 176.300 0.499 18443 10552 1 16 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.662 0.366 18443 10553 1 16 . 1 1 46 46 GLY H H 46 8.161 8.161 8.571 -0.410 18443 10554 1 16 . 1 1 47 47 VAL N N 47 124.473 124.473 121.885 2.588 18443 10555 1 16 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.635 -0.040 18443 10556 1 16 . 1 1 47 47 VAL C C 47 177.886 177.886 177.947 -0.061 18443 10557 1 16 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.509 -0.009 18443 10558 1 16 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.494 0.931 18443 10559 1 16 . 1 1 47 47 VAL H H 47 8.344 8.344 7.984 0.360 18443 10560 1 16 . 1 1 48 48 SER N N 48 113.807 113.807 115.473 -1.666 18443 10561 1 16 . 1 1 48 48 SER HA H 48 4.053 4.053 4.059 -0.006 18443 10562 1 16 . 1 1 48 48 SER C C 48 176.889 176.889 176.534 0.355 18443 10563 1 16 . 1 1 48 48 SER CA C 48 62.777 62.777 61.913 0.864 18443 10564 1 16 . 1 1 48 48 SER CB C 48 62.884 62.884 62.853 0.031 18443 10565 1 16 . 1 1 48 48 SER H H 48 9.023 9.023 8.801 0.222 18443 10566 1 16 . 1 1 49 49 ARG N N 49 119.875 119.875 120.956 -1.081 18443 10567 1 16 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.070 0.094 18443 10568 1 16 . 1 1 49 49 ARG C C 49 179.398 179.398 178.815 0.583 18443 10569 1 16 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.301 0.257 18443 10570 1 16 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.940 0.307 18443 10571 1 16 . 1 1 49 49 ARG H H 49 8.081 8.081 7.639 0.442 18443 10572 1 16 . 1 1 50 50 LEU N N 50 121.717 121.717 119.860 1.857 18443 10573 1 16 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.083 0.296 18443 10574 1 16 . 1 1 50 50 LEU C C 50 179.482 179.482 178.995 0.487 18443 10575 1 16 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.517 0.689 18443 10576 1 16 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.874 -0.039 18443 10577 1 16 . 1 1 50 50 LEU H H 50 7.291 7.291 7.580 -0.289 18443 10578 1 16 . 1 1 51 51 LEU N N 51 118.677 118.677 119.186 -0.509 18443 10579 1 16 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.005 0.285 18443 10580 1 16 . 1 1 51 51 LEU C C 51 179.233 179.233 179.414 -0.181 18443 10581 1 16 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.543 0.800 18443 10582 1 16 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.571 1.815 18443 10583 1 16 . 1 1 51 51 LEU H H 51 8.358 8.358 7.691 0.667 18443 10584 1 16 . 1 1 52 52 GLU N N 52 116.437 116.437 117.886 -1.449 18443 10585 1 16 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.040 0.128 18443 10586 1 16 . 1 1 52 52 GLU C C 52 178.898 178.898 178.608 0.290 18443 10587 1 16 . 1 1 52 52 GLU CA C 52 58.993 58.993 58.942 0.051 18443 10588 1 16 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.107 1.099 18443 10589 1 16 . 1 1 52 52 GLU H H 52 8.715 8.715 8.687 0.028 18443 10590 1 16 . 1 1 53 53 ALA N N 53 119.092 119.092 121.049 -1.957 18443 10591 1 16 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.178 0.249 18443 10592 1 16 . 1 1 53 53 ALA C C 53 180.298 180.298 177.614 2.684 18443 10593 1 16 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.786 -0.223 18443 10594 1 16 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.311 0.907 18443 10595 1 16 . 1 1 53 53 ALA H H 53 7.782 7.782 7.624 0.158 18443 10596 1 16 . 1 1 54 54 ARG N N 54 111.562 111.562 113.370 -1.808 18443 10597 1 16 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.471 0.184 18443 10598 1 16 . 1 1 54 54 ARG C C 54 175.560 175.560 174.669 0.891 18443 10599 1 16 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.153 -0.122 18443 10600 1 16 . 1 1 54 54 ARG CB C 54 33.337 33.337 29.970 3.368 18443 10601 1 16 . 1 1 54 54 ARG H H 54 7.740 7.740 7.941 -0.201 18443 10602 1 16 . 1 1 55 55 PHE N N 55 117.038 117.038 120.810 -3.772 18443 10603 1 16 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.546 0.116 18443 10604 1 16 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.065 -0.237 18443 10605 1 16 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.028 0.254 18443 10606 1 16 . 1 1 55 55 PHE H H 55 8.555 8.555 8.518 0.037 18443 10607 1 16 . 1 1 56 56 VAL N N 56 121.038 121.038 122.375 -1.337 18443 10608 1 16 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.386 -0.061 18443 10609 1 16 . 1 1 56 56 VAL C C 56 175.305 175.305 174.788 0.517 18443 10610 1 16 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.481 1.464 18443 10611 1 16 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.276 1.229 18443 10612 1 16 . 1 1 56 56 VAL H H 56 8.817 8.817 9.361 -0.544 18443 10613 1 16 . 1 1 57 57 VAL N N 57 125.781 125.781 128.301 -2.520 18443 10614 1 16 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.699 0.277 18443 10615 1 16 . 1 1 57 57 VAL C C 57 174.535 174.535 174.688 -0.153 18443 10616 1 16 . 1 1 57 57 VAL CA C 57 61.390 61.390 60.728 0.662 18443 10617 1 16 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.298 0.638 18443 10618 1 16 . 1 1 57 57 VAL H H 57 9.498 9.498 8.121 1.377 18443 10619 1 16 . 1 1 58 58 ALA N N 58 128.137 128.137 131.067 -2.930 18443 10620 1 16 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.584 0.037 18443 10621 1 16 . 1 1 58 58 ALA C C 58 175.953 175.953 177.163 -1.210 18443 10622 1 16 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.587 -0.823 18443 10623 1 16 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.849 0.866 18443 10624 1 16 . 1 1 58 58 ALA H H 58 9.062 9.062 9.074 -0.012 18443 10625 1 16 . 1 1 59 59 SER N N 59 117.343 117.343 121.651 -4.308 18443 10626 1 16 . 1 1 59 59 SER HA H 59 4.693 4.693 4.965 -0.272 18443 10627 1 16 . 1 1 59 59 SER C C 59 174.092 174.092 174.183 -0.091 18443 10628 1 16 . 1 1 59 59 SER CA C 59 56.135 56.135 57.986 -1.851 18443 10629 1 16 . 1 1 59 59 SER CB C 59 63.731 63.731 62.848 0.883 18443 10630 1 16 . 1 1 59 59 SER H H 59 8.676 8.676 8.940 -0.264 18443 10631 1 16 . 1 1 60 60 VAL N N 60 129.829 129.829 126.096 3.733 18443 10632 1 16 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.265 -0.336 18443 10633 1 16 . 1 1 60 60 VAL C C 60 172.999 172.999 174.393 -1.394 18443 10634 1 16 . 1 1 60 60 VAL CA C 60 61.522 61.522 60.830 0.692 18443 10635 1 16 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.638 -0.303 18443 10636 1 16 . 1 1 60 60 VAL H H 60 8.716 8.716 8.577 0.139 18443 10637 1 16 . 1 1 61 61 SER N N 61 119.457 119.457 122.602 -3.145 18443 10638 1 16 . 1 1 61 61 SER HA H 61 4.211 4.211 4.141 0.070 18443 10639 1 16 . 1 1 61 61 SER C C 61 178.511 178.511 175.099 3.412 18443 10640 1 16 . 1 1 61 61 SER CA C 61 55.404 55.404 56.888 -1.484 18443 10641 1 16 . 1 1 61 61 SER CB C 61 63.080 63.080 64.096 -1.016 18443 10642 1 16 . 1 1 61 61 SER H H 61 8.250 8.250 8.704 -0.454 18443 10643 1 16 . 1 1 62 62 VAL N N 62 123.331 123.331 125.499 -2.168 18443 10644 1 16 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.715 0.326 18443 10645 1 16 . 1 1 62 62 VAL C C 62 174.434 174.434 176.433 -1.999 18443 10646 1 16 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.520 -1.743 18443 10647 1 16 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.136 -1.269 18443 10648 1 16 . 1 1 62 62 VAL H H 62 8.954 8.954 8.871 0.083 18443 10649 1 16 . 1 1 63 63 ASP N N 63 119.953 119.953 117.949 2.004 18443 10650 1 16 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.564 0.155 18443 10651 1 16 . 1 1 63 63 ASP C C 63 175.930 175.930 176.570 -0.640 18443 10652 1 16 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.538 -0.608 18443 10653 1 16 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.151 0.067 18443 10654 1 16 . 1 1 63 63 ASP H H 63 7.966 7.966 8.131 -0.165 18443 10655 1 16 . 1 1 64 64 THR N N 64 108.822 108.822 111.709 -2.887 18443 10656 1 16 . 1 1 64 64 THR HA H 64 4.963 4.963 4.861 0.102 18443 10657 1 16 . 1 1 64 64 THR C C 64 173.012 173.012 173.536 -0.524 18443 10658 1 16 . 1 1 64 64 THR CA C 64 58.176 58.176 58.797 -0.621 18443 10659 1 16 . 1 1 64 64 THR CB C 64 70.326 70.326 69.909 0.417 18443 10660 1 16 . 1 1 64 64 THR H H 64 7.315 7.315 7.421 -0.106 18443 10661 1 16 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.392 -0.104 18443 10662 1 16 . 1 1 65 65 PRO C C 65 180.307 180.307 178.446 1.861 18443 10663 1 16 . 1 1 65 65 PRO CA C 65 65.841 65.841 65.870 -0.028 18443 10664 1 16 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.782 0.179 18443 10665 1 16 . 1 1 66 66 GLU N N 66 118.398 118.398 117.915 0.483 18443 10666 1 16 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.122 0.039 18443 10667 1 16 . 1 1 66 66 GLU C C 66 179.940 179.940 178.946 0.994 18443 10668 1 16 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.674 0.265 18443 10669 1 16 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.738 1.133 18443 10670 1 16 . 1 1 66 66 GLU H H 66 9.304 9.304 8.919 0.385 18443 10671 1 16 . 1 1 67 67 GLY N N 67 110.592 110.592 108.154 2.438 18443 10672 1 16 . 1 1 67 67 GLY C C 67 176.529 176.529 176.392 0.137 18443 10673 1 16 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.164 0.700 18443 10674 1 16 . 1 1 67 67 GLY H H 67 8.172 8.172 7.720 0.452 18443 10675 1 16 . 1 1 68 68 GLN N N 68 121.948 121.948 121.959 -0.011 18443 10676 1 16 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.956 0.057 18443 10677 1 16 . 1 1 68 68 GLN C C 68 179.366 179.366 178.567 0.799 18443 10678 1 16 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.169 0.022 18443 10679 1 16 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.855 -0.921 18443 10680 1 16 . 1 1 68 68 GLN H H 68 8.504 8.504 8.481 0.023 18443 10681 1 16 . 1 1 69 69 GLU N N 69 120.280 120.280 120.017 0.263 18443 10682 1 16 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.121 0.049 18443 10683 1 16 . 1 1 69 69 GLU C C 69 179.360 179.360 178.850 0.510 18443 10684 1 16 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.851 0.639 18443 10685 1 16 . 1 1 69 69 GLU CB C 69 28.931 28.931 28.906 0.025 18443 10686 1 16 . 1 1 69 69 GLU H H 69 7.815 7.815 8.479 -0.664 18443 10687 1 16 . 1 1 70 70 LEU N N 70 121.041 121.041 121.350 -0.309 18443 10688 1 16 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.030 0.086 18443 10689 1 16 . 1 1 70 70 LEU C C 70 178.961 178.961 178.799 0.162 18443 10690 1 16 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.560 -0.367 18443 10691 1 16 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.794 0.933 18443 10692 1 16 . 1 1 70 70 LEU H H 70 7.758 7.758 7.727 0.031 18443 10693 1 16 . 1 1 71 71 ALA N N 71 122.094 122.094 121.336 0.758 18443 10694 1 16 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.926 -0.353 18443 10695 1 16 . 1 1 71 71 ALA C C 71 179.966 179.966 179.547 0.419 18443 10696 1 16 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.412 -0.374 18443 10697 1 16 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.196 -0.777 18443 10698 1 16 . 1 1 71 71 ALA H H 71 8.745 8.745 8.609 0.136 18443 10699 1 16 . 1 1 72 72 ARG N N 72 118.463 118.463 117.567 0.896 18443 10700 1 16 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.053 0.068 18443 10701 1 16 . 1 1 72 72 ARG C C 72 180.905 180.905 178.024 2.881 18443 10702 1 16 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.226 1.298 18443 10703 1 16 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.988 0.315 18443 10704 1 16 . 1 1 72 72 ARG H H 72 7.862 7.862 7.895 -0.033 18443 10705 1 16 . 1 1 73 73 ARG N N 73 122.223 122.223 120.360 1.863 18443 10706 1 16 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.074 -0.116 18443 10707 1 16 . 1 1 73 73 ARG C C 73 178.562 178.562 178.190 0.372 18443 10708 1 16 . 1 1 73 73 ARG CA C 73 59.538 59.538 59.119 0.419 18443 10709 1 16 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.957 -0.766 18443 10710 1 16 . 1 1 73 73 ARG H H 73 8.189 8.189 7.675 0.514 18443 10711 1 16 . 1 1 74 74 TYR N N 74 114.319 114.319 116.784 -2.465 18443 10712 1 16 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.521 -0.120 18443 10713 1 16 . 1 1 74 74 TYR C C 74 174.321 174.321 175.234 -0.913 18443 10714 1 16 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.934 -0.150 18443 10715 1 16 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.587 0.678 18443 10716 1 16 . 1 1 74 74 TYR H H 74 8.047 8.047 8.545 -0.498 18443 10717 1 16 . 1 1 75 75 ARG N N 75 119.572 119.572 116.717 2.855 18443 10718 1 16 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.946 -0.077 18443 10719 1 16 . 1 1 75 75 ARG C C 75 175.880 175.880 173.922 1.958 18443 10720 1 16 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.775 0.065 18443 10721 1 16 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.076 -0.568 18443 10722 1 16 . 1 1 75 75 ARG H H 75 7.865 7.865 7.832 0.033 18443 10723 1 16 . 1 1 76 76 VAL N N 76 119.885 119.885 119.838 0.047 18443 10724 1 16 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.093 -0.302 18443 10725 1 16 . 1 1 76 76 VAL C C 76 176.374 176.374 174.127 2.247 18443 10726 1 16 . 1 1 76 76 VAL CA C 76 60.756 60.756 58.383 2.373 18443 10727 1 16 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.514 -1.601 18443 10728 1 16 . 1 1 76 76 VAL H H 76 8.024 8.024 7.876 0.148 18443 10729 1 16 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.414 -0.017 18443 10730 1 16 . 1 1 77 77 PRO C C 77 175.829 175.829 175.932 -0.103 18443 10731 1 16 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.501 0.961 18443 10732 1 16 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.599 -0.842 18443 10733 1 16 . 1 1 78 78 GLY N N 78 105.453 105.453 105.452 0.001 18443 10734 1 16 . 1 1 78 78 GLY C C 78 171.794 171.794 173.618 -1.824 18443 10735 1 16 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.013 -0.404 18443 10736 1 16 . 1 1 78 78 GLY H H 78 6.725 6.725 8.664 -1.939 18443 10737 1 16 . 1 1 79 79 THR N N 79 110.056 110.056 113.449 -3.393 18443 10738 1 16 . 1 1 79 79 THR HA H 79 4.886 4.886 4.638 0.248 18443 10739 1 16 . 1 1 79 79 THR CA C 79 57.957 57.957 60.901 -2.944 18443 10740 1 16 . 1 1 79 79 THR CB C 79 70.685 70.685 70.040 0.645 18443 10741 1 16 . 1 1 79 79 THR H H 79 8.771 8.771 7.650 1.121 18443 10742 1 16 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.815 0.264 18443 10743 1 16 . 1 1 80 80 PRO C C 80 176.536 176.536 175.418 1.118 18443 10744 1 16 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.182 0.377 18443 10745 1 16 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.424 3.247 18443 10746 1 16 . 1 1 81 81 THR N N 81 116.755 116.755 119.973 -3.218 18443 10747 1 16 . 1 1 81 81 THR HA H 81 5.425 5.425 5.567 -0.142 18443 10748 1 16 . 1 1 81 81 THR C C 81 171.960 171.960 173.156 -1.196 18443 10749 1 16 . 1 1 81 81 THR CA C 81 63.540 63.540 61.404 2.136 18443 10750 1 16 . 1 1 81 81 THR CB C 81 71.840 71.840 71.442 0.398 18443 10751 1 16 . 1 1 81 81 THR H H 81 8.176 8.176 7.880 0.296 18443 10752 1 16 . 1 1 82 82 PHE N N 82 126.263 126.263 126.786 -0.523 18443 10753 1 16 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.391 0.245 18443 10754 1 16 . 1 1 82 82 PHE C C 82 174.738 174.738 174.627 0.111 18443 10755 1 16 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.172 -0.402 18443 10756 1 16 . 1 1 82 82 PHE CB C 82 41.280 41.280 41.177 0.103 18443 10757 1 16 . 1 1 82 82 PHE H H 82 9.540 9.540 9.369 0.171 18443 10758 1 16 . 1 1 83 83 VAL N N 83 123.703 123.703 122.990 0.713 18443 10759 1 16 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.471 0.070 18443 10760 1 16 . 1 1 83 83 VAL C C 83 174.159 174.159 174.696 -0.537 18443 10761 1 16 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.168 0.861 18443 10762 1 16 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.713 1.394 18443 10763 1 16 . 1 1 83 83 VAL H H 83 9.208 9.208 9.155 0.053 18443 10764 1 16 . 1 1 84 84 PHE N N 84 126.003 126.003 127.329 -1.326 18443 10765 1 16 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.328 0.482 18443 10766 1 16 . 1 1 84 84 PHE C C 84 175.481 175.481 175.155 0.326 18443 10767 1 16 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.517 0.737 18443 10768 1 16 . 1 1 84 84 PHE CB C 84 41.812 41.812 39.819 1.993 18443 10769 1 16 . 1 1 84 84 PHE H H 84 8.878 8.878 8.613 0.265 18443 10770 1 16 . 1 1 85 85 LEU N N 85 123.597 123.597 124.363 -0.766 18443 10771 1 16 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.368 0.526 18443 10772 1 16 . 1 1 85 85 LEU C C 85 176.528 176.528 176.118 0.410 18443 10773 1 16 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.766 -0.396 18443 10774 1 16 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.593 3.606 18443 10775 1 16 . 1 1 85 85 LEU H H 85 9.604 9.604 9.209 0.395 18443 10776 1 16 . 1 1 86 86 VAL N N 86 118.274 118.274 123.483 -5.209 18443 10777 1 16 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.688 0.530 18443 10778 1 16 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.230 -1.669 18443 10779 1 16 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.667 1.826 18443 10780 1 16 . 1 1 86 86 VAL H H 86 9.457 9.457 9.155 0.302 18443 10781 1 16 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.358 -0.410 18443 10782 1 16 . 1 1 87 87 PRO C C 87 177.132 177.132 175.616 1.516 18443 10783 1 16 . 1 1 87 87 PRO CA C 87 62.363 62.363 62.499 -0.136 18443 10784 1 16 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.192 -0.534 18443 10785 1 16 . 1 1 88 88 LYS N N 88 124.554 124.554 125.341 -0.787 18443 10786 1 16 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.473 -0.194 18443 10787 1 16 . 1 1 88 88 LYS C C 88 175.739 175.739 176.159 -0.420 18443 10788 1 16 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.315 0.335 18443 10789 1 16 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.920 -0.222 18443 10790 1 16 . 1 1 88 88 LYS H H 88 8.119 8.119 8.460 -0.341 18443 10791 1 16 . 1 1 89 89 ALA N N 89 130.786 130.786 128.828 1.958 18443 10792 1 16 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.958 0.012 18443 10793 1 16 . 1 1 89 89 ALA C C 89 176.947 176.947 177.531 -0.584 18443 10794 1 16 . 1 1 89 89 ALA CA C 89 53.190 53.190 54.005 -0.815 18443 10795 1 16 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.689 -0.310 18443 10796 1 16 . 1 1 89 89 ALA H H 89 9.128 9.128 8.905 0.223 18443 10797 1 16 . 1 1 90 90 GLY N N 90 106.698 106.698 106.715 -0.017 18443 10798 1 16 . 1 1 90 90 GLY C C 90 173.352 173.352 173.036 0.316 18443 10799 1 16 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.143 0.443 18443 10800 1 16 . 1 1 90 90 GLY H H 90 8.393 8.393 8.169 0.224 18443 10801 1 16 . 1 1 91 91 ALA N N 91 125.038 125.038 122.291 2.747 18443 10802 1 16 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.582 -0.005 18443 10803 1 16 . 1 1 91 91 ALA C C 91 175.940 175.940 174.186 1.754 18443 10804 1 16 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.198 -0.736 18443 10805 1 16 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.732 -0.080 18443 10806 1 16 . 1 1 91 91 ALA H H 91 7.788 7.788 7.977 -0.189 18443 10807 1 16 . 1 1 92 92 TRP N N 92 120.760 120.760 118.853 1.907 18443 10808 1 16 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.548 -0.408 18443 10809 1 16 . 1 1 92 92 TRP C C 92 175.960 175.960 176.422 -0.462 18443 10810 1 16 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.123 0.728 18443 10811 1 16 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.705 0.968 18443 10812 1 16 . 1 1 92 92 TRP H H 92 8.235 8.235 8.268 -0.033 18443 10813 1 16 . 1 1 93 93 GLU N N 93 124.341 124.341 123.752 0.589 18443 10814 1 16 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.750 0.111 18443 10815 1 16 . 1 1 93 93 GLU C C 93 175.515 175.515 175.506 0.009 18443 10816 1 16 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.775 0.004 18443 10817 1 16 . 1 1 93 93 GLU CB C 93 33.192 33.192 32.900 0.292 18443 10818 1 16 . 1 1 93 93 GLU H H 93 9.264 9.264 9.002 0.262 18443 10819 1 16 . 1 1 94 94 GLU N N 94 126.987 126.987 129.582 -2.595 18443 10820 1 16 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.956 0.241 18443 10821 1 16 . 1 1 94 94 GLU C C 94 177.604 177.604 177.276 0.328 18443 10822 1 16 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.356 0.248 18443 10823 1 16 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.783 0.295 18443 10824 1 16 . 1 1 94 94 GLU H H 94 9.123 9.123 9.098 0.025 18443 10825 1 16 . 1 1 95 95 VAL N N 95 122.004 122.004 122.909 -0.905 18443 10826 1 16 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.415 0.277 18443 10827 1 16 . 1 1 95 95 VAL C C 95 175.719 175.719 174.549 1.170 18443 10828 1 16 . 1 1 95 95 VAL CA C 95 61.335 61.335 60.805 0.530 18443 10829 1 16 . 1 1 95 95 VAL CB C 95 33.265 33.265 31.749 1.516 18443 10830 1 16 . 1 1 95 95 VAL H H 95 9.099 9.099 8.593 0.506 18443 10831 1 16 . 1 1 96 96 GLY N N 96 107.961 107.961 106.698 1.263 18443 10832 1 16 . 1 1 96 96 GLY C C 96 171.052 171.052 171.737 -0.685 18443 10833 1 16 . 1 1 96 96 GLY CA C 96 46.112 46.112 44.757 1.355 18443 10834 1 16 . 1 1 96 96 GLY H H 96 7.754 7.754 7.560 0.194 18443 10835 1 16 . 1 1 97 97 ARG N N 97 117.467 117.467 121.273 -3.806 18443 10836 1 16 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.623 0.054 18443 10837 1 16 . 1 1 97 97 ARG C C 97 174.403 174.403 175.181 -0.778 18443 10838 1 16 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.436 1.190 18443 10839 1 16 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.466 0.847 18443 10840 1 16 . 1 1 97 97 ARG H H 97 8.489 8.489 8.455 0.034 18443 10841 1 16 . 1 1 98 98 LEU N N 98 122.922 122.922 124.441 -1.519 18443 10842 1 16 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.880 0.045 18443 10843 1 16 . 1 1 98 98 LEU C C 98 174.871 174.871 175.046 -0.175 18443 10844 1 16 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.199 -0.228 18443 10845 1 16 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.766 1.776 18443 10846 1 16 . 1 1 98 98 LEU H H 98 9.504 9.504 9.078 0.426 18443 10847 1 16 . 1 1 99 99 PHE N N 99 124.212 124.212 124.262 -0.050 18443 10848 1 16 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.961 -0.313 18443 10849 1 16 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.457 -0.706 18443 10850 1 16 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.969 -1.737 18443 10851 1 16 . 1 1 99 99 PHE H H 99 9.146 9.146 8.822 0.325 18443 10852 1 16 . 1 1 100 100 GLY N N 100 116.438 116.438 114.434 2.004 18443 10853 1 16 . 1 1 100 100 GLY C C 100 173.343 173.343 172.747 0.596 18443 10854 1 16 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.299 -0.863 18443 10855 1 16 . 1 1 100 100 GLY H H 100 8.464 8.464 7.069 1.395 18443 10856 1 16 . 1 1 101 101 SER N N 101 112.597 112.597 117.517 -4.920 18443 10857 1 16 . 1 1 101 101 SER HA H 101 4.616 4.616 4.519 0.097 18443 10858 1 16 . 1 1 101 101 SER C C 101 175.075 175.075 174.452 0.623 18443 10859 1 16 . 1 1 101 101 SER CA C 101 58.288 58.288 59.008 -0.720 18443 10860 1 16 . 1 1 101 101 SER CB C 101 64.305 64.305 63.844 0.461 18443 10861 1 16 . 1 1 101 101 SER H H 101 8.366 8.366 8.267 0.099 18443 10862 1 16 . 1 1 102 102 ARG N N 102 119.662 119.662 126.659 -6.997 18443 10863 1 16 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.787 0.144 18443 10864 1 16 . 1 1 102 102 ARG CA C 102 52.820 52.820 53.019 -0.199 18443 10865 1 16 . 1 1 102 102 ARG CB C 102 31.442 31.442 31.567 -0.125 18443 10866 1 16 . 1 1 102 102 ARG H H 102 7.767 7.767 7.951 -0.184 18443 10867 1 16 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.468 0.083 18443 10868 1 16 . 1 1 103 103 PRO C C 103 177.345 177.345 177.379 -0.034 18443 10869 1 16 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.236 -0.160 18443 10870 1 16 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.602 0.266 18443 10871 1 16 . 1 1 104 104 ARG N N 104 121.205 121.205 121.601 -0.396 18443 10872 1 16 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.926 0.006 18443 10873 1 16 . 1 1 104 104 ARG C C 104 177.368 177.368 178.171 -0.803 18443 10874 1 16 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.835 1.076 18443 10875 1 16 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.990 0.174 18443 10876 1 16 . 1 1 104 104 ARG H H 104 8.986 8.986 8.790 0.196 18443 10877 1 16 . 1 1 105 105 ALA N N 105 119.508 119.508 120.330 -0.822 18443 10878 1 16 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.168 -0.058 18443 10879 1 16 . 1 1 105 105 ALA C C 105 181.065 181.065 180.034 1.031 18443 10880 1 16 . 1 1 105 105 ALA CA C 105 55.745 55.745 55.041 0.704 18443 10881 1 16 . 1 1 105 105 ALA CB C 105 18.296 18.296 18.006 0.290 18443 10882 1 16 . 1 1 105 105 ALA H H 105 9.033 9.033 8.601 0.431 18443 10883 1 16 . 1 1 106 106 GLU N N 106 117.537 117.537 118.946 -1.409 18443 10884 1 16 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.133 -0.004 18443 10885 1 16 . 1 1 106 106 GLU C C 106 178.041 178.041 178.913 -0.872 18443 10886 1 16 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.320 0.473 18443 10887 1 16 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.192 1.042 18443 10888 1 16 . 1 1 106 106 GLU H H 106 7.201 7.201 7.819 -0.618 18443 10889 1 16 . 1 1 107 107 PHE N N 107 120.721 120.721 121.770 -1.049 18443 10890 1 16 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.176 0.008 18443 10891 1 16 . 1 1 107 107 PHE C C 107 177.235 177.235 177.297 -0.062 18443 10892 1 16 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.598 0.145 18443 10893 1 16 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.294 0.790 18443 10894 1 16 . 1 1 107 107 PHE H H 107 8.555 8.555 8.175 0.380 18443 10895 1 16 . 1 1 108 108 LEU N N 108 117.219 117.219 119.639 -2.420 18443 10896 1 16 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.720 0.111 18443 10897 1 16 . 1 1 108 108 LEU C C 108 178.406 178.406 178.686 -0.280 18443 10898 1 16 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.752 0.732 18443 10899 1 16 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.302 0.850 18443 10900 1 16 . 1 1 108 108 LEU H H 108 8.364 8.364 8.705 -0.341 18443 10901 1 16 . 1 1 109 109 LYS N N 109 118.680 118.680 120.131 -1.451 18443 10902 1 16 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.832 0.069 18443 10903 1 16 . 1 1 109 109 LYS C C 109 179.696 179.696 178.969 0.727 18443 10904 1 16 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.991 0.191 18443 10905 1 16 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.040 0.226 18443 10906 1 16 . 1 1 109 109 LYS H H 109 7.330 7.330 7.764 -0.434 18443 10907 1 16 . 1 1 110 110 GLU N N 110 119.802 119.802 118.907 0.895 18443 10908 1 16 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.912 0.049 18443 10909 1 16 . 1 1 110 110 GLU C C 110 179.903 179.903 178.778 1.125 18443 10910 1 16 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.693 0.431 18443 10911 1 16 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.159 -0.387 18443 10912 1 16 . 1 1 110 110 GLU H H 110 8.077 8.077 7.655 0.422 18443 10913 1 16 . 1 1 111 111 LEU N N 111 120.129 120.129 120.429 -0.300 18443 10914 1 16 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.543 -0.011 18443 10915 1 16 . 1 1 111 111 LEU C C 111 179.792 179.792 179.012 0.780 18443 10916 1 16 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.500 -0.066 18443 10917 1 16 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.082 1.646 18443 10918 1 16 . 1 1 111 111 LEU H H 111 8.341 8.341 8.159 0.182 18443 10919 1 16 . 1 1 112 112 ARG N N 112 118.350 118.350 118.634 -0.284 18443 10920 1 16 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.981 -0.085 18443 10921 1 16 . 1 1 112 112 ARG C C 112 179.446 179.446 178.742 0.704 18443 10922 1 16 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.753 1.570 18443 10923 1 16 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.413 0.465 18443 10924 1 16 . 1 1 112 112 ARG H H 112 8.166 8.166 8.436 -0.270 18443 10925 1 16 . 1 1 113 113 GLN N N 113 118.358 118.358 118.913 -0.555 18443 10926 1 16 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.142 -0.049 18443 10927 1 16 . 1 1 113 113 GLN C C 113 179.137 179.137 178.847 0.290 18443 10928 1 16 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.448 0.383 18443 10929 1 16 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.100 0.370 18443 10930 1 16 . 1 1 113 113 GLN H H 113 7.842 7.842 7.932 -0.090 18443 10931 1 16 . 1 1 114 114 VAL N N 114 120.174 120.174 121.362 -1.188 18443 10932 1 16 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.678 -0.027 18443 10933 1 16 . 1 1 114 114 VAL C C 114 177.853 177.853 177.751 0.102 18443 10934 1 16 . 1 1 114 114 VAL CA C 114 66.063 66.063 65.289 0.774 18443 10935 1 16 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.914 0.325 18443 10936 1 16 . 1 1 114 114 VAL H H 114 7.947 7.947 7.955 -0.008 18443 10937 1 16 . 1 1 115 115 CYS N N 115 117.549 117.549 118.403 -0.854 18443 10938 1 16 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.285 -0.205 18443 10939 1 16 . 1 1 115 115 CYS C C 115 177.204 177.204 177.936 -0.732 18443 10940 1 16 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.650 -0.076 18443 10941 1 16 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.996 -0.239 18443 10942 1 16 . 1 1 115 115 CYS H H 115 7.801 7.801 7.933 -0.132 18443 10943 1 16 . 1 1 116 116 VAL N N 116 119.053 119.053 120.287 -1.234 18443 10944 1 16 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.658 0.195 18443 10945 1 16 . 1 1 116 116 VAL C C 116 178.840 178.840 176.827 2.013 18443 10946 1 16 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.430 -0.988 18443 10947 1 16 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.387 0.521 18443 10948 1 16 . 1 1 116 116 VAL H H 116 7.465 7.465 7.821 -0.356 18443 10949 1 16 . 1 1 117 117 LYS N N 117 121.003 121.003 118.128 2.875 18443 10950 1 16 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.620 -0.444 18443 10951 1 16 . 1 1 117 117 LYS C C 117 178.689 178.689 177.615 1.074 18443 10952 1 16 . 1 1 117 117 LYS CA C 117 58.555 58.555 57.766 0.789 18443 10953 1 16 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.911 0.807 18443 10954 1 16 . 1 1 117 117 LYS H H 117 7.915 7.915 7.477 0.438 18443 10955 1 16 . 1 1 118 118 GLY N N 118 106.132 106.132 105.276 0.856 18443 10956 1 16 . 1 1 118 118 GLY C C 118 174.909 174.909 174.883 0.026 18443 10957 1 16 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.097 -0.133 18443 10958 1 16 . 1 1 118 118 GLY H H 118 8.472 8.472 7.472 1.000 18443 10959 1 16 . 1 1 119 119 GLY N N 119 107.977 107.977 108.395 -0.418 18443 10960 1 16 . 1 1 119 119 GLY C C 119 174.631 174.631 173.932 0.699 18443 10961 1 16 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.736 1.230 18443 10962 1 16 . 1 1 119 119 GLY H H 119 7.791 7.791 7.648 0.143 18443 10963 1 16 . 1 1 120 120 ALA N N 120 123.981 123.981 124.738 -0.757 18443 10964 1 16 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.742 -0.329 18443 10965 1 16 . 1 1 120 120 ALA C C 120 178.143 178.143 175.443 2.700 18443 10966 1 16 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.154 1.663 18443 10967 1 16 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.718 -0.616 18443 10968 1 16 . 1 1 120 120 ALA H H 120 8.171 8.171 8.096 0.075 18443 10969 1 16 . 1 1 121 121 CYS N N 121 117.342 117.342 122.626 -5.284 18443 10970 1 16 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.806 -0.296 18443 10971 1 16 . 1 1 121 121 CYS C C 121 175.318 175.318 174.885 0.433 18443 10972 1 16 . 1 1 121 121 CYS CA C 121 58.974 58.974 57.514 1.460 18443 10973 1 16 . 1 1 121 121 CYS CB C 121 28.109 28.109 28.135 -0.026 18443 10974 1 16 . 1 1 121 121 CYS H H 121 8.200 8.200 8.452 -0.252 18443 10975 1 16 . 1 1 122 122 GLY N N 122 110.351 110.351 114.005 -3.654 18443 10976 1 16 . 1 1 122 122 GLY C C 122 174.299 174.299 174.877 -0.578 18443 10977 1 16 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.365 0.160 18443 10978 1 16 . 1 1 122 122 GLY H H 122 8.367 8.367 8.343 0.024 18443 10979 1 16 . 1 1 123 123 GLU N N 123 120.589 120.589 121.938 -1.349 18443 10980 1 16 . 1 1 123 123 GLU HA H 123 4.307 4.307 3.831 0.476 18443 10981 1 16 . 1 1 123 123 GLU C C 123 177.296 177.296 177.248 0.048 18443 10982 1 16 . 1 1 123 123 GLU CA C 123 56.830 56.830 57.684 -0.854 18443 10983 1 16 . 1 1 123 123 GLU CB C 123 30.461 30.461 28.419 2.042 18443 10984 1 16 . 1 1 123 123 GLU H H 123 8.280 8.280 8.369 -0.089 18443 10985 1 16 . 1 1 124 124 GLY N N 124 109.521 109.521 107.953 1.568 18443 10986 1 16 . 1 1 124 124 GLY C C 124 174.189 174.189 174.108 0.081 18443 10987 1 16 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.710 -0.170 18443 10988 1 16 . 1 1 124 124 GLY H H 124 8.465 8.465 8.352 0.113 18443 10989 1 16 . 1 1 125 125 HIS N N 125 118.418 118.418 116.157 2.261 18443 10990 1 16 . 1 1 125 125 HIS CA C 125 55.971 55.971 55.840 0.131 18443 10991 1 16 . 1 1 125 125 HIS CB C 125 30.073 30.073 30.269 -0.196 18443 10992 1 16 . 1 1 125 125 HIS H H 125 8.244 8.244 8.327 -0.083 18443 10993 1 17 . 1 1 2 2 SER HA H 2 4.050 4.050 4.616 -0.566 18443 10994 1 17 . 1 1 2 2 SER CA C 2 57.351 57.351 57.952 -0.601 18443 10995 1 17 . 1 1 2 2 SER CB C 2 63.259 63.259 64.106 -0.847 18443 10996 1 17 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.366 -0.064 18443 10997 1 17 . 1 1 3 3 LEU C C 3 175.706 175.706 177.531 -1.825 18443 10998 1 17 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.565 -0.279 18443 10999 1 17 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.866 0.054 18443 11000 1 17 . 1 1 4 4 ARG N N 4 127.222 127.222 125.626 1.596 18443 11001 1 17 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.152 0.166 18443 11002 1 17 . 1 1 4 4 ARG C C 4 173.862 173.862 174.818 -0.956 18443 11003 1 17 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.679 0.301 18443 11004 1 17 . 1 1 4 4 ARG CB C 4 31.326 31.326 28.585 2.741 18443 11005 1 17 . 1 1 4 4 ARG H H 4 8.502 8.502 8.331 0.171 18443 11006 1 17 . 1 1 5 5 TRP N N 5 123.052 123.052 125.797 -2.745 18443 11007 1 17 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.238 -0.238 18443 11008 1 17 . 1 1 5 5 TRP C C 5 176.309 176.309 176.104 0.205 18443 11009 1 17 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.374 -0.693 18443 11010 1 17 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.797 1.093 18443 11011 1 17 . 1 1 5 5 TRP H H 5 8.184 8.184 8.052 0.132 18443 11012 1 17 . 1 1 6 6 TYR N N 6 120.957 120.957 122.707 -1.750 18443 11013 1 17 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.071 -0.092 18443 11014 1 17 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.771 1.413 18443 11015 1 17 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.701 0.636 18443 11016 1 17 . 1 1 6 6 TYR H H 6 8.818 8.818 9.326 -0.508 18443 11017 1 17 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.595 0.315 18443 11018 1 17 . 1 1 7 7 PRO C C 7 177.869 177.869 177.535 0.334 18443 11019 1 17 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.633 -0.055 18443 11020 1 17 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.659 0.286 18443 11021 1 17 . 1 1 8 8 TYR N N 8 122.256 122.256 123.231 -0.975 18443 11022 1 17 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.052 -0.009 18443 11023 1 17 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.181 -0.106 18443 11024 1 17 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.222 0.632 18443 11025 1 17 . 1 1 8 8 TYR H H 8 9.408 9.408 9.148 0.260 18443 11026 1 17 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.123 -0.081 18443 11027 1 17 . 1 1 9 9 PRO C C 9 180.472 180.472 178.788 1.684 18443 11028 1 17 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.751 0.635 18443 11029 1 17 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.267 -0.741 18443 11030 1 17 . 1 1 10 10 GLU N N 10 118.047 118.047 118.394 -0.347 18443 11031 1 17 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.066 -0.012 18443 11032 1 17 . 1 1 10 10 GLU C C 10 178.293 178.293 178.224 0.069 18443 11033 1 17 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.233 -0.203 18443 11034 1 17 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.367 0.942 18443 11035 1 17 . 1 1 10 10 GLU H H 10 7.093 7.093 8.565 -1.472 18443 11036 1 17 . 1 1 11 11 ALA N N 11 121.740 121.740 123.128 -1.388 18443 11037 1 17 . 1 1 11 11 ALA HA H 11 3.621 3.621 4.027 -0.406 18443 11038 1 17 . 1 1 11 11 ALA C C 11 178.890 178.890 179.513 -0.623 18443 11039 1 17 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.420 -0.901 18443 11040 1 17 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.529 0.516 18443 11041 1 17 . 1 1 11 11 ALA H H 11 8.447 8.447 8.664 -0.217 18443 11042 1 17 . 1 1 12 12 LEU N N 12 115.622 115.622 118.882 -3.260 18443 11043 1 17 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.637 -0.186 18443 11044 1 17 . 1 1 12 12 LEU C C 12 179.331 179.331 179.026 0.305 18443 11045 1 17 . 1 1 12 12 LEU CA C 12 58.523 58.523 58.041 0.482 18443 11046 1 17 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.928 -0.483 18443 11047 1 17 . 1 1 12 12 LEU H H 12 7.354 7.354 7.746 -0.392 18443 11048 1 17 . 1 1 13 13 ALA N N 13 120.240 120.240 122.236 -1.996 18443 11049 1 17 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.170 0.005 18443 11050 1 17 . 1 1 13 13 ALA C C 13 181.630 181.630 179.726 1.904 18443 11051 1 17 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.064 0.261 18443 11052 1 17 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.204 -0.049 18443 11053 1 17 . 1 1 13 13 ALA H H 13 7.201 7.201 7.646 -0.445 18443 11054 1 17 . 1 1 14 14 LEU N N 14 120.757 120.757 120.929 -0.172 18443 11055 1 17 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.126 -0.039 18443 11056 1 17 . 1 1 14 14 LEU C C 14 179.635 179.635 178.977 0.658 18443 11057 1 17 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.898 -0.210 18443 11058 1 17 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.742 1.050 18443 11059 1 17 . 1 1 14 14 LEU H H 14 8.202 8.202 8.243 -0.041 18443 11060 1 17 . 1 1 15 15 ALA N N 15 121.483 121.483 120.620 0.863 18443 11061 1 17 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.973 -0.099 18443 11062 1 17 . 1 1 15 15 ALA C C 15 180.839 180.839 179.528 1.311 18443 11063 1 17 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.469 0.779 18443 11064 1 17 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.348 1.288 18443 11065 1 17 . 1 1 15 15 ALA H H 15 8.594 8.594 8.288 0.306 18443 11066 1 17 . 1 1 16 16 GLN N N 16 117.131 117.131 119.447 -2.316 18443 11067 1 17 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.075 -0.106 18443 11068 1 17 . 1 1 16 16 GLN C C 16 178.701 178.701 178.065 0.636 18443 11069 1 17 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.831 0.322 18443 11070 1 17 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.655 0.224 18443 11071 1 17 . 1 1 16 16 GLN H H 16 8.609 8.609 8.307 0.302 18443 11072 1 17 . 1 1 17 17 ALA N N 17 120.088 120.088 119.365 0.723 18443 11073 1 17 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.145 -0.026 18443 11074 1 17 . 1 1 17 17 ALA C C 17 179.305 179.305 178.590 0.715 18443 11075 1 17 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.735 0.884 18443 11076 1 17 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.915 -0.652 18443 11077 1 17 . 1 1 17 17 ALA H H 17 7.635 7.635 8.132 -0.497 18443 11078 1 17 . 1 1 18 18 HIS N N 18 111.636 111.636 113.127 -1.491 18443 11079 1 17 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.747 0.065 18443 11080 1 17 . 1 1 18 18 HIS C C 18 175.021 175.021 176.113 -1.092 18443 11081 1 17 . 1 1 18 18 HIS CA C 18 55.537 55.537 56.442 -0.905 18443 11082 1 17 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.809 -0.598 18443 11083 1 17 . 1 1 18 18 HIS H H 18 7.728 7.728 7.698 0.030 18443 11084 1 17 . 1 1 19 19 GLY N N 19 111.899 111.899 108.951 2.948 18443 11085 1 17 . 1 1 19 19 GLY C C 19 175.071 175.071 174.551 0.520 18443 11086 1 17 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.852 1.803 18443 11087 1 17 . 1 1 19 19 GLY H H 19 7.886 7.886 8.603 -0.717 18443 11088 1 17 . 1 1 20 20 ARG N N 20 118.442 118.442 120.576 -2.134 18443 11089 1 17 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.179 0.432 18443 11090 1 17 . 1 1 20 20 ARG C C 20 174.586 174.586 175.667 -1.081 18443 11091 1 17 . 1 1 20 20 ARG CA C 20 54.512 54.512 56.128 -1.616 18443 11092 1 17 . 1 1 20 20 ARG CB C 20 34.275 34.275 31.167 3.108 18443 11093 1 17 . 1 1 20 20 ARG H H 20 8.239 8.239 7.622 0.617 18443 11094 1 17 . 1 1 21 21 MET N N 21 115.457 115.457 117.379 -1.922 18443 11095 1 17 . 1 1 21 21 MET HA H 21 4.870 4.870 4.633 0.237 18443 11096 1 17 . 1 1 21 21 MET C C 21 175.707 175.707 175.582 0.125 18443 11097 1 17 . 1 1 21 21 MET CA C 21 56.111 56.111 55.159 0.952 18443 11098 1 17 . 1 1 21 21 MET CB C 21 35.717 35.717 35.616 0.101 18443 11099 1 17 . 1 1 21 21 MET H H 21 7.193 7.193 8.573 -1.380 18443 11100 1 17 . 1 1 22 22 VAL N N 22 119.607 119.607 119.743 -0.136 18443 11101 1 17 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.671 0.639 18443 11102 1 17 . 1 1 22 22 VAL C C 22 176.506 176.506 174.825 1.681 18443 11103 1 17 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.329 -0.900 18443 11104 1 17 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.193 2.465 18443 11105 1 17 . 1 1 22 22 VAL H H 22 9.034 9.034 9.208 -0.174 18443 11106 1 17 . 1 1 23 23 MET N N 23 126.309 126.309 129.721 -3.412 18443 11107 1 17 . 1 1 23 23 MET HA H 23 4.878 4.878 4.645 0.233 18443 11108 1 17 . 1 1 23 23 MET C C 23 173.960 173.960 173.940 0.020 18443 11109 1 17 . 1 1 23 23 MET CA C 23 54.184 54.184 53.066 1.117 18443 11110 1 17 . 1 1 23 23 MET CB C 23 36.920 36.920 33.047 3.873 18443 11111 1 17 . 1 1 23 23 MET H H 23 8.704 8.704 9.122 -0.418 18443 11112 1 17 . 1 1 24 24 VAL N N 24 128.959 128.959 129.654 -0.695 18443 11113 1 17 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.105 0.233 18443 11114 1 17 . 1 1 24 24 VAL C C 24 174.245 174.245 174.095 0.150 18443 11115 1 17 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.278 -0.525 18443 11116 1 17 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.314 0.507 18443 11117 1 17 . 1 1 24 24 VAL H H 24 9.908 9.908 9.060 0.848 18443 11118 1 17 . 1 1 25 25 TYR N N 25 129.726 129.726 130.489 -0.763 18443 11119 1 17 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.082 0.145 18443 11120 1 17 . 1 1 25 25 TYR C C 25 173.393 173.393 173.928 -0.535 18443 11121 1 17 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.620 -2.537 18443 11122 1 17 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.883 -0.365 18443 11123 1 17 . 1 1 25 25 TYR H H 25 9.031 9.031 9.049 -0.018 18443 11124 1 17 . 1 1 26 26 PHE N N 26 126.719 126.719 128.278 -1.559 18443 11125 1 17 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.564 0.531 18443 11126 1 17 . 1 1 26 26 PHE C C 26 174.151 174.151 174.964 -0.813 18443 11127 1 17 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.326 0.112 18443 11128 1 17 . 1 1 26 26 PHE CB C 26 39.624 39.624 37.965 1.659 18443 11129 1 17 . 1 1 26 26 PHE H H 26 9.162 9.162 8.866 0.296 18443 11130 1 17 . 1 1 27 27 HIS N N 27 118.311 118.311 120.331 -2.020 18443 11131 1 17 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.709 0.453 18443 11132 1 17 . 1 1 27 27 HIS C C 27 173.044 173.044 173.555 -0.511 18443 11133 1 17 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.656 -0.196 18443 11134 1 17 . 1 1 27 27 HIS CB C 27 35.088 35.088 31.495 3.593 18443 11135 1 17 . 1 1 27 27 HIS H H 27 8.168 8.168 8.758 -0.590 18443 11136 1 17 . 1 1 28 28 SER N N 28 112.150 112.150 117.903 -5.753 18443 11137 1 17 . 1 1 28 28 SER HA H 28 4.790 4.790 4.674 0.116 18443 11138 1 17 . 1 1 28 28 SER C C 28 176.815 176.815 174.266 2.549 18443 11139 1 17 . 1 1 28 28 SER CA C 28 56.260 56.260 57.207 -0.947 18443 11140 1 17 . 1 1 28 28 SER CB C 28 65.470 65.470 66.189 -0.719 18443 11141 1 17 . 1 1 28 28 SER H H 28 7.545 7.545 8.667 -1.122 18443 11142 1 17 . 1 1 29 29 GLU N N 29 130.603 130.603 125.133 5.470 18443 11143 1 17 . 1 1 29 29 GLU HA H 29 4.100 4.100 3.952 0.148 18443 11144 1 17 . 1 1 29 29 GLU C C 29 176.980 176.980 176.127 0.853 18443 11145 1 17 . 1 1 29 29 GLU CA C 29 58.670 58.670 59.324 -0.654 18443 11146 1 17 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.684 -0.045 18443 11147 1 17 . 1 1 29 29 GLU H H 29 9.681 9.681 9.441 0.240 18443 11148 1 17 . 1 1 30 30 HIS N N 30 114.752 114.752 116.237 -1.485 18443 11149 1 17 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.765 -0.071 18443 11150 1 17 . 1 1 30 30 HIS C C 30 173.679 173.679 174.798 -1.119 18443 11151 1 17 . 1 1 30 30 HIS CA C 30 54.393 54.393 54.263 0.130 18443 11152 1 17 . 1 1 30 30 HIS CB C 30 29.372 29.372 28.685 0.687 18443 11153 1 17 . 1 1 30 30 HIS H H 30 8.226 8.226 8.394 -0.168 18443 11154 1 17 . 1 1 31 31 CYS N N 31 124.685 124.685 119.939 4.746 18443 11155 1 17 . 1 1 31 31 CYS HA H 31 4.946 4.946 5.008 -0.062 18443 11156 1 17 . 1 1 31 31 CYS C C 31 175.771 175.771 174.281 1.490 18443 11157 1 17 . 1 1 31 31 CYS CA C 31 56.116 56.116 54.793 1.323 18443 11158 1 17 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.587 3.828 18443 11159 1 17 . 1 1 31 31 CYS H H 31 7.091 7.091 7.691 -0.600 18443 11160 1 17 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.740 -0.406 18443 11161 1 17 . 1 1 32 32 PRO C C 32 179.352 179.352 176.302 3.050 18443 11162 1 17 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.585 0.608 18443 11163 1 17 . 1 1 32 32 PRO CB C 32 32.072 32.072 32.292 -0.220 18443 11164 1 17 . 1 1 33 33 TYR N N 33 125.092 125.092 117.405 7.687 18443 11165 1 17 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.474 0.021 18443 11166 1 17 . 1 1 33 33 TYR C C 33 179.457 179.457 177.637 1.820 18443 11167 1 17 . 1 1 33 33 TYR CA C 33 60.880 60.880 61.347 -0.467 18443 11168 1 17 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.806 -0.461 18443 11169 1 17 . 1 1 33 33 TYR H H 33 8.621 8.621 8.040 0.581 18443 11170 1 17 . 1 1 34 34 CYS N N 34 127.272 127.272 116.483 10.789 18443 11171 1 17 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.455 -0.120 18443 11172 1 17 . 1 1 34 34 CYS C C 34 176.672 176.672 176.268 0.404 18443 11173 1 17 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.476 3.683 18443 11174 1 17 . 1 1 34 34 CYS CB C 34 28.877 28.877 28.510 0.367 18443 11175 1 17 . 1 1 34 34 CYS H H 34 9.440 9.440 8.486 0.954 18443 11176 1 17 . 1 1 35 35 GLN N N 35 118.373 118.373 119.820 -1.447 18443 11177 1 17 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.961 0.098 18443 11178 1 17 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.710 0.664 18443 11179 1 17 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.381 0.195 18443 11180 1 17 . 1 1 35 35 GLN H H 35 7.866 7.866 8.604 -0.738 18443 11181 1 17 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.245 0.001 18443 11182 1 17 . 1 1 36 36 GLN C C 36 178.881 178.881 177.961 0.920 18443 11183 1 17 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.317 1.309 18443 11184 1 17 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.879 -0.274 18443 11185 1 17 . 1 1 37 37 MET N N 37 117.759 117.759 119.434 -1.675 18443 11186 1 17 . 1 1 37 37 MET HA H 37 4.488 4.488 4.337 0.151 18443 11187 1 17 . 1 1 37 37 MET C C 37 179.838 179.838 177.317 2.521 18443 11188 1 17 . 1 1 37 37 MET CA C 37 57.229 57.229 59.013 -1.784 18443 11189 1 17 . 1 1 37 37 MET CB C 37 29.983 29.983 32.738 -2.755 18443 11190 1 17 . 1 1 37 37 MET H H 37 8.125 8.125 7.574 0.551 18443 11191 1 17 . 1 1 38 38 ASN N N 38 122.249 122.249 118.659 3.590 18443 11192 1 17 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.498 -0.136 18443 11193 1 17 . 1 1 38 38 ASN C C 38 177.355 177.355 176.326 1.029 18443 11194 1 17 . 1 1 38 38 ASN CA C 38 56.435 56.435 55.648 0.787 18443 11195 1 17 . 1 1 38 38 ASN CB C 38 37.512 37.512 37.381 0.131 18443 11196 1 17 . 1 1 38 38 ASN H H 38 9.245 9.245 8.945 0.300 18443 11197 1 17 . 1 1 39 39 THR N N 39 113.554 113.554 115.017 -1.463 18443 11198 1 17 . 1 1 39 39 THR HA H 39 3.853 3.853 3.904 -0.051 18443 11199 1 17 . 1 1 39 39 THR C C 39 176.277 176.277 174.673 1.604 18443 11200 1 17 . 1 1 39 39 THR CA C 39 65.843 65.843 65.854 -0.011 18443 11201 1 17 . 1 1 39 39 THR CB C 39 69.595 69.595 68.733 0.862 18443 11202 1 17 . 1 1 39 39 THR H H 39 8.034 8.034 7.783 0.251 18443 11203 1 17 . 1 1 40 40 PHE N N 40 116.394 116.394 117.299 -0.905 18443 11204 1 17 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.340 0.480 18443 11205 1 17 . 1 1 40 40 PHE C C 40 176.255 176.255 177.228 -0.973 18443 11206 1 17 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.598 -0.883 18443 11207 1 17 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.769 2.116 18443 11208 1 17 . 1 1 40 40 PHE H H 40 8.309 8.309 7.277 1.032 18443 11209 1 17 . 1 1 41 41 VAL N N 41 117.246 117.246 118.919 -1.673 18443 11210 1 17 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.711 0.595 18443 11211 1 17 . 1 1 41 41 VAL C C 41 176.704 176.704 178.432 -1.728 18443 11212 1 17 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.241 -0.402 18443 11213 1 17 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.284 2.355 18443 11214 1 17 . 1 1 41 41 VAL H H 41 7.678 7.678 7.614 0.064 18443 11215 1 17 . 1 1 42 42 LEU N N 42 117.179 117.179 117.324 -0.145 18443 11216 1 17 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.029 -0.081 18443 11217 1 17 . 1 1 42 42 LEU C C 42 175.837 175.837 177.131 -1.294 18443 11218 1 17 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.839 1.457 18443 11219 1 17 . 1 1 42 42 LEU CB C 42 41.115 41.115 41.592 -0.477 18443 11220 1 17 . 1 1 42 42 LEU H H 42 8.882 8.882 8.315 0.567 18443 11221 1 17 . 1 1 43 43 SER N N 43 105.494 105.494 111.569 -6.075 18443 11222 1 17 . 1 1 43 43 SER HA H 43 4.408 4.408 4.402 0.006 18443 11223 1 17 . 1 1 43 43 SER C C 43 175.397 175.397 174.167 1.230 18443 11224 1 17 . 1 1 43 43 SER CA C 43 57.144 57.144 57.694 -0.550 18443 11225 1 17 . 1 1 43 43 SER CB C 43 64.117 64.117 63.552 0.565 18443 11226 1 17 . 1 1 43 43 SER H H 43 6.785 6.785 7.360 -0.575 18443 11227 1 17 . 1 1 44 44 ASP N N 44 126.617 126.617 124.317 2.300 18443 11228 1 17 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.627 0.184 18443 11229 1 17 . 1 1 44 44 ASP C C 44 175.644 175.644 175.933 -0.289 18443 11230 1 17 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.668 -0.995 18443 11231 1 17 . 1 1 44 44 ASP CB C 44 43.673 43.673 41.941 1.732 18443 11232 1 17 . 1 1 44 44 ASP H H 44 7.443 7.443 7.357 0.086 18443 11233 1 17 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.206 0.146 18443 11234 1 17 . 1 1 45 45 PRO C C 45 178.792 178.792 178.510 0.282 18443 11235 1 17 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.454 0.305 18443 11236 1 17 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.010 0.329 18443 11237 1 17 . 1 1 46 46 GLY N N 46 107.270 107.270 105.322 1.948 18443 11238 1 17 . 1 1 46 46 GLY C C 46 176.799 176.799 176.420 0.379 18443 11239 1 17 . 1 1 46 46 GLY CA C 46 47.028 47.028 47.057 -0.029 18443 11240 1 17 . 1 1 46 46 GLY H H 46 8.161 8.161 8.018 0.143 18443 11241 1 17 . 1 1 47 47 VAL N N 47 124.473 124.473 122.639 1.834 18443 11242 1 17 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.657 -0.062 18443 11243 1 17 . 1 1 47 47 VAL C C 47 177.886 177.886 178.209 -0.323 18443 11244 1 17 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.582 -0.082 18443 11245 1 17 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.635 0.790 18443 11246 1 17 . 1 1 47 47 VAL H H 47 8.344 8.344 7.861 0.483 18443 11247 1 17 . 1 1 48 48 SER N N 48 113.807 113.807 115.902 -2.095 18443 11248 1 17 . 1 1 48 48 SER HA H 48 4.053 4.053 4.108 -0.055 18443 11249 1 17 . 1 1 48 48 SER C C 48 176.889 176.889 176.718 0.171 18443 11250 1 17 . 1 1 48 48 SER CA C 48 62.777 62.777 62.618 0.159 18443 11251 1 17 . 1 1 48 48 SER CB C 48 62.884 62.884 62.900 -0.016 18443 11252 1 17 . 1 1 48 48 SER H H 48 9.023 9.023 8.449 0.574 18443 11253 1 17 . 1 1 49 49 ARG N N 49 119.875 119.875 120.875 -1.000 18443 11254 1 17 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.187 -0.023 18443 11255 1 17 . 1 1 49 49 ARG C C 49 179.398 179.398 178.737 0.661 18443 11256 1 17 . 1 1 49 49 ARG CA C 49 59.558 59.558 58.739 0.819 18443 11257 1 17 . 1 1 49 49 ARG CB C 49 30.247 30.247 30.151 0.096 18443 11258 1 17 . 1 1 49 49 ARG H H 49 8.081 8.081 8.444 -0.363 18443 11259 1 17 . 1 1 50 50 LEU N N 50 121.717 121.717 120.923 0.794 18443 11260 1 17 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.108 0.271 18443 11261 1 17 . 1 1 50 50 LEU C C 50 179.482 179.482 178.685 0.797 18443 11262 1 17 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.672 0.534 18443 11263 1 17 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.824 0.011 18443 11264 1 17 . 1 1 50 50 LEU H H 50 7.291 7.291 7.710 -0.419 18443 11265 1 17 . 1 1 51 51 LEU N N 51 118.677 118.677 119.513 -0.836 18443 11266 1 17 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.237 0.053 18443 11267 1 17 . 1 1 51 51 LEU C C 51 179.233 179.233 179.464 -0.231 18443 11268 1 17 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.361 0.982 18443 11269 1 17 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.270 2.116 18443 11270 1 17 . 1 1 51 51 LEU H H 51 8.358 8.358 7.640 0.718 18443 11271 1 17 . 1 1 52 52 GLU N N 52 116.437 116.437 118.297 -1.860 18443 11272 1 17 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.977 0.191 18443 11273 1 17 . 1 1 52 52 GLU C C 52 178.898 178.898 178.630 0.268 18443 11274 1 17 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.173 -0.180 18443 11275 1 17 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.201 1.004 18443 11276 1 17 . 1 1 52 52 GLU H H 52 8.715 8.715 8.619 0.096 18443 11277 1 17 . 1 1 53 53 ALA N N 53 119.092 119.092 120.375 -1.283 18443 11278 1 17 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.165 0.262 18443 11279 1 17 . 1 1 53 53 ALA C C 53 180.298 180.298 177.870 2.428 18443 11280 1 17 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.904 -0.341 18443 11281 1 17 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.405 0.813 18443 11282 1 17 . 1 1 53 53 ALA H H 53 7.782 7.782 7.751 0.031 18443 11283 1 17 . 1 1 54 54 ARG N N 54 111.562 111.562 113.368 -1.806 18443 11284 1 17 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.422 0.233 18443 11285 1 17 . 1 1 54 54 ARG C C 54 175.560 175.560 174.280 1.280 18443 11286 1 17 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.191 -0.160 18443 11287 1 17 . 1 1 54 54 ARG CB C 54 33.337 33.337 29.821 3.516 18443 11288 1 17 . 1 1 54 54 ARG H H 54 7.740 7.740 7.732 0.008 18443 11289 1 17 . 1 1 55 55 PHE N N 55 117.038 117.038 120.629 -3.591 18443 11290 1 17 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.552 0.110 18443 11291 1 17 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.204 -0.376 18443 11292 1 17 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.373 -0.091 18443 11293 1 17 . 1 1 55 55 PHE H H 55 8.555 8.555 8.533 0.022 18443 11294 1 17 . 1 1 56 56 VAL N N 56 121.038 121.038 123.081 -2.043 18443 11295 1 17 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.286 0.039 18443 11296 1 17 . 1 1 56 56 VAL C C 56 175.305 175.305 175.039 0.266 18443 11297 1 17 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.438 1.508 18443 11298 1 17 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.807 1.698 18443 11299 1 17 . 1 1 56 56 VAL H H 56 8.817 8.817 9.426 -0.609 18443 11300 1 17 . 1 1 57 57 VAL N N 57 125.781 125.781 129.507 -3.726 18443 11301 1 17 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.456 0.520 18443 11302 1 17 . 1 1 57 57 VAL C C 57 174.535 174.535 174.728 -0.193 18443 11303 1 17 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.457 -0.067 18443 11304 1 17 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.868 1.068 18443 11305 1 17 . 1 1 57 57 VAL H H 57 9.498 9.498 8.197 1.301 18443 11306 1 17 . 1 1 58 58 ALA N N 58 128.137 128.137 131.115 -2.978 18443 11307 1 17 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.573 0.048 18443 11308 1 17 . 1 1 58 58 ALA C C 58 175.953 175.953 176.586 -0.633 18443 11309 1 17 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.730 -0.966 18443 11310 1 17 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.313 1.402 18443 11311 1 17 . 1 1 58 58 ALA H H 58 9.062 9.062 9.176 -0.114 18443 11312 1 17 . 1 1 59 59 SER N N 59 117.343 117.343 120.911 -3.568 18443 11313 1 17 . 1 1 59 59 SER HA H 59 4.693 4.693 5.120 -0.427 18443 11314 1 17 . 1 1 59 59 SER C C 59 174.092 174.092 174.306 -0.214 18443 11315 1 17 . 1 1 59 59 SER CA C 59 56.135 56.135 57.899 -1.764 18443 11316 1 17 . 1 1 59 59 SER CB C 59 63.731 63.731 63.730 0.001 18443 11317 1 17 . 1 1 59 59 SER H H 59 8.676 8.676 8.547 0.129 18443 11318 1 17 . 1 1 60 60 VAL N N 60 129.829 129.829 130.126 -0.297 18443 11319 1 17 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.267 -0.338 18443 11320 1 17 . 1 1 60 60 VAL C C 60 172.999 172.999 174.153 -1.154 18443 11321 1 17 . 1 1 60 60 VAL CA C 60 61.522 61.522 60.893 0.629 18443 11322 1 17 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.771 -0.436 18443 11323 1 17 . 1 1 60 60 VAL H H 60 8.716 8.716 8.717 -0.001 18443 11324 1 17 . 1 1 61 61 SER N N 61 119.457 119.457 122.567 -3.110 18443 11325 1 17 . 1 1 61 61 SER HA H 61 4.211 4.211 4.578 -0.367 18443 11326 1 17 . 1 1 61 61 SER C C 61 178.511 178.511 176.131 2.380 18443 11327 1 17 . 1 1 61 61 SER CA C 61 55.404 55.404 56.570 -1.166 18443 11328 1 17 . 1 1 61 61 SER CB C 61 63.080 63.080 63.538 -0.458 18443 11329 1 17 . 1 1 61 61 SER H H 61 8.250 8.250 8.700 -0.451 18443 11330 1 17 . 1 1 62 62 VAL N N 62 123.331 123.331 119.941 3.390 18443 11331 1 17 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.989 0.052 18443 11332 1 17 . 1 1 62 62 VAL C C 62 174.434 174.434 175.778 -1.344 18443 11333 1 17 . 1 1 62 62 VAL CA C 62 62.777 62.777 63.468 -0.691 18443 11334 1 17 . 1 1 62 62 VAL CB C 62 29.867 29.867 31.274 -1.407 18443 11335 1 17 . 1 1 62 62 VAL H H 62 8.954 8.954 7.875 1.079 18443 11336 1 17 . 1 1 63 63 ASP N N 63 119.953 119.953 118.705 1.248 18443 11337 1 17 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.525 0.194 18443 11338 1 17 . 1 1 63 63 ASP C C 63 175.930 175.930 176.857 -0.927 18443 11339 1 17 . 1 1 63 63 ASP CA C 63 54.930 54.930 56.309 -1.379 18443 11340 1 17 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.015 0.203 18443 11341 1 17 . 1 1 63 63 ASP H H 63 7.966 7.966 8.501 -0.535 18443 11342 1 17 . 1 1 64 64 THR N N 64 108.822 108.822 112.798 -3.976 18443 11343 1 17 . 1 1 64 64 THR HA H 64 4.963 4.963 4.816 0.147 18443 11344 1 17 . 1 1 64 64 THR C C 64 173.012 173.012 174.105 -1.093 18443 11345 1 17 . 1 1 64 64 THR CA C 64 58.176 58.176 59.109 -0.933 18443 11346 1 17 . 1 1 64 64 THR CB C 64 70.326 70.326 70.046 0.280 18443 11347 1 17 . 1 1 64 64 THR H H 64 7.315 7.315 7.418 -0.103 18443 11348 1 17 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.073 0.215 18443 11349 1 17 . 1 1 65 65 PRO C C 65 180.307 180.307 178.661 1.646 18443 11350 1 17 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.265 -0.424 18443 11351 1 17 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.349 0.612 18443 11352 1 17 . 1 1 66 66 GLU N N 66 118.398 118.398 118.711 -0.313 18443 11353 1 17 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.109 0.052 18443 11354 1 17 . 1 1 66 66 GLU C C 66 179.940 179.940 178.886 1.054 18443 11355 1 17 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.607 0.332 18443 11356 1 17 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.664 1.207 18443 11357 1 17 . 1 1 66 66 GLU H H 66 9.304 9.304 8.899 0.405 18443 11358 1 17 . 1 1 67 67 GLY N N 67 110.592 110.592 109.280 1.312 18443 11359 1 17 . 1 1 67 67 GLY C C 67 176.529 176.529 176.422 0.107 18443 11360 1 17 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.374 0.490 18443 11361 1 17 . 1 1 67 67 GLY H H 67 8.172 8.172 8.332 -0.160 18443 11362 1 17 . 1 1 68 68 GLN N N 68 121.948 121.948 122.066 -0.118 18443 11363 1 17 . 1 1 68 68 GLN HA H 68 4.013 4.013 4.107 -0.094 18443 11364 1 17 . 1 1 68 68 GLN C C 68 179.366 179.366 178.454 0.912 18443 11365 1 17 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.777 0.414 18443 11366 1 17 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.868 -0.934 18443 11367 1 17 . 1 1 68 68 GLN H H 68 8.504 8.504 8.760 -0.256 18443 11368 1 17 . 1 1 69 69 GLU N N 69 120.280 120.280 121.408 -1.128 18443 11369 1 17 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.079 0.091 18443 11370 1 17 . 1 1 69 69 GLU C C 69 179.360 179.360 178.836 0.524 18443 11371 1 17 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.178 0.312 18443 11372 1 17 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.124 -0.193 18443 11373 1 17 . 1 1 69 69 GLU H H 69 7.815 7.815 8.214 -0.399 18443 11374 1 17 . 1 1 70 70 LEU N N 70 121.041 121.041 120.357 0.684 18443 11375 1 17 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.148 -0.032 18443 11376 1 17 . 1 1 70 70 LEU C C 70 178.961 178.961 179.201 -0.240 18443 11377 1 17 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.360 -0.167 18443 11378 1 17 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.351 1.376 18443 11379 1 17 . 1 1 70 70 LEU H H 70 7.758 7.758 7.976 -0.218 18443 11380 1 17 . 1 1 71 71 ALA N N 71 122.094 122.094 123.030 -0.936 18443 11381 1 17 . 1 1 71 71 ALA HA H 71 3.573 3.573 4.208 -0.635 18443 11382 1 17 . 1 1 71 71 ALA C C 71 179.966 179.966 179.694 0.272 18443 11383 1 17 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.261 -0.223 18443 11384 1 17 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.546 -1.127 18443 11385 1 17 . 1 1 71 71 ALA H H 71 8.745 8.745 8.666 0.079 18443 11386 1 17 . 1 1 72 72 ARG N N 72 118.463 118.463 117.741 0.722 18443 11387 1 17 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.014 0.107 18443 11388 1 17 . 1 1 72 72 ARG C C 72 180.905 180.905 178.134 2.771 18443 11389 1 17 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.892 0.631 18443 11390 1 17 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.820 0.482 18443 11391 1 17 . 1 1 72 72 ARG H H 72 7.862 7.862 8.302 -0.440 18443 11392 1 17 . 1 1 73 73 ARG N N 73 122.223 122.223 120.800 1.423 18443 11393 1 17 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.152 -0.194 18443 11394 1 17 . 1 1 73 73 ARG C C 73 178.562 178.562 178.246 0.316 18443 11395 1 17 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.651 0.887 18443 11396 1 17 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.663 -0.472 18443 11397 1 17 . 1 1 73 73 ARG H H 73 8.189 8.189 7.872 0.317 18443 11398 1 17 . 1 1 74 74 TYR N N 74 114.319 114.319 116.593 -2.274 18443 11399 1 17 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.522 -0.121 18443 11400 1 17 . 1 1 74 74 TYR C C 74 174.321 174.321 175.742 -1.421 18443 11401 1 17 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.460 0.324 18443 11402 1 17 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.933 0.331 18443 11403 1 17 . 1 1 74 74 TYR H H 74 8.047 8.047 8.530 -0.483 18443 11404 1 17 . 1 1 75 75 ARG N N 75 119.572 119.572 114.791 4.781 18443 11405 1 17 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.928 -0.059 18443 11406 1 17 . 1 1 75 75 ARG C C 75 175.880 175.880 175.207 0.673 18443 11407 1 17 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.936 -0.096 18443 11408 1 17 . 1 1 75 75 ARG CB C 75 26.508 26.508 26.552 -0.044 18443 11409 1 17 . 1 1 75 75 ARG H H 75 7.865 7.865 7.783 0.082 18443 11410 1 17 . 1 1 76 76 VAL N N 76 119.885 119.885 120.159 -0.274 18443 11411 1 17 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.109 -0.318 18443 11412 1 17 . 1 1 76 76 VAL C C 76 176.374 176.374 174.547 1.827 18443 11413 1 17 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.999 0.756 18443 11414 1 17 . 1 1 76 76 VAL CB C 76 31.913 31.913 31.881 0.032 18443 11415 1 17 . 1 1 76 76 VAL H H 76 8.024 8.024 7.600 0.424 18443 11416 1 17 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.453 -0.056 18443 11417 1 17 . 1 1 77 77 PRO C C 77 175.829 175.829 176.024 -0.195 18443 11418 1 17 . 1 1 77 77 PRO CA C 77 63.462 63.462 63.390 0.072 18443 11419 1 17 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.274 -0.517 18443 11420 1 17 . 1 1 78 78 GLY N N 78 105.453 105.453 104.442 1.011 18443 11421 1 17 . 1 1 78 78 GLY C C 78 171.794 171.794 173.450 -1.656 18443 11422 1 17 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.464 -0.855 18443 11423 1 17 . 1 1 78 78 GLY H H 78 6.725 6.725 7.912 -1.187 18443 11424 1 17 . 1 1 79 79 THR N N 79 110.056 110.056 116.140 -6.084 18443 11425 1 17 . 1 1 79 79 THR HA H 79 4.886 4.886 4.724 0.162 18443 11426 1 17 . 1 1 79 79 THR CA C 79 57.957 57.957 62.782 -4.825 18443 11427 1 17 . 1 1 79 79 THR CB C 79 70.685 70.685 69.466 1.219 18443 11428 1 17 . 1 1 79 79 THR H H 79 8.771 8.771 7.868 0.903 18443 11429 1 17 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.692 0.387 18443 11430 1 17 . 1 1 80 80 PRO C C 80 176.536 176.536 175.470 1.066 18443 11431 1 17 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.564 -0.005 18443 11432 1 17 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.772 2.899 18443 11433 1 17 . 1 1 81 81 THR N N 81 116.755 116.755 113.457 3.298 18443 11434 1 17 . 1 1 81 81 THR HA H 81 5.425 5.425 4.307 1.118 18443 11435 1 17 . 1 1 81 81 THR C C 81 171.960 171.960 172.959 -0.999 18443 11436 1 17 . 1 1 81 81 THR CA C 81 63.540 63.540 61.311 2.229 18443 11437 1 17 . 1 1 81 81 THR CB C 81 71.840 71.840 71.879 -0.039 18443 11438 1 17 . 1 1 81 81 THR H H 81 8.176 8.176 7.718 0.458 18443 11439 1 17 . 1 1 82 82 PHE N N 82 126.263 126.263 123.535 2.728 18443 11440 1 17 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.436 0.200 18443 11441 1 17 . 1 1 82 82 PHE C C 82 174.738 174.738 174.478 0.260 18443 11442 1 17 . 1 1 82 82 PHE CA C 82 55.770 55.770 55.746 0.024 18443 11443 1 17 . 1 1 82 82 PHE CB C 82 41.280 41.280 41.095 0.185 18443 11444 1 17 . 1 1 82 82 PHE H H 82 9.540 9.540 9.081 0.459 18443 11445 1 17 . 1 1 83 83 VAL N N 83 123.703 123.703 122.218 1.485 18443 11446 1 17 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.787 -0.246 18443 11447 1 17 . 1 1 83 83 VAL C C 83 174.159 174.159 174.569 -0.410 18443 11448 1 17 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.697 0.332 18443 11449 1 17 . 1 1 83 83 VAL CB C 83 35.107 35.107 34.143 0.964 18443 11450 1 17 . 1 1 83 83 VAL H H 83 9.208 9.208 9.104 0.104 18443 11451 1 17 . 1 1 84 84 PHE N N 84 126.003 126.003 127.257 -1.254 18443 11452 1 17 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.542 0.268 18443 11453 1 17 . 1 1 84 84 PHE C C 84 175.481 175.481 175.287 0.194 18443 11454 1 17 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.837 0.416 18443 11455 1 17 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.673 1.139 18443 11456 1 17 . 1 1 84 84 PHE H H 84 8.878 8.878 9.613 -0.735 18443 11457 1 17 . 1 1 85 85 LEU N N 85 123.597 123.597 123.095 0.502 18443 11458 1 17 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.717 0.177 18443 11459 1 17 . 1 1 85 85 LEU C C 85 176.528 176.528 176.329 0.199 18443 11460 1 17 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.450 -0.080 18443 11461 1 17 . 1 1 85 85 LEU CB C 85 48.199 48.199 45.116 3.083 18443 11462 1 17 . 1 1 85 85 LEU H H 85 9.604 9.604 9.426 0.178 18443 11463 1 17 . 1 1 86 86 VAL N N 86 118.274 118.274 121.462 -3.188 18443 11464 1 17 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.753 0.465 18443 11465 1 17 . 1 1 86 86 VAL CA C 86 57.561 57.561 58.758 -1.197 18443 11466 1 17 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.343 2.150 18443 11467 1 17 . 1 1 86 86 VAL H H 86 9.457 9.457 9.417 0.040 18443 11468 1 17 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.422 -0.474 18443 11469 1 17 . 1 1 87 87 PRO C C 87 177.132 177.132 175.953 1.179 18443 11470 1 17 . 1 1 87 87 PRO CA C 87 62.363 62.363 62.162 0.201 18443 11471 1 17 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.017 -0.359 18443 11472 1 17 . 1 1 88 88 LYS N N 88 124.554 124.554 125.951 -1.397 18443 11473 1 17 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.399 -0.120 18443 11474 1 17 . 1 1 88 88 LYS C C 88 175.739 175.739 176.076 -0.337 18443 11475 1 17 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.937 -0.287 18443 11476 1 17 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.621 0.077 18443 11477 1 17 . 1 1 88 88 LYS H H 88 8.119 8.119 8.719 -0.600 18443 11478 1 17 . 1 1 89 89 ALA N N 89 130.786 130.786 127.329 3.457 18443 11479 1 17 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.983 -0.013 18443 11480 1 17 . 1 1 89 89 ALA C C 89 176.947 176.947 177.635 -0.688 18443 11481 1 17 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.187 0.003 18443 11482 1 17 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.420 -0.041 18443 11483 1 17 . 1 1 89 89 ALA H H 89 9.128 9.128 9.079 0.049 18443 11484 1 17 . 1 1 90 90 GLY N N 90 106.698 106.698 103.073 3.625 18443 11485 1 17 . 1 1 90 90 GLY C C 90 173.352 173.352 174.074 -0.722 18443 11486 1 17 . 1 1 90 90 GLY CA C 90 45.586 45.586 44.477 1.109 18443 11487 1 17 . 1 1 90 90 GLY H H 90 8.393 8.393 8.074 0.319 18443 11488 1 17 . 1 1 91 91 ALA N N 91 125.038 125.038 123.121 1.917 18443 11489 1 17 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.541 0.036 18443 11490 1 17 . 1 1 91 91 ALA C C 91 175.940 175.940 174.893 1.047 18443 11491 1 17 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.554 -0.092 18443 11492 1 17 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.539 0.113 18443 11493 1 17 . 1 1 91 91 ALA H H 91 7.788 7.788 7.486 0.302 18443 11494 1 17 . 1 1 92 92 TRP N N 92 120.760 120.760 118.604 2.156 18443 11495 1 17 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.571 -0.431 18443 11496 1 17 . 1 1 92 92 TRP C C 92 175.960 175.960 176.360 -0.400 18443 11497 1 17 . 1 1 92 92 TRP CA C 92 56.851 56.851 55.960 0.891 18443 11498 1 17 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.611 1.062 18443 11499 1 17 . 1 1 92 92 TRP H H 92 8.235 8.235 8.298 -0.063 18443 11500 1 17 . 1 1 93 93 GLU N N 93 124.341 124.341 124.422 -0.081 18443 11501 1 17 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.757 0.104 18443 11502 1 17 . 1 1 93 93 GLU C C 93 175.515 175.515 175.459 0.056 18443 11503 1 17 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.704 0.075 18443 11504 1 17 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.144 0.049 18443 11505 1 17 . 1 1 93 93 GLU H H 93 9.264 9.264 9.198 0.066 18443 11506 1 17 . 1 1 94 94 GLU N N 94 126.987 126.987 129.075 -2.088 18443 11507 1 17 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.566 0.631 18443 11508 1 17 . 1 1 94 94 GLU C C 94 177.604 177.604 176.163 1.441 18443 11509 1 17 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.222 -0.618 18443 11510 1 17 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.473 0.605 18443 11511 1 17 . 1 1 94 94 GLU H H 94 9.123 9.123 9.149 -0.026 18443 11512 1 17 . 1 1 95 95 VAL N N 95 122.004 122.004 127.181 -5.177 18443 11513 1 17 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.259 0.433 18443 11514 1 17 . 1 1 95 95 VAL C C 95 175.719 175.719 174.309 1.410 18443 11515 1 17 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.677 -0.342 18443 11516 1 17 . 1 1 95 95 VAL CB C 95 33.265 33.265 33.593 -0.328 18443 11517 1 17 . 1 1 95 95 VAL H H 95 9.099 9.099 8.976 0.123 18443 11518 1 17 . 1 1 96 96 GLY N N 96 107.961 107.961 107.252 0.709 18443 11519 1 17 . 1 1 96 96 GLY C C 96 171.052 171.052 171.532 -0.480 18443 11520 1 17 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.748 0.364 18443 11521 1 17 . 1 1 96 96 GLY H H 96 7.754 7.754 7.619 0.135 18443 11522 1 17 . 1 1 97 97 ARG N N 97 117.467 117.467 124.545 -7.078 18443 11523 1 17 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.484 0.193 18443 11524 1 17 . 1 1 97 97 ARG C C 97 174.403 174.403 174.793 -0.390 18443 11525 1 17 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.884 0.742 18443 11526 1 17 . 1 1 97 97 ARG CB C 97 34.313 34.313 32.356 1.957 18443 11527 1 17 . 1 1 97 97 ARG H H 97 8.489 8.489 8.296 0.193 18443 11528 1 17 . 1 1 98 98 LEU N N 98 122.922 122.922 125.362 -2.440 18443 11529 1 17 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.962 -0.037 18443 11530 1 17 . 1 1 98 98 LEU C C 98 174.871 174.871 175.226 -0.355 18443 11531 1 17 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.048 -0.077 18443 11532 1 17 . 1 1 98 98 LEU CB C 98 46.542 46.542 46.008 0.534 18443 11533 1 17 . 1 1 98 98 LEU H H 98 9.504 9.504 9.396 0.108 18443 11534 1 17 . 1 1 99 99 PHE N N 99 124.212 124.212 123.010 1.202 18443 11535 1 17 . 1 1 99 99 PHE HA H 99 5.648 5.648 4.651 0.997 18443 11536 1 17 . 1 1 99 99 PHE CA C 99 55.751 55.751 57.153 -1.402 18443 11537 1 17 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.248 -0.016 18443 11538 1 17 . 1 1 99 99 PHE H H 99 9.146 9.146 8.631 0.515 18443 11539 1 17 . 1 1 100 100 GLY N N 100 116.438 116.438 115.890 0.548 18443 11540 1 17 . 1 1 100 100 GLY C C 100 173.343 173.343 172.589 0.754 18443 11541 1 17 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.612 -1.176 18443 11542 1 17 . 1 1 100 100 GLY H H 100 8.464 8.464 7.485 0.979 18443 11543 1 17 . 1 1 101 101 SER N N 101 112.597 112.597 116.089 -3.492 18443 11544 1 17 . 1 1 101 101 SER HA H 101 4.616 4.616 4.504 0.112 18443 11545 1 17 . 1 1 101 101 SER C C 101 175.075 175.075 174.663 0.412 18443 11546 1 17 . 1 1 101 101 SER CA C 101 58.288 58.288 58.725 -0.437 18443 11547 1 17 . 1 1 101 101 SER CB C 101 64.305 64.305 64.120 0.185 18443 11548 1 17 . 1 1 101 101 SER H H 101 8.366 8.366 8.519 -0.153 18443 11549 1 17 . 1 1 102 102 ARG N N 102 119.662 119.662 123.550 -3.888 18443 11550 1 17 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.885 0.046 18443 11551 1 17 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.586 0.234 18443 11552 1 17 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.410 1.032 18443 11553 1 17 . 1 1 102 102 ARG H H 102 7.767 7.767 8.024 -0.257 18443 11554 1 17 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.406 0.145 18443 11555 1 17 . 1 1 103 103 PRO C C 103 177.345 177.345 177.450 -0.105 18443 11556 1 17 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.719 -0.643 18443 11557 1 17 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.464 0.404 18443 11558 1 17 . 1 1 104 104 ARG N N 104 121.205 121.205 125.656 -4.451 18443 11559 1 17 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.910 0.022 18443 11560 1 17 . 1 1 104 104 ARG C C 104 177.368 177.368 178.240 -0.872 18443 11561 1 17 . 1 1 104 104 ARG CA C 104 60.911 60.911 60.191 0.720 18443 11562 1 17 . 1 1 104 104 ARG CB C 104 30.164 30.164 30.107 0.057 18443 11563 1 17 . 1 1 104 104 ARG H H 104 8.986 8.986 8.872 0.114 18443 11564 1 17 . 1 1 105 105 ALA N N 105 119.508 119.508 120.157 -0.649 18443 11565 1 17 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.134 -0.025 18443 11566 1 17 . 1 1 105 105 ALA C C 105 181.065 181.065 179.595 1.470 18443 11567 1 17 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.958 0.787 18443 11568 1 17 . 1 1 105 105 ALA CB C 105 18.296 18.296 18.014 0.282 18443 11569 1 17 . 1 1 105 105 ALA H H 105 9.033 9.033 8.522 0.511 18443 11570 1 17 . 1 1 106 106 GLU N N 106 117.537 117.537 118.088 -0.551 18443 11571 1 17 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.181 -0.052 18443 11572 1 17 . 1 1 106 106 GLU C C 106 178.041 178.041 178.438 -0.397 18443 11573 1 17 . 1 1 106 106 GLU CA C 106 58.793 58.793 57.888 0.905 18443 11574 1 17 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.590 0.644 18443 11575 1 17 . 1 1 106 106 GLU H H 106 7.201 7.201 7.979 -0.778 18443 11576 1 17 . 1 1 107 107 PHE N N 107 120.721 120.721 122.816 -2.095 18443 11577 1 17 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.111 0.073 18443 11578 1 17 . 1 1 107 107 PHE C C 107 177.235 177.235 176.924 0.311 18443 11579 1 17 . 1 1 107 107 PHE CA C 107 61.743 61.743 62.353 -0.610 18443 11580 1 17 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.422 0.660 18443 11581 1 17 . 1 1 107 107 PHE H H 107 8.555 8.555 8.964 -0.409 18443 11582 1 17 . 1 1 108 108 LEU N N 108 117.219 117.219 118.766 -1.547 18443 11583 1 17 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.787 0.044 18443 11584 1 17 . 1 1 108 108 LEU C C 108 178.406 178.406 178.587 -0.181 18443 11585 1 17 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.482 1.002 18443 11586 1 17 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.397 0.755 18443 11587 1 17 . 1 1 108 108 LEU H H 108 8.364 8.364 8.628 -0.264 18443 11588 1 17 . 1 1 109 109 LYS N N 109 118.680 118.680 120.523 -1.843 18443 11589 1 17 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.843 0.058 18443 11590 1 17 . 1 1 109 109 LYS C C 109 179.696 179.696 178.641 1.055 18443 11591 1 17 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.847 0.335 18443 11592 1 17 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.122 0.144 18443 11593 1 17 . 1 1 109 109 LYS H H 109 7.330 7.330 7.706 -0.376 18443 11594 1 17 . 1 1 110 110 GLU N N 110 119.802 119.802 118.820 0.982 18443 11595 1 17 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.913 0.048 18443 11596 1 17 . 1 1 110 110 GLU C C 110 179.903 179.903 178.996 0.907 18443 11597 1 17 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.999 0.125 18443 11598 1 17 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.106 -0.334 18443 11599 1 17 . 1 1 110 110 GLU H H 110 8.077 8.077 8.404 -0.327 18443 11600 1 17 . 1 1 111 111 LEU N N 111 120.129 120.129 120.510 -0.381 18443 11601 1 17 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.562 -0.030 18443 11602 1 17 . 1 1 111 111 LEU C C 111 179.792 179.792 179.156 0.636 18443 11603 1 17 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.432 0.002 18443 11604 1 17 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.577 1.151 18443 11605 1 17 . 1 1 111 111 LEU H H 111 8.341 8.341 7.941 0.400 18443 11606 1 17 . 1 1 112 112 ARG N N 112 118.350 118.350 119.273 -0.923 18443 11607 1 17 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.991 -0.095 18443 11608 1 17 . 1 1 112 112 ARG C C 112 179.446 179.446 178.890 0.556 18443 11609 1 17 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.475 1.848 18443 11610 1 17 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.083 0.795 18443 11611 1 17 . 1 1 112 112 ARG H H 112 8.166 8.166 8.423 -0.257 18443 11612 1 17 . 1 1 113 113 GLN N N 113 118.358 118.358 119.051 -0.693 18443 11613 1 17 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.042 0.051 18443 11614 1 17 . 1 1 113 113 GLN C C 113 179.137 179.137 178.706 0.431 18443 11615 1 17 . 1 1 113 113 GLN CA C 113 58.831 58.831 59.012 -0.181 18443 11616 1 17 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.429 0.041 18443 11617 1 17 . 1 1 113 113 GLN H H 113 7.842 7.842 8.051 -0.209 18443 11618 1 17 . 1 1 114 114 VAL N N 114 120.174 120.174 119.526 0.648 18443 11619 1 17 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.785 -0.134 18443 11620 1 17 . 1 1 114 114 VAL C C 114 177.853 177.853 178.041 -0.188 18443 11621 1 17 . 1 1 114 114 VAL CA C 114 66.063 66.063 65.164 0.899 18443 11622 1 17 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.896 0.343 18443 11623 1 17 . 1 1 114 114 VAL H H 114 7.947 7.947 7.620 0.327 18443 11624 1 17 . 1 1 115 115 CYS N N 115 117.549 117.549 118.872 -1.323 18443 11625 1 17 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.097 -0.017 18443 11626 1 17 . 1 1 115 115 CYS C C 115 177.204 177.204 177.151 0.053 18443 11627 1 17 . 1 1 115 115 CYS CA C 115 63.574 63.574 64.079 -0.505 18443 11628 1 17 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.821 -0.064 18443 11629 1 17 . 1 1 115 115 CYS H H 115 7.801 7.801 8.255 -0.454 18443 11630 1 17 . 1 1 116 116 VAL N N 116 119.053 119.053 119.699 -0.646 18443 11631 1 17 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.697 0.156 18443 11632 1 17 . 1 1 116 116 VAL C C 116 178.840 178.840 177.384 1.456 18443 11633 1 17 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.644 -1.202 18443 11634 1 17 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.655 0.253 18443 11635 1 17 . 1 1 116 116 VAL H H 116 7.465 7.465 8.151 -0.686 18443 11636 1 17 . 1 1 117 117 LYS N N 117 121.003 121.003 120.351 0.652 18443 11637 1 17 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.529 -0.353 18443 11638 1 17 . 1 1 117 117 LYS C C 117 178.689 178.689 179.399 -0.710 18443 11639 1 17 . 1 1 117 117 LYS CA C 117 58.555 58.555 58.712 -0.157 18443 11640 1 17 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.967 0.751 18443 11641 1 17 . 1 1 117 117 LYS H H 117 7.915 7.915 7.792 0.123 18443 11642 1 17 . 1 1 118 118 GLY N N 118 106.132 106.132 106.974 -0.842 18443 11643 1 17 . 1 1 118 118 GLY C C 118 174.909 174.909 175.321 -0.412 18443 11644 1 17 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.968 -1.004 18443 11645 1 17 . 1 1 118 118 GLY H H 118 8.472 8.472 8.285 0.187 18443 11646 1 17 . 1 1 119 119 GLY N N 119 107.977 107.977 108.383 -0.406 18443 11647 1 17 . 1 1 119 119 GLY C C 119 174.631 174.631 174.019 0.612 18443 11648 1 17 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.846 1.120 18443 11649 1 17 . 1 1 119 119 GLY H H 119 7.791 7.791 7.703 0.088 18443 11650 1 17 . 1 1 120 120 ALA N N 120 123.981 123.981 124.627 -0.646 18443 11651 1 17 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.894 -0.481 18443 11652 1 17 . 1 1 120 120 ALA C C 120 178.143 178.143 176.660 1.483 18443 11653 1 17 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.085 1.731 18443 11654 1 17 . 1 1 120 120 ALA CB C 120 19.102 19.102 17.808 1.294 18443 11655 1 17 . 1 1 120 120 ALA H H 120 8.171 8.171 8.357 -0.186 18443 11656 1 17 . 1 1 121 121 CYS N N 121 117.342 117.342 122.240 -4.898 18443 11657 1 17 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.718 -0.208 18443 11658 1 17 . 1 1 121 121 CYS C C 121 175.318 175.318 175.719 -0.401 18443 11659 1 17 . 1 1 121 121 CYS CA C 121 58.974 58.974 58.361 0.613 18443 11660 1 17 . 1 1 121 121 CYS CB C 121 28.109 28.109 29.518 -1.409 18443 11661 1 17 . 1 1 121 121 CYS H H 121 8.200 8.200 8.356 -0.156 18443 11662 1 17 . 1 1 122 122 GLY N N 122 110.351 110.351 111.448 -1.097 18443 11663 1 17 . 1 1 122 122 GLY C C 122 174.299 174.299 173.004 1.295 18443 11664 1 17 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.787 -0.262 18443 11665 1 17 . 1 1 122 122 GLY H H 122 8.367 8.367 8.547 -0.180 18443 11666 1 17 . 1 1 123 123 GLU N N 123 120.589 120.589 122.108 -1.519 18443 11667 1 17 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.831 -0.524 18443 11668 1 17 . 1 1 123 123 GLU C C 123 177.296 177.296 176.724 0.572 18443 11669 1 17 . 1 1 123 123 GLU CA C 123 56.830 56.830 55.541 1.288 18443 11670 1 17 . 1 1 123 123 GLU CB C 123 30.461 30.461 32.739 -2.278 18443 11671 1 17 . 1 1 123 123 GLU H H 123 8.280 8.280 7.763 0.517 18443 11672 1 17 . 1 1 124 124 GLY N N 124 109.521 109.521 114.544 -5.023 18443 11673 1 17 . 1 1 124 124 GLY C C 124 174.189 174.189 174.982 -0.793 18443 11674 1 17 . 1 1 124 124 GLY CA C 124 45.540 45.540 44.824 0.716 18443 11675 1 17 . 1 1 124 124 GLY H H 124 8.465 8.465 9.117 -0.652 18443 11676 1 17 . 1 1 125 125 HIS N N 125 118.418 118.418 118.861 -0.443 18443 11677 1 17 . 1 1 125 125 HIS CA C 125 55.971 55.971 58.793 -2.822 18443 11678 1 17 . 1 1 125 125 HIS CB C 125 30.073 30.073 29.021 1.052 18443 11679 1 17 . 1 1 125 125 HIS H H 125 8.244 8.244 7.896 0.348 18443 11680 1 18 . 1 1 2 2 SER HA H 2 4.050 4.050 4.623 -0.573 18443 11681 1 18 . 1 1 2 2 SER CA C 2 57.351 57.351 58.248 -0.897 18443 11682 1 18 . 1 1 2 2 SER CB C 2 63.259 63.259 64.210 -0.951 18443 11683 1 18 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.541 -0.239 18443 11684 1 18 . 1 1 3 3 LEU C C 3 175.706 175.706 177.161 -1.455 18443 11685 1 18 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.058 0.228 18443 11686 1 18 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.766 0.154 18443 11687 1 18 . 1 1 4 4 ARG N N 4 127.222 127.222 126.391 0.831 18443 11688 1 18 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.237 0.081 18443 11689 1 18 . 1 1 4 4 ARG C C 4 173.862 173.862 175.036 -1.174 18443 11690 1 18 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.913 0.067 18443 11691 1 18 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.416 1.910 18443 11692 1 18 . 1 1 4 4 ARG H H 4 8.502 8.502 8.797 -0.295 18443 11693 1 18 . 1 1 5 5 TRP N N 5 123.052 123.052 126.214 -3.162 18443 11694 1 18 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.099 -0.099 18443 11695 1 18 . 1 1 5 5 TRP C C 5 176.309 176.309 176.244 0.065 18443 11696 1 18 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.541 -0.861 18443 11697 1 18 . 1 1 5 5 TRP CB C 5 30.890 30.890 29.563 1.327 18443 11698 1 18 . 1 1 5 5 TRP H H 5 8.184 8.184 8.439 -0.255 18443 11699 1 18 . 1 1 6 6 TYR N N 6 120.957 120.957 123.185 -2.228 18443 11700 1 18 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.048 -0.069 18443 11701 1 18 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.824 1.360 18443 11702 1 18 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.351 0.986 18443 11703 1 18 . 1 1 6 6 TYR H H 6 8.818 8.818 9.296 -0.478 18443 11704 1 18 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.470 0.440 18443 11705 1 18 . 1 1 7 7 PRO C C 7 177.869 177.869 177.187 0.682 18443 11706 1 18 . 1 1 7 7 PRO CA C 7 62.578 62.578 63.120 -0.542 18443 11707 1 18 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.539 0.406 18443 11708 1 18 . 1 1 8 8 TYR N N 8 122.256 122.256 123.046 -0.790 18443 11709 1 18 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.078 -0.035 18443 11710 1 18 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.539 -0.464 18443 11711 1 18 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.026 0.828 18443 11712 1 18 . 1 1 8 8 TYR H H 8 9.408 9.408 9.437 -0.029 18443 11713 1 18 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.057 -0.015 18443 11714 1 18 . 1 1 9 9 PRO C C 9 180.472 180.472 178.745 1.727 18443 11715 1 18 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.791 0.595 18443 11716 1 18 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.280 -0.754 18443 11717 1 18 . 1 1 10 10 GLU N N 10 118.047 118.047 118.053 -0.006 18443 11718 1 18 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.005 0.049 18443 11719 1 18 . 1 1 10 10 GLU C C 10 178.293 178.293 178.199 0.094 18443 11720 1 18 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.227 -0.197 18443 11721 1 18 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.347 0.962 18443 11722 1 18 . 1 1 10 10 GLU H H 10 7.093 7.093 8.574 -1.481 18443 11723 1 18 . 1 1 11 11 ALA N N 11 121.740 121.740 122.886 -1.146 18443 11724 1 18 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.997 -0.376 18443 11725 1 18 . 1 1 11 11 ALA C C 11 178.890 178.890 179.449 -0.559 18443 11726 1 18 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.319 -0.800 18443 11727 1 18 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.573 0.472 18443 11728 1 18 . 1 1 11 11 ALA H H 11 8.447 8.447 8.524 -0.077 18443 11729 1 18 . 1 1 12 12 LEU N N 12 115.622 115.622 118.774 -3.152 18443 11730 1 18 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.672 -0.221 18443 11731 1 18 . 1 1 12 12 LEU C C 12 179.331 179.331 178.996 0.335 18443 11732 1 18 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.733 0.791 18443 11733 1 18 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.823 -0.378 18443 11734 1 18 . 1 1 12 12 LEU H H 12 7.354 7.354 7.518 -0.164 18443 11735 1 18 . 1 1 13 13 ALA N N 13 120.240 120.240 122.381 -2.141 18443 11736 1 18 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.095 0.080 18443 11737 1 18 . 1 1 13 13 ALA C C 13 181.630 181.630 179.658 1.972 18443 11738 1 18 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.130 0.195 18443 11739 1 18 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.104 0.051 18443 11740 1 18 . 1 1 13 13 ALA H H 13 7.201 7.201 7.580 -0.379 18443 11741 1 18 . 1 1 14 14 LEU N N 14 120.757 120.757 120.537 0.220 18443 11742 1 18 . 1 1 14 14 LEU HA H 14 4.087 4.087 4.040 0.047 18443 11743 1 18 . 1 1 14 14 LEU C C 14 179.635 179.635 178.922 0.713 18443 11744 1 18 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.966 -0.278 18443 11745 1 18 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.683 1.109 18443 11746 1 18 . 1 1 14 14 LEU H H 14 8.202 8.202 7.630 0.572 18443 11747 1 18 . 1 1 15 15 ALA N N 15 121.483 121.483 119.580 1.903 18443 11748 1 18 . 1 1 15 15 ALA HA H 15 3.874 3.874 4.026 -0.152 18443 11749 1 18 . 1 1 15 15 ALA C C 15 180.839 180.839 179.896 0.943 18443 11750 1 18 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.318 0.930 18443 11751 1 18 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.398 1.238 18443 11752 1 18 . 1 1 15 15 ALA H H 15 8.594 8.594 7.876 0.718 18443 11753 1 18 . 1 1 16 16 GLN N N 16 117.131 117.131 119.790 -2.659 18443 11754 1 18 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.081 -0.112 18443 11755 1 18 . 1 1 16 16 GLN C C 16 178.701 178.701 177.685 1.016 18443 11756 1 18 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.204 0.949 18443 11757 1 18 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.608 0.271 18443 11758 1 18 . 1 1 16 16 GLN H H 16 8.609 8.609 8.214 0.395 18443 11759 1 18 . 1 1 17 17 ALA N N 17 120.088 120.088 120.152 -0.064 18443 11760 1 18 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.223 -0.104 18443 11761 1 18 . 1 1 17 17 ALA C C 17 179.305 179.305 178.496 0.809 18443 11762 1 18 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.764 0.855 18443 11763 1 18 . 1 1 17 17 ALA CB C 17 18.263 18.263 19.145 -0.882 18443 11764 1 18 . 1 1 17 17 ALA H H 17 7.635 7.635 7.967 -0.332 18443 11765 1 18 . 1 1 18 18 HIS N N 18 111.636 111.636 113.467 -1.831 18443 11766 1 18 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.710 0.102 18443 11767 1 18 . 1 1 18 18 HIS C C 18 175.021 175.021 175.762 -0.741 18443 11768 1 18 . 1 1 18 18 HIS CA C 18 55.537 55.537 56.221 -0.684 18443 11769 1 18 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.596 -0.385 18443 11770 1 18 . 1 1 18 18 HIS H H 18 7.728 7.728 7.728 -0.000 18443 11771 1 18 . 1 1 19 19 GLY N N 19 111.899 111.899 109.060 2.839 18443 11772 1 18 . 1 1 19 19 GLY C C 19 175.071 175.071 174.348 0.723 18443 11773 1 18 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.620 2.034 18443 11774 1 18 . 1 1 19 19 GLY H H 19 7.886 7.886 8.244 -0.358 18443 11775 1 18 . 1 1 20 20 ARG N N 20 118.442 118.442 119.074 -0.632 18443 11776 1 18 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.455 0.156 18443 11777 1 18 . 1 1 20 20 ARG C C 20 174.586 174.586 175.584 -0.998 18443 11778 1 18 . 1 1 20 20 ARG CA C 20 54.512 54.512 54.018 0.494 18443 11779 1 18 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.190 2.085 18443 11780 1 18 . 1 1 20 20 ARG H H 20 8.239 8.239 7.928 0.311 18443 11781 1 18 . 1 1 21 21 MET N N 21 115.457 115.457 118.410 -2.953 18443 11782 1 18 . 1 1 21 21 MET HA H 21 4.870 4.870 4.663 0.206 18443 11783 1 18 . 1 1 21 21 MET C C 21 175.707 175.707 174.975 0.732 18443 11784 1 18 . 1 1 21 21 MET CA C 21 56.111 56.111 55.167 0.944 18443 11785 1 18 . 1 1 21 21 MET CB C 21 35.717 35.717 35.576 0.141 18443 11786 1 18 . 1 1 21 21 MET H H 21 7.193 7.193 8.602 -1.409 18443 11787 1 18 . 1 1 22 22 VAL N N 22 119.607 119.607 120.874 -1.267 18443 11788 1 18 . 1 1 22 22 VAL HA H 22 5.310 5.310 5.001 0.309 18443 11789 1 18 . 1 1 22 22 VAL C C 22 176.506 176.506 174.759 1.747 18443 11790 1 18 . 1 1 22 22 VAL CA C 22 60.429 60.429 60.869 -0.440 18443 11791 1 18 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.350 2.308 18443 11792 1 18 . 1 1 22 22 VAL H H 22 9.034 9.034 8.965 0.069 18443 11793 1 18 . 1 1 23 23 MET N N 23 126.309 126.309 128.525 -2.216 18443 11794 1 18 . 1 1 23 23 MET HA H 23 4.878 4.878 4.770 0.108 18443 11795 1 18 . 1 1 23 23 MET C C 23 173.960 173.960 174.260 -0.300 18443 11796 1 18 . 1 1 23 23 MET CA C 23 54.184 54.184 54.227 -0.043 18443 11797 1 18 . 1 1 23 23 MET CB C 23 36.920 36.920 34.300 2.620 18443 11798 1 18 . 1 1 23 23 MET H H 23 8.704 8.704 8.785 -0.081 18443 11799 1 18 . 1 1 24 24 VAL N N 24 128.959 128.959 129.059 -0.100 18443 11800 1 18 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.013 0.325 18443 11801 1 18 . 1 1 24 24 VAL C C 24 174.245 174.245 174.136 0.109 18443 11802 1 18 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.922 -0.169 18443 11803 1 18 . 1 1 24 24 VAL CB C 24 31.821 31.821 30.389 1.432 18443 11804 1 18 . 1 1 24 24 VAL H H 24 9.908 9.908 9.106 0.802 18443 11805 1 18 . 1 1 25 25 TYR N N 25 129.726 129.726 130.878 -1.152 18443 11806 1 18 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.918 0.309 18443 11807 1 18 . 1 1 25 25 TYR C C 25 173.393 173.393 173.658 -0.265 18443 11808 1 18 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.891 -2.808 18443 11809 1 18 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.484 0.034 18443 11810 1 18 . 1 1 25 25 TYR H H 25 9.031 9.031 8.458 0.573 18443 11811 1 18 . 1 1 26 26 PHE N N 26 126.719 126.719 127.587 -0.868 18443 11812 1 18 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.772 0.323 18443 11813 1 18 . 1 1 26 26 PHE C C 26 174.151 174.151 175.112 -0.961 18443 11814 1 18 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.704 -0.266 18443 11815 1 18 . 1 1 26 26 PHE CB C 26 39.624 39.624 38.985 0.639 18443 11816 1 18 . 1 1 26 26 PHE H H 26 9.162 9.162 8.998 0.164 18443 11817 1 18 . 1 1 27 27 HIS N N 27 118.311 118.311 118.741 -0.430 18443 11818 1 18 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.379 -0.217 18443 11819 1 18 . 1 1 27 27 HIS C C 27 173.044 173.044 173.911 -0.867 18443 11820 1 18 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.017 0.443 18443 11821 1 18 . 1 1 27 27 HIS CB C 27 35.088 35.088 33.344 1.744 18443 11822 1 18 . 1 1 27 27 HIS H H 27 8.168 8.168 9.004 -0.836 18443 11823 1 18 . 1 1 28 28 SER N N 28 112.150 112.150 113.153 -1.003 18443 11824 1 18 . 1 1 28 28 SER HA H 28 4.790 4.790 5.284 -0.494 18443 11825 1 18 . 1 1 28 28 SER C C 28 176.815 176.815 175.944 0.871 18443 11826 1 18 . 1 1 28 28 SER CA C 28 56.260 56.260 56.048 0.212 18443 11827 1 18 . 1 1 28 28 SER CB C 28 65.470 65.470 66.741 -1.271 18443 11828 1 18 . 1 1 28 28 SER H H 28 7.545 7.545 8.526 -0.981 18443 11829 1 18 . 1 1 29 29 GLU N N 29 130.603 130.603 121.451 9.152 18443 11830 1 18 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.175 -0.075 18443 11831 1 18 . 1 1 29 29 GLU C C 29 176.980 176.980 176.572 0.408 18443 11832 1 18 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.588 0.082 18443 11833 1 18 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.287 0.352 18443 11834 1 18 . 1 1 29 29 GLU H H 29 9.681 9.681 8.898 0.783 18443 11835 1 18 . 1 1 30 30 HIS N N 30 114.752 114.752 116.329 -1.577 18443 11836 1 18 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.828 -0.134 18443 11837 1 18 . 1 1 30 30 HIS C C 30 173.679 173.679 174.718 -1.039 18443 11838 1 18 . 1 1 30 30 HIS CA C 30 54.393 54.393 53.349 1.044 18443 11839 1 18 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.384 -0.012 18443 11840 1 18 . 1 1 30 30 HIS H H 30 8.226 8.226 7.705 0.521 18443 11841 1 18 . 1 1 31 31 CYS N N 31 124.685 124.685 121.703 2.982 18443 11842 1 18 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.522 0.424 18443 11843 1 18 . 1 1 31 31 CYS C C 31 175.771 175.771 174.903 0.868 18443 11844 1 18 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.419 -0.303 18443 11845 1 18 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.047 4.368 18443 11846 1 18 . 1 1 31 31 CYS H H 31 7.091 7.091 7.585 -0.494 18443 11847 1 18 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.238 0.096 18443 11848 1 18 . 1 1 32 32 PRO C C 32 179.352 179.352 178.627 0.725 18443 11849 1 18 . 1 1 32 32 PRO CA C 32 64.193 64.193 65.179 -0.986 18443 11850 1 18 . 1 1 32 32 PRO CB C 32 32.072 32.072 31.896 0.176 18443 11851 1 18 . 1 1 33 33 TYR N N 33 125.092 125.092 117.777 7.315 18443 11852 1 18 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.469 0.026 18443 11853 1 18 . 1 1 33 33 TYR C C 33 179.457 179.457 177.098 2.359 18443 11854 1 18 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.707 0.173 18443 11855 1 18 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.387 -0.042 18443 11856 1 18 . 1 1 33 33 TYR H H 33 8.621 8.621 8.630 -0.009 18443 11857 1 18 . 1 1 34 34 CYS N N 34 127.272 127.272 119.125 8.147 18443 11858 1 18 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.231 0.104 18443 11859 1 18 . 1 1 34 34 CYS C C 34 176.672 176.672 176.191 0.481 18443 11860 1 18 . 1 1 34 34 CYS CA C 34 64.159 64.159 61.006 3.153 18443 11861 1 18 . 1 1 34 34 CYS CB C 34 28.877 28.877 26.942 1.935 18443 11862 1 18 . 1 1 34 34 CYS H H 34 9.440 9.440 8.552 0.888 18443 11863 1 18 . 1 1 35 35 GLN N N 35 118.373 118.373 118.093 0.280 18443 11864 1 18 . 1 1 35 35 GLN HA H 35 4.059 4.059 4.258 -0.199 18443 11865 1 18 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.312 1.062 18443 11866 1 18 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.765 -0.189 18443 11867 1 18 . 1 1 35 35 GLN H H 35 7.866 7.866 7.945 -0.079 18443 11868 1 18 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.161 0.085 18443 11869 1 18 . 1 1 36 36 GLN C C 36 178.881 178.881 178.564 0.317 18443 11870 1 18 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.407 1.219 18443 11871 1 18 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.581 0.024 18443 11872 1 18 . 1 1 37 37 MET N N 37 117.759 117.759 119.683 -1.924 18443 11873 1 18 . 1 1 37 37 MET HA H 37 4.488 4.488 4.154 0.334 18443 11874 1 18 . 1 1 37 37 MET C C 37 179.838 179.838 178.197 1.641 18443 11875 1 18 . 1 1 37 37 MET CA C 37 57.229 57.229 59.957 -2.728 18443 11876 1 18 . 1 1 37 37 MET CB C 37 29.983 29.983 32.801 -2.818 18443 11877 1 18 . 1 1 37 37 MET H H 37 8.125 8.125 8.108 0.017 18443 11878 1 18 . 1 1 38 38 ASN N N 38 122.249 122.249 117.897 4.352 18443 11879 1 18 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.469 -0.107 18443 11880 1 18 . 1 1 38 38 ASN C C 38 177.355 177.355 177.098 0.257 18443 11881 1 18 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.664 -0.229 18443 11882 1 18 . 1 1 38 38 ASN CB C 38 37.512 37.512 37.145 0.367 18443 11883 1 18 . 1 1 38 38 ASN H H 38 9.245 9.245 8.633 0.612 18443 11884 1 18 . 1 1 39 39 THR N N 39 113.554 113.554 116.640 -3.086 18443 11885 1 18 . 1 1 39 39 THR HA H 39 3.853 3.853 3.898 -0.045 18443 11886 1 18 . 1 1 39 39 THR C C 39 176.277 176.277 175.517 0.760 18443 11887 1 18 . 1 1 39 39 THR CA C 39 65.843 65.843 66.298 -0.455 18443 11888 1 18 . 1 1 39 39 THR CB C 39 69.595 69.595 68.424 1.171 18443 11889 1 18 . 1 1 39 39 THR H H 39 8.034 8.034 7.498 0.536 18443 11890 1 18 . 1 1 40 40 PHE N N 40 116.394 116.394 118.591 -2.197 18443 11891 1 18 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.435 0.385 18443 11892 1 18 . 1 1 40 40 PHE C C 40 176.255 176.255 177.480 -1.225 18443 11893 1 18 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.257 -1.542 18443 11894 1 18 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.512 2.373 18443 11895 1 18 . 1 1 40 40 PHE H H 40 8.309 8.309 7.993 0.316 18443 11896 1 18 . 1 1 41 41 VAL N N 41 117.246 117.246 118.714 -1.468 18443 11897 1 18 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.791 0.515 18443 11898 1 18 . 1 1 41 41 VAL C C 41 176.704 176.704 178.570 -1.866 18443 11899 1 18 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.237 -0.398 18443 11900 1 18 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.348 2.292 18443 11901 1 18 . 1 1 41 41 VAL H H 41 7.678 7.678 7.635 0.043 18443 11902 1 18 . 1 1 42 42 LEU N N 42 117.179 117.179 119.876 -2.697 18443 11903 1 18 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.019 -0.071 18443 11904 1 18 . 1 1 42 42 LEU C C 42 175.837 175.837 177.914 -2.077 18443 11905 1 18 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.793 0.503 18443 11906 1 18 . 1 1 42 42 LEU CB C 42 41.115 41.115 41.784 -0.669 18443 11907 1 18 . 1 1 42 42 LEU H H 42 8.882 8.882 8.649 0.233 18443 11908 1 18 . 1 1 43 43 SER N N 43 105.494 105.494 112.383 -6.889 18443 11909 1 18 . 1 1 43 43 SER HA H 43 4.408 4.408 4.390 0.018 18443 11910 1 18 . 1 1 43 43 SER C C 43 175.397 175.397 173.986 1.411 18443 11911 1 18 . 1 1 43 43 SER CA C 43 57.144 57.144 59.406 -2.262 18443 11912 1 18 . 1 1 43 43 SER CB C 43 64.117 64.117 63.152 0.965 18443 11913 1 18 . 1 1 43 43 SER H H 43 6.785 6.785 7.549 -0.764 18443 11914 1 18 . 1 1 44 44 ASP N N 44 126.617 126.617 123.913 2.704 18443 11915 1 18 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.654 0.157 18443 11916 1 18 . 1 1 44 44 ASP C C 44 175.644 175.644 175.608 0.036 18443 11917 1 18 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.149 -0.476 18443 11918 1 18 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.239 1.434 18443 11919 1 18 . 1 1 44 44 ASP H H 44 7.443 7.443 7.306 0.137 18443 11920 1 18 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.168 0.184 18443 11921 1 18 . 1 1 45 45 PRO C C 45 178.792 178.792 178.342 0.450 18443 11922 1 18 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.495 0.264 18443 11923 1 18 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.935 0.404 18443 11924 1 18 . 1 1 46 46 GLY N N 46 107.270 107.270 105.040 2.230 18443 11925 1 18 . 1 1 46 46 GLY C C 46 176.799 176.799 176.194 0.605 18443 11926 1 18 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.891 0.137 18443 11927 1 18 . 1 1 46 46 GLY H H 46 8.161 8.161 8.111 0.050 18443 11928 1 18 . 1 1 47 47 VAL N N 47 124.473 124.473 122.299 2.174 18443 11929 1 18 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.700 -0.105 18443 11930 1 18 . 1 1 47 47 VAL C C 47 177.886 177.886 178.249 -0.363 18443 11931 1 18 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.374 0.126 18443 11932 1 18 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.509 0.916 18443 11933 1 18 . 1 1 47 47 VAL H H 47 8.344 8.344 7.941 0.403 18443 11934 1 18 . 1 1 48 48 SER N N 48 113.807 113.807 115.832 -2.025 18443 11935 1 18 . 1 1 48 48 SER HA H 48 4.053 4.053 4.222 -0.169 18443 11936 1 18 . 1 1 48 48 SER C C 48 176.889 176.889 176.856 0.033 18443 11937 1 18 . 1 1 48 48 SER CA C 48 62.777 62.777 61.496 1.281 18443 11938 1 18 . 1 1 48 48 SER CB C 48 62.884 62.884 62.708 0.176 18443 11939 1 18 . 1 1 48 48 SER H H 48 9.023 9.023 8.795 0.228 18443 11940 1 18 . 1 1 49 49 ARG N N 49 119.875 119.875 122.310 -2.435 18443 11941 1 18 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.140 0.024 18443 11942 1 18 . 1 1 49 49 ARG C C 49 179.398 179.398 178.723 0.675 18443 11943 1 18 . 1 1 49 49 ARG CA C 49 59.558 59.558 58.775 0.783 18443 11944 1 18 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.775 0.472 18443 11945 1 18 . 1 1 49 49 ARG H H 49 8.081 8.081 7.730 0.351 18443 11946 1 18 . 1 1 50 50 LEU N N 50 121.717 121.717 119.758 1.959 18443 11947 1 18 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.045 0.334 18443 11948 1 18 . 1 1 50 50 LEU C C 50 179.482 179.482 178.864 0.618 18443 11949 1 18 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.989 0.218 18443 11950 1 18 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.806 0.029 18443 11951 1 18 . 1 1 50 50 LEU H H 50 7.291 7.291 7.614 -0.323 18443 11952 1 18 . 1 1 51 51 LEU N N 51 118.677 118.677 119.568 -0.891 18443 11953 1 18 . 1 1 51 51 LEU HA H 51 4.290 4.290 3.982 0.308 18443 11954 1 18 . 1 1 51 51 LEU C C 51 179.233 179.233 178.996 0.237 18443 11955 1 18 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.796 0.547 18443 11956 1 18 . 1 1 51 51 LEU CB C 51 42.386 42.386 41.585 0.801 18443 11957 1 18 . 1 1 51 51 LEU H H 51 8.358 8.358 7.705 0.653 18443 11958 1 18 . 1 1 52 52 GLU N N 52 116.437 116.437 119.863 -3.426 18443 11959 1 18 . 1 1 52 52 GLU HA H 52 4.168 4.168 4.089 0.079 18443 11960 1 18 . 1 1 52 52 GLU C C 52 178.898 178.898 177.955 0.943 18443 11961 1 18 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.045 -0.052 18443 11962 1 18 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.439 0.766 18443 11963 1 18 . 1 1 52 52 GLU H H 52 8.715 8.715 8.294 0.421 18443 11964 1 18 . 1 1 53 53 ALA N N 53 119.092 119.092 119.920 -0.828 18443 11965 1 18 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.563 -0.136 18443 11966 1 18 . 1 1 53 53 ALA C C 53 180.298 180.298 178.155 2.143 18443 11967 1 18 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.232 0.331 18443 11968 1 18 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.805 0.413 18443 11969 1 18 . 1 1 53 53 ALA H H 53 7.782 7.782 7.869 -0.087 18443 11970 1 18 . 1 1 54 54 ARG N N 54 111.562 111.562 113.872 -2.310 18443 11971 1 18 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.623 0.032 18443 11972 1 18 . 1 1 54 54 ARG C C 54 175.560 175.560 175.079 0.481 18443 11973 1 18 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.244 -0.213 18443 11974 1 18 . 1 1 54 54 ARG CB C 54 33.337 33.337 31.083 2.254 18443 11975 1 18 . 1 1 54 54 ARG H H 54 7.740 7.740 7.828 -0.088 18443 11976 1 18 . 1 1 55 55 PHE N N 55 117.038 117.038 120.686 -3.648 18443 11977 1 18 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.597 0.065 18443 11978 1 18 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.056 -0.228 18443 11979 1 18 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.474 0.808 18443 11980 1 18 . 1 1 55 55 PHE H H 55 8.555 8.555 8.019 0.536 18443 11981 1 18 . 1 1 56 56 VAL N N 56 121.038 121.038 123.562 -2.524 18443 11982 1 18 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.302 0.023 18443 11983 1 18 . 1 1 56 56 VAL C C 56 175.305 175.305 175.080 0.225 18443 11984 1 18 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.686 1.260 18443 11985 1 18 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.480 2.025 18443 11986 1 18 . 1 1 56 56 VAL H H 56 8.817 8.817 9.445 -0.628 18443 11987 1 18 . 1 1 57 57 VAL N N 57 125.781 125.781 129.128 -3.347 18443 11988 1 18 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.176 0.800 18443 11989 1 18 . 1 1 57 57 VAL C C 57 174.535 174.535 174.461 0.074 18443 11990 1 18 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.601 -0.211 18443 11991 1 18 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.605 1.331 18443 11992 1 18 . 1 1 57 57 VAL H H 57 9.498 9.498 8.335 1.163 18443 11993 1 18 . 1 1 58 58 ALA N N 58 128.137 128.137 130.930 -2.793 18443 11994 1 18 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.435 0.186 18443 11995 1 18 . 1 1 58 58 ALA C C 58 175.953 175.953 176.956 -1.003 18443 11996 1 18 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.596 -0.832 18443 11997 1 18 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.549 1.166 18443 11998 1 18 . 1 1 58 58 ALA H H 58 9.062 9.062 9.031 0.031 18443 11999 1 18 . 1 1 59 59 SER N N 59 117.343 117.343 121.232 -3.889 18443 12000 1 18 . 1 1 59 59 SER HA H 59 4.693 4.693 4.843 -0.150 18443 12001 1 18 . 1 1 59 59 SER C C 59 174.092 174.092 173.981 0.111 18443 12002 1 18 . 1 1 59 59 SER CA C 59 56.135 56.135 57.426 -1.291 18443 12003 1 18 . 1 1 59 59 SER CB C 59 63.731 63.731 62.983 0.748 18443 12004 1 18 . 1 1 59 59 SER H H 59 8.676 8.676 9.131 -0.455 18443 12005 1 18 . 1 1 60 60 VAL N N 60 129.829 129.829 126.934 2.895 18443 12006 1 18 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.154 -0.225 18443 12007 1 18 . 1 1 60 60 VAL C C 60 172.999 172.999 174.272 -1.273 18443 12008 1 18 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.682 -0.160 18443 12009 1 18 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.582 -0.247 18443 12010 1 18 . 1 1 60 60 VAL H H 60 8.716 8.716 8.265 0.451 18443 12011 1 18 . 1 1 61 61 SER N N 61 119.457 119.457 120.891 -1.434 18443 12012 1 18 . 1 1 61 61 SER HA H 61 4.211 4.211 4.819 -0.608 18443 12013 1 18 . 1 1 61 61 SER C C 61 178.511 178.511 175.064 3.447 18443 12014 1 18 . 1 1 61 61 SER CA C 61 55.404 55.404 55.856 -0.452 18443 12015 1 18 . 1 1 61 61 SER CB C 61 63.080 63.080 64.886 -1.806 18443 12016 1 18 . 1 1 61 61 SER H H 61 8.250 8.250 8.538 -0.288 18443 12017 1 18 . 1 1 62 62 VAL N N 62 123.331 123.331 130.307 -6.976 18443 12018 1 18 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.880 0.162 18443 12019 1 18 . 1 1 62 62 VAL C C 62 174.434 174.434 174.524 -0.090 18443 12020 1 18 . 1 1 62 62 VAL CA C 62 62.777 62.777 63.740 -0.963 18443 12021 1 18 . 1 1 62 62 VAL CB C 62 29.867 29.867 29.875 -0.008 18443 12022 1 18 . 1 1 62 62 VAL H H 62 8.954 8.954 8.859 0.095 18443 12023 1 18 . 1 1 63 63 ASP N N 63 119.953 119.953 119.124 0.829 18443 12024 1 18 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.704 0.016 18443 12025 1 18 . 1 1 63 63 ASP C C 63 175.930 175.930 176.240 -0.310 18443 12026 1 18 . 1 1 63 63 ASP CA C 63 54.930 54.930 54.255 0.675 18443 12027 1 18 . 1 1 63 63 ASP CB C 63 41.218 41.218 42.099 -0.881 18443 12028 1 18 . 1 1 63 63 ASP H H 63 7.966 7.966 8.397 -0.431 18443 12029 1 18 . 1 1 64 64 THR N N 64 108.822 108.822 113.916 -5.094 18443 12030 1 18 . 1 1 64 64 THR HA H 64 4.963 4.963 4.698 0.265 18443 12031 1 18 . 1 1 64 64 THR C C 64 173.012 173.012 174.586 -1.574 18443 12032 1 18 . 1 1 64 64 THR CA C 64 58.176 58.176 59.728 -1.552 18443 12033 1 18 . 1 1 64 64 THR CB C 64 70.326 70.326 69.500 0.826 18443 12034 1 18 . 1 1 64 64 THR H H 64 7.315 7.315 7.621 -0.306 18443 12035 1 18 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.094 0.194 18443 12036 1 18 . 1 1 65 65 PRO C C 65 180.307 180.307 178.975 1.332 18443 12037 1 18 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.147 -0.306 18443 12038 1 18 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.525 0.436 18443 12039 1 18 . 1 1 66 66 GLU N N 66 118.398 118.398 117.620 0.778 18443 12040 1 18 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.013 0.148 18443 12041 1 18 . 1 1 66 66 GLU C C 66 179.940 179.940 178.927 1.013 18443 12042 1 18 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.285 0.653 18443 12043 1 18 . 1 1 66 66 GLU CB C 66 28.871 28.871 28.538 0.333 18443 12044 1 18 . 1 1 66 66 GLU H H 66 9.304 9.304 8.728 0.576 18443 12045 1 18 . 1 1 67 67 GLY N N 67 110.592 110.592 108.143 2.449 18443 12046 1 18 . 1 1 67 67 GLY C C 67 176.529 176.529 176.418 0.111 18443 12047 1 18 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.393 0.471 18443 12048 1 18 . 1 1 67 67 GLY H H 67 8.172 8.172 7.717 0.455 18443 12049 1 18 . 1 1 68 68 GLN N N 68 121.948 121.948 121.889 0.059 18443 12050 1 18 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.982 0.031 18443 12051 1 18 . 1 1 68 68 GLN C C 68 179.366 179.366 178.443 0.923 18443 12052 1 18 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.590 -0.399 18443 12053 1 18 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.904 -0.970 18443 12054 1 18 . 1 1 68 68 GLN H H 68 8.504 8.504 8.624 -0.120 18443 12055 1 18 . 1 1 69 69 GLU N N 69 120.280 120.280 119.723 0.557 18443 12056 1 18 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.058 0.112 18443 12057 1 18 . 1 1 69 69 GLU C C 69 179.360 179.360 179.120 0.240 18443 12058 1 18 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.018 0.472 18443 12059 1 18 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.278 -0.347 18443 12060 1 18 . 1 1 69 69 GLU H H 69 7.815 7.815 8.434 -0.619 18443 12061 1 18 . 1 1 70 70 LEU N N 70 121.041 121.041 121.471 -0.430 18443 12062 1 18 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.039 0.077 18443 12063 1 18 . 1 1 70 70 LEU C C 70 178.961 178.961 178.920 0.041 18443 12064 1 18 . 1 1 70 70 LEU CA C 70 58.193 58.193 58.010 0.183 18443 12065 1 18 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.521 1.206 18443 12066 1 18 . 1 1 70 70 LEU H H 70 7.758 7.758 7.932 -0.174 18443 12067 1 18 . 1 1 71 71 ALA N N 71 122.094 122.094 122.168 -0.074 18443 12068 1 18 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.999 -0.426 18443 12069 1 18 . 1 1 71 71 ALA C C 71 179.966 179.966 179.366 0.600 18443 12070 1 18 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.341 -0.303 18443 12071 1 18 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.525 -1.106 18443 12072 1 18 . 1 1 71 71 ALA H H 71 8.745 8.745 8.484 0.261 18443 12073 1 18 . 1 1 72 72 ARG N N 72 118.463 118.463 115.562 2.901 18443 12074 1 18 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.223 -0.102 18443 12075 1 18 . 1 1 72 72 ARG C C 72 180.905 180.905 177.568 3.337 18443 12076 1 18 . 1 1 72 72 ARG CA C 72 59.524 59.524 57.925 1.599 18443 12077 1 18 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.833 0.469 18443 12078 1 18 . 1 1 72 72 ARG H H 72 7.862 7.862 7.738 0.124 18443 12079 1 18 . 1 1 73 73 ARG N N 73 122.223 122.223 119.447 2.776 18443 12080 1 18 . 1 1 73 73 ARG HA H 73 3.958 3.958 3.995 -0.037 18443 12081 1 18 . 1 1 73 73 ARG C C 73 178.562 178.562 177.645 0.917 18443 12082 1 18 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.916 0.622 18443 12083 1 18 . 1 1 73 73 ARG CB C 73 30.191 30.191 31.110 -0.919 18443 12084 1 18 . 1 1 73 73 ARG H H 73 8.189 8.189 7.690 0.499 18443 12085 1 18 . 1 1 74 74 TYR N N 74 114.319 114.319 115.685 -1.366 18443 12086 1 18 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.788 -0.387 18443 12087 1 18 . 1 1 74 74 TYR C C 74 174.321 174.321 174.656 -0.335 18443 12088 1 18 . 1 1 74 74 TYR CA C 74 59.784 59.784 57.479 2.305 18443 12089 1 18 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.975 0.289 18443 12090 1 18 . 1 1 74 74 TYR H H 74 8.047 8.047 8.346 -0.299 18443 12091 1 18 . 1 1 75 75 ARG N N 75 119.572 119.572 118.005 1.567 18443 12092 1 18 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.056 -0.187 18443 12093 1 18 . 1 1 75 75 ARG C C 75 175.880 175.880 174.611 1.269 18443 12094 1 18 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.947 -0.107 18443 12095 1 18 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.066 -0.558 18443 12096 1 18 . 1 1 75 75 ARG H H 75 7.865 7.865 8.278 -0.413 18443 12097 1 18 . 1 1 76 76 VAL N N 76 119.885 119.885 120.808 -0.923 18443 12098 1 18 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.276 -0.485 18443 12099 1 18 . 1 1 76 76 VAL C C 76 176.374 176.374 173.648 2.726 18443 12100 1 18 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.257 1.499 18443 12101 1 18 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.288 -1.375 18443 12102 1 18 . 1 1 76 76 VAL H H 76 8.024 8.024 7.878 0.146 18443 12103 1 18 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.643 -0.246 18443 12104 1 18 . 1 1 77 77 PRO C C 77 175.829 175.829 176.407 -0.578 18443 12105 1 18 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.275 1.187 18443 12106 1 18 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.007 -0.250 18443 12107 1 18 . 1 1 78 78 GLY N N 78 105.453 105.453 111.998 -6.545 18443 12108 1 18 . 1 1 78 78 GLY C C 78 171.794 171.794 174.229 -2.435 18443 12109 1 18 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.768 -0.159 18443 12110 1 18 . 1 1 78 78 GLY H H 78 6.725 6.725 8.555 -1.830 18443 12111 1 18 . 1 1 79 79 THR N N 79 110.056 110.056 116.481 -6.425 18443 12112 1 18 . 1 1 79 79 THR HA H 79 4.886 4.886 4.183 0.703 18443 12113 1 18 . 1 1 79 79 THR CA C 79 57.957 57.957 60.319 -2.362 18443 12114 1 18 . 1 1 79 79 THR CB C 79 70.685 70.685 69.959 0.726 18443 12115 1 18 . 1 1 79 79 THR H H 79 8.771 8.771 7.977 0.794 18443 12116 1 18 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.543 0.536 18443 12117 1 18 . 1 1 80 80 PRO C C 80 176.536 176.536 175.760 0.776 18443 12118 1 18 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.478 0.081 18443 12119 1 18 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.773 2.897 18443 12120 1 18 . 1 1 81 81 THR N N 81 116.755 116.755 115.413 1.342 18443 12121 1 18 . 1 1 81 81 THR HA H 81 5.425 5.425 4.819 0.606 18443 12122 1 18 . 1 1 81 81 THR C C 81 171.960 171.960 172.646 -0.686 18443 12123 1 18 . 1 1 81 81 THR CA C 81 63.540 63.540 61.689 1.851 18443 12124 1 18 . 1 1 81 81 THR CB C 81 71.840 71.840 72.481 -0.641 18443 12125 1 18 . 1 1 81 81 THR H H 81 8.176 8.176 7.700 0.476 18443 12126 1 18 . 1 1 82 82 PHE N N 82 126.263 126.263 125.275 0.988 18443 12127 1 18 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.135 0.501 18443 12128 1 18 . 1 1 82 82 PHE C C 82 174.738 174.738 174.288 0.450 18443 12129 1 18 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.393 -0.623 18443 12130 1 18 . 1 1 82 82 PHE CB C 82 41.280 41.280 41.012 0.268 18443 12131 1 18 . 1 1 82 82 PHE H H 82 9.540 9.540 9.503 0.037 18443 12132 1 18 . 1 1 83 83 VAL N N 83 123.703 123.703 123.032 0.671 18443 12133 1 18 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.767 -0.226 18443 12134 1 18 . 1 1 83 83 VAL C C 83 174.159 174.159 174.709 -0.550 18443 12135 1 18 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.160 0.869 18443 12136 1 18 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.511 1.596 18443 12137 1 18 . 1 1 83 83 VAL H H 83 9.208 9.208 8.996 0.212 18443 12138 1 18 . 1 1 84 84 PHE N N 84 126.003 126.003 127.395 -1.392 18443 12139 1 18 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.322 0.488 18443 12140 1 18 . 1 1 84 84 PHE C C 84 175.481 175.481 175.045 0.436 18443 12141 1 18 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.972 0.281 18443 12142 1 18 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.316 1.496 18443 12143 1 18 . 1 1 84 84 PHE H H 84 8.878 8.878 9.466 -0.588 18443 12144 1 18 . 1 1 85 85 LEU N N 85 123.597 123.597 123.941 -0.344 18443 12145 1 18 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.654 0.240 18443 12146 1 18 . 1 1 85 85 LEU C C 85 176.528 176.528 176.258 0.270 18443 12147 1 18 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.648 -0.278 18443 12148 1 18 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.692 3.507 18443 12149 1 18 . 1 1 85 85 LEU H H 85 9.604 9.604 9.304 0.300 18443 12150 1 18 . 1 1 86 86 VAL N N 86 118.274 118.274 122.652 -4.378 18443 12151 1 18 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.663 0.555 18443 12152 1 18 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.214 -1.653 18443 12153 1 18 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.415 2.078 18443 12154 1 18 . 1 1 86 86 VAL H H 86 9.457 9.457 9.294 0.163 18443 12155 1 18 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.353 -0.405 18443 12156 1 18 . 1 1 87 87 PRO C C 87 177.132 177.132 175.812 1.320 18443 12157 1 18 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.859 0.504 18443 12158 1 18 . 1 1 87 87 PRO CB C 87 30.658 30.658 31.162 -0.504 18443 12159 1 18 . 1 1 88 88 LYS N N 88 124.554 124.554 125.695 -1.141 18443 12160 1 18 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.382 -0.103 18443 12161 1 18 . 1 1 88 88 LYS C C 88 175.739 175.739 176.060 -0.321 18443 12162 1 18 . 1 1 88 88 LYS CA C 88 55.650 55.650 56.065 -0.415 18443 12163 1 18 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.793 -0.095 18443 12164 1 18 . 1 1 88 88 LYS H H 88 8.119 8.119 8.464 -0.345 18443 12165 1 18 . 1 1 89 89 ALA N N 89 130.786 130.786 127.293 3.493 18443 12166 1 18 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.977 -0.007 18443 12167 1 18 . 1 1 89 89 ALA C C 89 176.947 176.947 177.647 -0.700 18443 12168 1 18 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.570 -0.380 18443 12169 1 18 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.973 -0.594 18443 12170 1 18 . 1 1 89 89 ALA H H 89 9.128 9.128 9.025 0.103 18443 12171 1 18 . 1 1 90 90 GLY N N 90 106.698 106.698 104.470 2.228 18443 12172 1 18 . 1 1 90 90 GLY C C 90 173.352 173.352 173.343 0.009 18443 12173 1 18 . 1 1 90 90 GLY CA C 90 45.586 45.586 44.838 0.748 18443 12174 1 18 . 1 1 90 90 GLY H H 90 8.393 8.393 8.227 0.166 18443 12175 1 18 . 1 1 91 91 ALA N N 91 125.038 125.038 122.448 2.590 18443 12176 1 18 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.767 -0.190 18443 12177 1 18 . 1 1 91 91 ALA C C 91 175.940 175.940 174.799 1.141 18443 12178 1 18 . 1 1 91 91 ALA CA C 91 50.462 50.462 50.246 0.216 18443 12179 1 18 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.906 -0.254 18443 12180 1 18 . 1 1 91 91 ALA H H 91 7.788 7.788 7.614 0.174 18443 12181 1 18 . 1 1 92 92 TRP N N 92 120.760 120.760 118.407 2.353 18443 12182 1 18 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.412 -0.272 18443 12183 1 18 . 1 1 92 92 TRP C C 92 175.960 175.960 176.316 -0.356 18443 12184 1 18 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.318 0.533 18443 12185 1 18 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.667 1.006 18443 12186 1 18 . 1 1 92 92 TRP H H 92 8.235 8.235 8.361 -0.126 18443 12187 1 18 . 1 1 93 93 GLU N N 93 124.341 124.341 122.984 1.357 18443 12188 1 18 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.848 0.013 18443 12189 1 18 . 1 1 93 93 GLU C C 93 175.515 175.515 175.246 0.269 18443 12190 1 18 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.764 0.015 18443 12191 1 18 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.484 -0.292 18443 12192 1 18 . 1 1 93 93 GLU H H 93 9.264 9.264 9.219 0.045 18443 12193 1 18 . 1 1 94 94 GLU N N 94 126.987 126.987 129.067 -2.080 18443 12194 1 18 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.607 0.590 18443 12195 1 18 . 1 1 94 94 GLU C C 94 177.604 177.604 175.643 1.961 18443 12196 1 18 . 1 1 94 94 GLU CA C 94 56.604 56.604 57.210 -0.606 18443 12197 1 18 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.624 0.454 18443 12198 1 18 . 1 1 94 94 GLU H H 94 9.123 9.123 9.156 -0.033 18443 12199 1 18 . 1 1 95 95 VAL N N 95 122.004 122.004 125.691 -3.687 18443 12200 1 18 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.340 0.352 18443 12201 1 18 . 1 1 95 95 VAL C C 95 175.719 175.719 175.175 0.544 18443 12202 1 18 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.938 -0.604 18443 12203 1 18 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.590 0.675 18443 12204 1 18 . 1 1 95 95 VAL H H 95 9.099 9.099 8.454 0.645 18443 12205 1 18 . 1 1 96 96 GLY N N 96 107.961 107.961 107.869 0.092 18443 12206 1 18 . 1 1 96 96 GLY C C 96 171.052 171.052 171.520 -0.468 18443 12207 1 18 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.564 0.548 18443 12208 1 18 . 1 1 96 96 GLY H H 96 7.754 7.754 7.522 0.232 18443 12209 1 18 . 1 1 97 97 ARG N N 97 117.467 117.467 126.926 -9.459 18443 12210 1 18 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.621 0.056 18443 12211 1 18 . 1 1 97 97 ARG C C 97 174.403 174.403 175.142 -0.739 18443 12212 1 18 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.955 0.671 18443 12213 1 18 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.171 1.142 18443 12214 1 18 . 1 1 97 97 ARG H H 97 8.489 8.489 8.546 -0.057 18443 12215 1 18 . 1 1 98 98 LEU N N 98 122.922 122.922 127.857 -4.935 18443 12216 1 18 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.939 -0.014 18443 12217 1 18 . 1 1 98 98 LEU C C 98 174.871 174.871 175.183 -0.312 18443 12218 1 18 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.039 -0.068 18443 12219 1 18 . 1 1 98 98 LEU CB C 98 46.542 46.542 45.553 0.989 18443 12220 1 18 . 1 1 98 98 LEU H H 98 9.504 9.504 9.438 0.066 18443 12221 1 18 . 1 1 99 99 PHE N N 99 124.212 124.212 123.219 0.993 18443 12222 1 18 . 1 1 99 99 PHE HA H 99 5.648 5.648 4.964 0.684 18443 12223 1 18 . 1 1 99 99 PHE CA C 99 55.751 55.751 57.222 -1.471 18443 12224 1 18 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.662 -1.430 18443 12225 1 18 . 1 1 99 99 PHE H H 99 9.146 9.146 8.697 0.449 18443 12226 1 18 . 1 1 100 100 GLY N N 100 116.438 116.438 115.113 1.325 18443 12227 1 18 . 1 1 100 100 GLY C C 100 173.343 173.343 173.420 -0.077 18443 12228 1 18 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.404 -0.968 18443 12229 1 18 . 1 1 100 100 GLY H H 100 8.464 8.464 7.402 1.062 18443 12230 1 18 . 1 1 101 101 SER N N 101 112.597 112.597 116.802 -4.205 18443 12231 1 18 . 1 1 101 101 SER HA H 101 4.616 4.616 4.535 0.081 18443 12232 1 18 . 1 1 101 101 SER C C 101 175.075 175.075 174.584 0.491 18443 12233 1 18 . 1 1 101 101 SER CA C 101 58.288 58.288 59.039 -0.751 18443 12234 1 18 . 1 1 101 101 SER CB C 101 64.305 64.305 63.456 0.849 18443 12235 1 18 . 1 1 101 101 SER H H 101 8.366 8.366 8.246 0.120 18443 12236 1 18 . 1 1 102 102 ARG N N 102 119.662 119.662 126.748 -7.086 18443 12237 1 18 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.886 0.045 18443 12238 1 18 . 1 1 102 102 ARG CA C 102 52.820 52.820 52.046 0.774 18443 12239 1 18 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.052 1.390 18443 12240 1 18 . 1 1 102 102 ARG H H 102 7.767 7.767 8.587 -0.820 18443 12241 1 18 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.457 0.094 18443 12242 1 18 . 1 1 103 103 PRO C C 103 177.345 177.345 177.640 -0.295 18443 12243 1 18 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.459 -0.383 18443 12244 1 18 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.787 0.081 18443 12245 1 18 . 1 1 104 104 ARG N N 104 121.205 121.205 122.611 -1.406 18443 12246 1 18 . 1 1 104 104 ARG HA H 104 3.932 3.932 4.019 -0.087 18443 12247 1 18 . 1 1 104 104 ARG C C 104 177.368 177.368 178.259 -0.891 18443 12248 1 18 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.435 1.476 18443 12249 1 18 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.717 0.447 18443 12250 1 18 . 1 1 104 104 ARG H H 104 8.986 8.986 8.895 0.091 18443 12251 1 18 . 1 1 105 105 ALA N N 105 119.508 119.508 119.169 0.339 18443 12252 1 18 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.291 -0.182 18443 12253 1 18 . 1 1 105 105 ALA C C 105 181.065 181.065 179.600 1.465 18443 12254 1 18 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.780 0.965 18443 12255 1 18 . 1 1 105 105 ALA CB C 105 18.296 18.296 18.079 0.217 18443 12256 1 18 . 1 1 105 105 ALA H H 105 9.033 9.033 8.409 0.624 18443 12257 1 18 . 1 1 106 106 GLU N N 106 117.537 117.537 120.780 -3.243 18443 12258 1 18 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.104 0.025 18443 12259 1 18 . 1 1 106 106 GLU C C 106 178.041 178.041 178.254 -0.213 18443 12260 1 18 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.764 0.029 18443 12261 1 18 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.366 0.867 18443 12262 1 18 . 1 1 106 106 GLU H H 106 7.201 7.201 7.911 -0.710 18443 12263 1 18 . 1 1 107 107 PHE N N 107 120.721 120.721 120.391 0.330 18443 12264 1 18 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.159 0.025 18443 12265 1 18 . 1 1 107 107 PHE C C 107 177.235 177.235 177.470 -0.235 18443 12266 1 18 . 1 1 107 107 PHE CA C 107 61.743 61.743 62.041 -0.298 18443 12267 1 18 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.324 0.759 18443 12268 1 18 . 1 1 107 107 PHE H H 107 8.555 8.555 8.113 0.442 18443 12269 1 18 . 1 1 108 108 LEU N N 108 117.219 117.219 119.256 -2.037 18443 12270 1 18 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.762 0.069 18443 12271 1 18 . 1 1 108 108 LEU C C 108 178.406 178.406 178.649 -0.243 18443 12272 1 18 . 1 1 108 108 LEU CA C 108 58.484 58.484 58.163 0.321 18443 12273 1 18 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.346 0.806 18443 12274 1 18 . 1 1 108 108 LEU H H 108 8.364 8.364 8.120 0.244 18443 12275 1 18 . 1 1 109 109 LYS N N 109 118.680 118.680 119.721 -1.041 18443 12276 1 18 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.812 0.089 18443 12277 1 18 . 1 1 109 109 LYS C C 109 179.696 179.696 178.905 0.791 18443 12278 1 18 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.832 0.350 18443 12279 1 18 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.209 0.057 18443 12280 1 18 . 1 1 109 109 LYS H H 109 7.330 7.330 7.712 -0.382 18443 12281 1 18 . 1 1 110 110 GLU N N 110 119.802 119.802 118.990 0.812 18443 12282 1 18 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.091 -0.130 18443 12283 1 18 . 1 1 110 110 GLU C C 110 179.903 179.903 178.636 1.267 18443 12284 1 18 . 1 1 110 110 GLU CA C 110 59.124 59.124 57.933 1.191 18443 12285 1 18 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.330 -0.558 18443 12286 1 18 . 1 1 110 110 GLU H H 110 8.077 8.077 7.645 0.432 18443 12287 1 18 . 1 1 111 111 LEU N N 111 120.129 120.129 121.627 -1.498 18443 12288 1 18 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.435 0.097 18443 12289 1 18 . 1 1 111 111 LEU C C 111 179.792 179.792 178.304 1.488 18443 12290 1 18 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.767 -0.333 18443 12291 1 18 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.641 1.087 18443 12292 1 18 . 1 1 111 111 LEU H H 111 8.341 8.341 8.329 0.012 18443 12293 1 18 . 1 1 112 112 ARG N N 112 118.350 118.350 119.043 -0.693 18443 12294 1 18 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.936 -0.040 18443 12295 1 18 . 1 1 112 112 ARG C C 112 179.446 179.446 178.578 0.868 18443 12296 1 18 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.645 1.678 18443 12297 1 18 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.412 0.466 18443 12298 1 18 . 1 1 112 112 ARG H H 112 8.166 8.166 8.006 0.160 18443 12299 1 18 . 1 1 113 113 GLN N N 113 118.358 118.358 118.650 -0.292 18443 12300 1 18 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.011 0.082 18443 12301 1 18 . 1 1 113 113 GLN C C 113 179.137 179.137 178.652 0.485 18443 12302 1 18 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.920 -0.089 18443 12303 1 18 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.788 -0.318 18443 12304 1 18 . 1 1 113 113 GLN H H 113 7.842 7.842 7.541 0.301 18443 12305 1 18 . 1 1 114 114 VAL N N 114 120.174 120.174 120.499 -0.325 18443 12306 1 18 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.580 0.071 18443 12307 1 18 . 1 1 114 114 VAL C C 114 177.853 177.853 177.817 0.036 18443 12308 1 18 . 1 1 114 114 VAL CA C 114 66.063 66.063 67.037 -0.974 18443 12309 1 18 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.097 0.142 18443 12310 1 18 . 1 1 114 114 VAL H H 114 7.947 7.947 8.545 -0.598 18443 12311 1 18 . 1 1 115 115 CYS N N 115 117.549 117.549 117.175 0.374 18443 12312 1 18 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.361 -0.281 18443 12313 1 18 . 1 1 115 115 CYS C C 115 177.204 177.204 176.332 0.872 18443 12314 1 18 . 1 1 115 115 CYS CA C 115 63.574 63.574 62.232 1.342 18443 12315 1 18 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.351 0.406 18443 12316 1 18 . 1 1 115 115 CYS H H 115 7.801 7.801 8.228 -0.427 18443 12317 1 18 . 1 1 116 116 VAL N N 116 119.053 119.053 118.608 0.445 18443 12318 1 18 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.890 -0.037 18443 12319 1 18 . 1 1 116 116 VAL C C 116 178.840 178.840 178.243 0.597 18443 12320 1 18 . 1 1 116 116 VAL CA C 116 65.442 65.442 65.344 0.098 18443 12321 1 18 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.719 0.189 18443 12322 1 18 . 1 1 116 116 VAL H H 116 7.465 7.465 7.526 -0.061 18443 12323 1 18 . 1 1 117 117 LYS N N 117 121.003 121.003 121.189 -0.186 18443 12324 1 18 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.086 0.090 18443 12325 1 18 . 1 1 117 117 LYS C C 117 178.689 178.689 179.437 -0.748 18443 12326 1 18 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.068 -0.513 18443 12327 1 18 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.604 1.115 18443 12328 1 18 . 1 1 117 117 LYS H H 117 7.915 7.915 8.213 -0.298 18443 12329 1 18 . 1 1 118 118 GLY N N 118 106.132 106.132 106.012 0.120 18443 12330 1 18 . 1 1 118 118 GLY C C 118 174.909 174.909 175.584 -0.675 18443 12331 1 18 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.374 -0.410 18443 12332 1 18 . 1 1 118 118 GLY H H 118 8.472 8.472 7.885 0.587 18443 12333 1 18 . 1 1 119 119 GLY N N 119 107.977 107.977 109.450 -1.473 18443 12334 1 18 . 1 1 119 119 GLY C C 119 174.631 174.631 173.411 1.220 18443 12335 1 18 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.055 1.911 18443 12336 1 18 . 1 1 119 119 GLY H H 119 7.791 7.791 7.573 0.218 18443 12337 1 18 . 1 1 120 120 ALA N N 120 123.981 123.981 123.624 0.357 18443 12338 1 18 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.044 0.369 18443 12339 1 18 . 1 1 120 120 ALA C C 120 178.143 178.143 176.037 2.106 18443 12340 1 18 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.502 0.314 18443 12341 1 18 . 1 1 120 120 ALA CB C 120 19.102 19.102 18.469 0.633 18443 12342 1 18 . 1 1 120 120 ALA H H 120 8.171 8.171 7.582 0.589 18443 12343 1 18 . 1 1 121 121 CYS N N 121 117.342 117.342 118.058 -0.716 18443 12344 1 18 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.599 -0.089 18443 12345 1 18 . 1 1 121 121 CYS C C 121 175.318 175.318 174.138 1.180 18443 12346 1 18 . 1 1 121 121 CYS CA C 121 58.974 58.974 59.301 -0.327 18443 12347 1 18 . 1 1 121 121 CYS CB C 121 28.109 28.109 28.549 -0.440 18443 12348 1 18 . 1 1 121 121 CYS H H 121 8.200 8.200 8.616 -0.416 18443 12349 1 18 . 1 1 122 122 GLY N N 122 110.351 110.351 109.206 1.145 18443 12350 1 18 . 1 1 122 122 GLY C C 122 174.299 174.299 171.675 2.624 18443 12351 1 18 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.479 0.046 18443 12352 1 18 . 1 1 122 122 GLY H H 122 8.367 8.367 7.897 0.470 18443 12353 1 18 . 1 1 123 123 GLU N N 123 120.589 120.589 120.348 0.241 18443 12354 1 18 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.714 -0.407 18443 12355 1 18 . 1 1 123 123 GLU C C 123 177.296 177.296 175.838 1.458 18443 12356 1 18 . 1 1 123 123 GLU CA C 123 56.830 56.830 55.420 1.410 18443 12357 1 18 . 1 1 123 123 GLU CB C 123 30.461 30.461 30.403 0.058 18443 12358 1 18 . 1 1 123 123 GLU H H 123 8.280 8.280 8.353 -0.073 18443 12359 1 18 . 1 1 124 124 GLY N N 124 109.521 109.521 109.365 0.156 18443 12360 1 18 . 1 1 124 124 GLY C C 124 174.189 174.189 173.909 0.280 18443 12361 1 18 . 1 1 124 124 GLY CA C 124 45.540 45.540 44.647 0.893 18443 12362 1 18 . 1 1 124 124 GLY H H 124 8.465 8.465 9.232 -0.767 18443 12363 1 18 . 1 1 125 125 HIS N N 125 118.418 118.418 119.161 -0.743 18443 12364 1 18 . 1 1 125 125 HIS CA C 125 55.971 55.971 53.450 2.521 18443 12365 1 18 . 1 1 125 125 HIS CB C 125 30.073 30.073 27.076 2.997 18443 12366 1 18 . 1 1 125 125 HIS H H 125 8.244 8.244 7.695 0.549 18443 12367 1 19 . 1 1 2 2 SER HA H 2 4.050 4.050 4.575 -0.525 18443 12368 1 19 . 1 1 2 2 SER CA C 2 57.351 57.351 58.569 -1.218 18443 12369 1 19 . 1 1 2 2 SER CB C 2 63.259 63.259 63.556 -0.298 18443 12370 1 19 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.244 0.058 18443 12371 1 19 . 1 1 3 3 LEU C C 3 175.706 175.706 175.872 -0.166 18443 12372 1 19 . 1 1 3 3 LEU CA C 3 55.286 55.286 55.398 -0.112 18443 12373 1 19 . 1 1 3 3 LEU CB C 3 42.920 42.920 42.705 0.215 18443 12374 1 19 . 1 1 4 4 ARG N N 4 127.222 127.222 127.870 -0.648 18443 12375 1 19 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.536 -0.218 18443 12376 1 19 . 1 1 4 4 ARG C C 4 173.862 173.862 174.688 -0.826 18443 12377 1 19 . 1 1 4 4 ARG CA C 4 54.980 54.980 55.257 -0.277 18443 12378 1 19 . 1 1 4 4 ARG CB C 4 31.326 31.326 31.194 0.132 18443 12379 1 19 . 1 1 4 4 ARG H H 4 8.502 8.502 8.614 -0.112 18443 12380 1 19 . 1 1 5 5 TRP N N 5 123.052 123.052 126.379 -3.327 18443 12381 1 19 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.426 -0.426 18443 12382 1 19 . 1 1 5 5 TRP C C 5 176.309 176.309 175.984 0.325 18443 12383 1 19 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.747 -1.066 18443 12384 1 19 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.330 0.560 18443 12385 1 19 . 1 1 5 5 TRP H H 5 8.184 8.184 8.653 -0.469 18443 12386 1 19 . 1 1 6 6 TYR N N 6 120.957 120.957 122.861 -1.904 18443 12387 1 19 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.002 -0.023 18443 12388 1 19 . 1 1 6 6 TYR CA C 6 57.184 57.184 56.080 1.104 18443 12389 1 19 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.809 -0.471 18443 12390 1 19 . 1 1 6 6 TYR H H 6 8.818 8.818 9.412 -0.594 18443 12391 1 19 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.626 0.284 18443 12392 1 19 . 1 1 7 7 PRO C C 7 177.869 177.869 177.437 0.432 18443 12393 1 19 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.734 -0.156 18443 12394 1 19 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.732 0.213 18443 12395 1 19 . 1 1 8 8 TYR N N 8 122.256 122.256 123.454 -1.198 18443 12396 1 19 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.072 -0.029 18443 12397 1 19 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.359 -0.284 18443 12398 1 19 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.118 0.736 18443 12399 1 19 . 1 1 8 8 TYR H H 8 9.408 9.408 9.216 0.192 18443 12400 1 19 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.161 -0.119 18443 12401 1 19 . 1 1 9 9 PRO C C 9 180.472 180.472 178.896 1.576 18443 12402 1 19 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.949 0.437 18443 12403 1 19 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.148 -0.622 18443 12404 1 19 . 1 1 10 10 GLU N N 10 118.047 118.047 117.959 0.088 18443 12405 1 19 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.079 -0.025 18443 12406 1 19 . 1 1 10 10 GLU C C 10 178.293 178.293 178.526 -0.233 18443 12407 1 19 . 1 1 10 10 GLU CA C 10 59.030 59.030 58.910 0.119 18443 12408 1 19 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.097 1.212 18443 12409 1 19 . 1 1 10 10 GLU H H 10 7.093 7.093 8.469 -1.376 18443 12410 1 19 . 1 1 11 11 ALA N N 11 121.740 121.740 122.906 -1.166 18443 12411 1 19 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.996 -0.375 18443 12412 1 19 . 1 1 11 11 ALA C C 11 178.890 178.890 179.644 -0.754 18443 12413 1 19 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.409 -0.890 18443 12414 1 19 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.403 0.642 18443 12415 1 19 . 1 1 11 11 ALA H H 11 8.447 8.447 8.744 -0.297 18443 12416 1 19 . 1 1 12 12 LEU N N 12 115.622 115.622 118.845 -3.223 18443 12417 1 19 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.881 -0.430 18443 12418 1 19 . 1 1 12 12 LEU C C 12 179.331 179.331 179.086 0.245 18443 12419 1 19 . 1 1 12 12 LEU CA C 12 58.523 58.523 58.154 0.369 18443 12420 1 19 . 1 1 12 12 LEU CB C 12 40.445 40.445 41.110 -0.665 18443 12421 1 19 . 1 1 12 12 LEU H H 12 7.354 7.354 7.659 -0.305 18443 12422 1 19 . 1 1 13 13 ALA N N 13 120.240 120.240 122.761 -2.521 18443 12423 1 19 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.174 0.001 18443 12424 1 19 . 1 1 13 13 ALA C C 13 181.630 181.630 179.741 1.889 18443 12425 1 19 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.153 0.172 18443 12426 1 19 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.250 -0.095 18443 12427 1 19 . 1 1 13 13 ALA H H 13 7.201 7.201 7.640 -0.439 18443 12428 1 19 . 1 1 14 14 LEU N N 14 120.757 120.757 120.599 0.158 18443 12429 1 19 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.820 0.267 18443 12430 1 19 . 1 1 14 14 LEU C C 14 179.635 179.635 179.118 0.517 18443 12431 1 19 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.538 0.150 18443 12432 1 19 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.708 2.084 18443 12433 1 19 . 1 1 14 14 LEU H H 14 8.202 8.202 8.549 -0.347 18443 12434 1 19 . 1 1 15 15 ALA N N 15 121.483 121.483 119.467 2.016 18443 12435 1 19 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.996 -0.122 18443 12436 1 19 . 1 1 15 15 ALA C C 15 180.839 180.839 179.893 0.946 18443 12437 1 19 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.014 1.234 18443 12438 1 19 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.500 1.136 18443 12439 1 19 . 1 1 15 15 ALA H H 15 8.594 8.594 8.132 0.462 18443 12440 1 19 . 1 1 16 16 GLN N N 16 117.131 117.131 121.033 -3.902 18443 12441 1 19 . 1 1 16 16 GLN HA H 16 3.969 3.969 3.978 -0.009 18443 12442 1 19 . 1 1 16 16 GLN C C 16 178.701 178.701 178.451 0.250 18443 12443 1 19 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.432 0.721 18443 12444 1 19 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.490 0.389 18443 12445 1 19 . 1 1 16 16 GLN H H 16 8.609 8.609 8.350 0.259 18443 12446 1 19 . 1 1 17 17 ALA N N 17 120.088 120.088 120.747 -0.659 18443 12447 1 19 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.305 -0.186 18443 12448 1 19 . 1 1 17 17 ALA C C 17 179.305 179.305 178.194 1.111 18443 12449 1 19 . 1 1 17 17 ALA CA C 17 54.619 54.619 54.038 0.581 18443 12450 1 19 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.833 -0.570 18443 12451 1 19 . 1 1 17 17 ALA H H 17 7.635 7.635 8.089 -0.454 18443 12452 1 19 . 1 1 18 18 HIS N N 18 111.636 111.636 114.037 -2.401 18443 12453 1 19 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.632 0.180 18443 12454 1 19 . 1 1 18 18 HIS C C 18 175.021 175.021 175.557 -0.536 18443 12455 1 19 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.365 0.172 18443 12456 1 19 . 1 1 18 18 HIS CB C 18 31.211 31.211 30.971 0.240 18443 12457 1 19 . 1 1 18 18 HIS H H 18 7.728 7.728 7.479 0.249 18443 12458 1 19 . 1 1 19 19 GLY N N 19 111.899 111.899 108.932 2.967 18443 12459 1 19 . 1 1 19 19 GLY C C 19 175.071 175.071 174.143 0.928 18443 12460 1 19 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.681 1.974 18443 12461 1 19 . 1 1 19 19 GLY H H 19 7.886 7.886 8.153 -0.267 18443 12462 1 19 . 1 1 20 20 ARG N N 20 118.442 118.442 119.007 -0.565 18443 12463 1 19 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.552 0.059 18443 12464 1 19 . 1 1 20 20 ARG C C 20 174.586 174.586 175.186 -0.600 18443 12465 1 19 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.719 0.793 18443 12466 1 19 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.633 1.642 18443 12467 1 19 . 1 1 20 20 ARG H H 20 8.239 8.239 8.185 0.054 18443 12468 1 19 . 1 1 21 21 MET N N 21 115.457 115.457 118.074 -2.617 18443 12469 1 19 . 1 1 21 21 MET HA H 21 4.870 4.870 4.640 0.230 18443 12470 1 19 . 1 1 21 21 MET C C 21 175.707 175.707 174.909 0.798 18443 12471 1 19 . 1 1 21 21 MET CA C 21 56.111 56.111 55.073 1.038 18443 12472 1 19 . 1 1 21 21 MET CB C 21 35.717 35.717 35.422 0.295 18443 12473 1 19 . 1 1 21 21 MET H H 21 7.193 7.193 8.701 -1.508 18443 12474 1 19 . 1 1 22 22 VAL N N 22 119.607 119.607 121.139 -1.532 18443 12475 1 19 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.872 0.438 18443 12476 1 19 . 1 1 22 22 VAL C C 22 176.506 176.506 174.793 1.713 18443 12477 1 19 . 1 1 22 22 VAL CA C 22 60.429 60.429 60.991 -0.562 18443 12478 1 19 . 1 1 22 22 VAL CB C 22 35.658 35.658 32.900 2.759 18443 12479 1 19 . 1 1 22 22 VAL H H 22 9.034 9.034 9.154 -0.120 18443 12480 1 19 . 1 1 23 23 MET N N 23 126.309 126.309 129.140 -2.831 18443 12481 1 19 . 1 1 23 23 MET HA H 23 4.878 4.878 4.784 0.094 18443 12482 1 19 . 1 1 23 23 MET C C 23 173.960 173.960 174.464 -0.504 18443 12483 1 19 . 1 1 23 23 MET CA C 23 54.184 54.184 54.353 -0.169 18443 12484 1 19 . 1 1 23 23 MET CB C 23 36.920 36.920 33.768 3.152 18443 12485 1 19 . 1 1 23 23 MET H H 23 8.704 8.704 9.016 -0.312 18443 12486 1 19 . 1 1 24 24 VAL N N 24 128.959 128.959 129.397 -0.438 18443 12487 1 19 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.965 0.373 18443 12488 1 19 . 1 1 24 24 VAL C C 24 174.245 174.245 174.153 0.092 18443 12489 1 19 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.138 -0.385 18443 12490 1 19 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.154 0.667 18443 12491 1 19 . 1 1 24 24 VAL H H 24 9.908 9.908 9.061 0.847 18443 12492 1 19 . 1 1 25 25 TYR N N 25 129.726 129.726 130.775 -1.049 18443 12493 1 19 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.989 0.238 18443 12494 1 19 . 1 1 25 25 TYR C C 25 173.393 173.393 173.478 -0.085 18443 12495 1 19 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.759 -2.676 18443 12496 1 19 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.599 -0.081 18443 12497 1 19 . 1 1 25 25 TYR H H 25 9.031 9.031 8.689 0.342 18443 12498 1 19 . 1 1 26 26 PHE N N 26 126.719 126.719 127.632 -0.913 18443 12499 1 19 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.876 0.219 18443 12500 1 19 . 1 1 26 26 PHE C C 26 174.151 174.151 174.850 -0.699 18443 12501 1 19 . 1 1 26 26 PHE CA C 26 57.438 57.438 56.736 0.702 18443 12502 1 19 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.768 -0.144 18443 12503 1 19 . 1 1 26 26 PHE H H 26 9.162 9.162 8.945 0.217 18443 12504 1 19 . 1 1 27 27 HIS N N 27 118.311 118.311 120.073 -1.762 18443 12505 1 19 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.830 0.332 18443 12506 1 19 . 1 1 27 27 HIS C C 27 173.044 173.044 173.534 -0.490 18443 12507 1 19 . 1 1 27 27 HIS CA C 27 53.460 53.460 54.025 -0.565 18443 12508 1 19 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.619 2.469 18443 12509 1 19 . 1 1 27 27 HIS H H 27 8.168 8.168 8.602 -0.434 18443 12510 1 19 . 1 1 28 28 SER N N 28 112.150 112.150 116.106 -3.956 18443 12511 1 19 . 1 1 28 28 SER HA H 28 4.790 4.790 5.395 -0.605 18443 12512 1 19 . 1 1 28 28 SER C C 28 176.815 176.815 174.503 2.312 18443 12513 1 19 . 1 1 28 28 SER CA C 28 56.260 56.260 56.722 -0.462 18443 12514 1 19 . 1 1 28 28 SER CB C 28 65.470 65.470 66.877 -1.407 18443 12515 1 19 . 1 1 28 28 SER H H 28 7.545 7.545 8.163 -0.618 18443 12516 1 19 . 1 1 29 29 GLU N N 29 130.603 130.603 123.622 6.981 18443 12517 1 19 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.151 -0.051 18443 12518 1 19 . 1 1 29 29 GLU C C 29 176.980 176.980 177.680 -0.700 18443 12519 1 19 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.235 0.435 18443 12520 1 19 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.444 0.195 18443 12521 1 19 . 1 1 29 29 GLU H H 29 9.681 9.681 9.467 0.214 18443 12522 1 19 . 1 1 30 30 HIS N N 30 114.752 114.752 117.580 -2.828 18443 12523 1 19 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.405 0.289 18443 12524 1 19 . 1 1 30 30 HIS C C 30 173.679 173.679 175.622 -1.943 18443 12525 1 19 . 1 1 30 30 HIS CA C 30 54.393 54.393 58.091 -3.698 18443 12526 1 19 . 1 1 30 30 HIS CB C 30 29.372 29.372 30.124 -0.752 18443 12527 1 19 . 1 1 30 30 HIS H H 30 8.226 8.226 7.757 0.469 18443 12528 1 19 . 1 1 31 31 CYS N N 31 124.685 124.685 118.668 6.017 18443 12529 1 19 . 1 1 31 31 CYS HA H 31 4.946 4.946 5.009 -0.063 18443 12530 1 19 . 1 1 31 31 CYS C C 31 175.771 175.771 173.079 2.692 18443 12531 1 19 . 1 1 31 31 CYS CA C 31 56.116 56.116 55.527 0.589 18443 12532 1 19 . 1 1 31 31 CYS CB C 31 31.415 31.415 28.984 2.431 18443 12533 1 19 . 1 1 31 31 CYS H H 31 7.091 7.091 7.661 -0.570 18443 12534 1 19 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.487 -0.153 18443 12535 1 19 . 1 1 32 32 PRO C C 32 179.352 179.352 176.308 3.044 18443 12536 1 19 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.661 0.532 18443 12537 1 19 . 1 1 32 32 PRO CB C 32 32.072 32.072 31.640 0.431 18443 12538 1 19 . 1 1 33 33 TYR N N 33 125.092 125.092 118.018 7.074 18443 12539 1 19 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.427 0.068 18443 12540 1 19 . 1 1 33 33 TYR C C 33 179.457 179.457 177.474 1.983 18443 12541 1 19 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.581 0.299 18443 12542 1 19 . 1 1 33 33 TYR CB C 33 38.345 38.345 37.809 0.536 18443 12543 1 19 . 1 1 33 33 TYR H H 33 8.621 8.621 8.295 0.326 18443 12544 1 19 . 1 1 34 34 CYS N N 34 127.272 127.272 118.530 8.742 18443 12545 1 19 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.314 0.021 18443 12546 1 19 . 1 1 34 34 CYS C C 34 176.672 176.672 176.022 0.650 18443 12547 1 19 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.733 3.426 18443 12548 1 19 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.175 1.702 18443 12549 1 19 . 1 1 34 34 CYS H H 34 9.440 9.440 7.628 1.812 18443 12550 1 19 . 1 1 35 35 GLN N N 35 118.373 118.373 119.793 -1.420 18443 12551 1 19 . 1 1 35 35 GLN HA H 35 4.059 4.059 4.187 -0.128 18443 12552 1 19 . 1 1 35 35 GLN CA C 35 59.374 59.374 59.212 0.162 18443 12553 1 19 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.410 0.166 18443 12554 1 19 . 1 1 35 35 GLN H H 35 7.866 7.866 8.489 -0.623 18443 12555 1 19 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.195 0.051 18443 12556 1 19 . 1 1 36 36 GLN C C 36 178.881 178.881 178.347 0.534 18443 12557 1 19 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.672 0.954 18443 12558 1 19 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.553 0.052 18443 12559 1 19 . 1 1 37 37 MET N N 37 117.759 117.759 120.406 -2.647 18443 12560 1 19 . 1 1 37 37 MET HA H 37 4.488 4.488 4.262 0.226 18443 12561 1 19 . 1 1 37 37 MET C C 37 179.838 179.838 177.490 2.348 18443 12562 1 19 . 1 1 37 37 MET CA C 37 57.229 57.229 59.444 -2.215 18443 12563 1 19 . 1 1 37 37 MET CB C 37 29.983 29.983 32.966 -2.983 18443 12564 1 19 . 1 1 37 37 MET H H 37 8.125 8.125 8.190 -0.065 18443 12565 1 19 . 1 1 38 38 ASN N N 38 122.249 122.249 116.826 5.423 18443 12566 1 19 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.483 -0.121 18443 12567 1 19 . 1 1 38 38 ASN C C 38 177.355 177.355 176.958 0.397 18443 12568 1 19 . 1 1 38 38 ASN CA C 38 56.435 56.435 55.960 0.475 18443 12569 1 19 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.140 -0.628 18443 12570 1 19 . 1 1 38 38 ASN H H 38 9.245 9.245 8.524 0.721 18443 12571 1 19 . 1 1 39 39 THR N N 39 113.554 113.554 115.696 -2.142 18443 12572 1 19 . 1 1 39 39 THR HA H 39 3.853 3.853 4.038 -0.185 18443 12573 1 19 . 1 1 39 39 THR C C 39 176.277 176.277 175.758 0.519 18443 12574 1 19 . 1 1 39 39 THR CA C 39 65.843 65.843 66.024 -0.181 18443 12575 1 19 . 1 1 39 39 THR CB C 39 69.595 69.595 69.119 0.476 18443 12576 1 19 . 1 1 39 39 THR H H 39 8.034 8.034 7.379 0.655 18443 12577 1 19 . 1 1 40 40 PHE N N 40 116.394 116.394 119.836 -3.442 18443 12578 1 19 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.466 0.354 18443 12579 1 19 . 1 1 40 40 PHE C C 40 176.255 176.255 177.445 -1.190 18443 12580 1 19 . 1 1 40 40 PHE CA C 40 59.715 59.715 61.630 -1.915 18443 12581 1 19 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.844 2.041 18443 12582 1 19 . 1 1 40 40 PHE H H 40 8.309 8.309 7.598 0.711 18443 12583 1 19 . 1 1 41 41 VAL N N 41 117.246 117.246 118.696 -1.450 18443 12584 1 19 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.709 0.597 18443 12585 1 19 . 1 1 41 41 VAL C C 41 176.704 176.704 178.127 -1.423 18443 12586 1 19 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.602 -0.763 18443 12587 1 19 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.616 2.023 18443 12588 1 19 . 1 1 41 41 VAL H H 41 7.678 7.678 7.757 -0.079 18443 12589 1 19 . 1 1 42 42 LEU N N 42 117.179 117.179 117.323 -0.144 18443 12590 1 19 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.054 -0.106 18443 12591 1 19 . 1 1 42 42 LEU C C 42 175.837 175.837 177.033 -1.196 18443 12592 1 19 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.946 1.350 18443 12593 1 19 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.150 -1.035 18443 12594 1 19 . 1 1 42 42 LEU H H 42 8.882 8.882 8.455 0.427 18443 12595 1 19 . 1 1 43 43 SER N N 43 105.494 105.494 112.528 -7.034 18443 12596 1 19 . 1 1 43 43 SER HA H 43 4.408 4.408 4.350 0.058 18443 12597 1 19 . 1 1 43 43 SER C C 43 175.397 175.397 174.254 1.143 18443 12598 1 19 . 1 1 43 43 SER CA C 43 57.144 57.144 59.413 -2.269 18443 12599 1 19 . 1 1 43 43 SER CB C 43 64.117 64.117 63.479 0.638 18443 12600 1 19 . 1 1 43 43 SER H H 43 6.785 6.785 7.373 -0.588 18443 12601 1 19 . 1 1 44 44 ASP N N 44 126.617 126.617 123.829 2.788 18443 12602 1 19 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.568 0.243 18443 12603 1 19 . 1 1 44 44 ASP C C 44 175.644 175.644 176.074 -0.430 18443 12604 1 19 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.399 -0.726 18443 12605 1 19 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.381 1.292 18443 12606 1 19 . 1 1 44 44 ASP H H 44 7.443 7.443 7.302 0.141 18443 12607 1 19 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.247 0.105 18443 12608 1 19 . 1 1 45 45 PRO C C 45 178.792 178.792 178.366 0.426 18443 12609 1 19 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.016 0.743 18443 12610 1 19 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.067 0.272 18443 12611 1 19 . 1 1 46 46 GLY N N 46 107.270 107.270 107.069 0.201 18443 12612 1 19 . 1 1 46 46 GLY C C 46 176.799 176.799 176.406 0.393 18443 12613 1 19 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.752 0.276 18443 12614 1 19 . 1 1 46 46 GLY H H 46 8.161 8.161 8.118 0.043 18443 12615 1 19 . 1 1 47 47 VAL N N 47 124.473 124.473 122.236 2.237 18443 12616 1 19 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.684 -0.089 18443 12617 1 19 . 1 1 47 47 VAL C C 47 177.886 177.886 177.989 -0.103 18443 12618 1 19 . 1 1 47 47 VAL CA C 47 66.500 66.500 65.971 0.529 18443 12619 1 19 . 1 1 47 47 VAL CB C 47 32.425 32.425 30.948 1.477 18443 12620 1 19 . 1 1 47 47 VAL H H 47 8.344 8.344 8.742 -0.398 18443 12621 1 19 . 1 1 48 48 SER N N 48 113.807 113.807 115.399 -1.592 18443 12622 1 19 . 1 1 48 48 SER HA H 48 4.053 4.053 4.092 -0.039 18443 12623 1 19 . 1 1 48 48 SER C C 48 176.889 176.889 176.480 0.409 18443 12624 1 19 . 1 1 48 48 SER CA C 48 62.777 62.777 61.688 1.089 18443 12625 1 19 . 1 1 48 48 SER CB C 48 62.884 62.884 62.992 -0.108 18443 12626 1 19 . 1 1 48 48 SER H H 48 9.023 9.023 8.676 0.347 18443 12627 1 19 . 1 1 49 49 ARG N N 49 119.875 119.875 121.388 -1.513 18443 12628 1 19 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.389 -0.225 18443 12629 1 19 . 1 1 49 49 ARG C C 49 179.398 179.398 178.707 0.691 18443 12630 1 19 . 1 1 49 49 ARG CA C 49 59.558 59.558 58.970 0.588 18443 12631 1 19 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.760 0.487 18443 12632 1 19 . 1 1 49 49 ARG H H 49 8.081 8.081 7.713 0.368 18443 12633 1 19 . 1 1 50 50 LEU N N 50 121.717 121.717 118.937 2.780 18443 12634 1 19 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.037 0.342 18443 12635 1 19 . 1 1 50 50 LEU C C 50 179.482 179.482 177.891 1.591 18443 12636 1 19 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.531 0.675 18443 12637 1 19 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.730 0.105 18443 12638 1 19 . 1 1 50 50 LEU H H 50 7.291 7.291 7.550 -0.259 18443 12639 1 19 . 1 1 51 51 LEU N N 51 118.677 118.677 116.769 1.908 18443 12640 1 19 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.098 0.192 18443 12641 1 19 . 1 1 51 51 LEU C C 51 179.233 179.233 179.568 -0.335 18443 12642 1 19 . 1 1 51 51 LEU CA C 51 58.343 58.343 56.581 1.762 18443 12643 1 19 . 1 1 51 51 LEU CB C 51 42.386 42.386 41.011 1.375 18443 12644 1 19 . 1 1 51 51 LEU H H 51 8.358 8.358 7.237 1.121 18443 12645 1 19 . 1 1 52 52 GLU N N 52 116.437 116.437 119.264 -2.827 18443 12646 1 19 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.984 0.184 18443 12647 1 19 . 1 1 52 52 GLU C C 52 178.898 178.898 178.729 0.169 18443 12648 1 19 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.060 -0.067 18443 12649 1 19 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.373 0.832 18443 12650 1 19 . 1 1 52 52 GLU H H 52 8.715 8.715 8.474 0.241 18443 12651 1 19 . 1 1 53 53 ALA N N 53 119.092 119.092 120.819 -1.727 18443 12652 1 19 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.146 0.281 18443 12653 1 19 . 1 1 53 53 ALA C C 53 180.298 180.298 178.269 2.029 18443 12654 1 19 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.918 -0.355 18443 12655 1 19 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.226 0.992 18443 12656 1 19 . 1 1 53 53 ALA H H 53 7.782 7.782 7.882 -0.100 18443 12657 1 19 . 1 1 54 54 ARG N N 54 111.562 111.562 112.678 -1.116 18443 12658 1 19 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.457 0.198 18443 12659 1 19 . 1 1 54 54 ARG C C 54 175.560 175.560 174.662 0.898 18443 12660 1 19 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.437 -0.406 18443 12661 1 19 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.405 2.932 18443 12662 1 19 . 1 1 54 54 ARG H H 54 7.740 7.740 7.894 -0.154 18443 12663 1 19 . 1 1 55 55 PHE N N 55 117.038 117.038 121.185 -4.147 18443 12664 1 19 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.468 0.194 18443 12665 1 19 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.266 -0.438 18443 12666 1 19 . 1 1 55 55 PHE CB C 55 43.282 43.282 41.797 1.485 18443 12667 1 19 . 1 1 55 55 PHE H H 55 8.555 8.555 8.235 0.320 18443 12668 1 19 . 1 1 56 56 VAL N N 56 121.038 121.038 122.904 -1.866 18443 12669 1 19 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.296 0.029 18443 12670 1 19 . 1 1 56 56 VAL C C 56 175.305 175.305 175.114 0.191 18443 12671 1 19 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.605 1.341 18443 12672 1 19 . 1 1 56 56 VAL CB C 56 34.505 34.505 32.833 1.672 18443 12673 1 19 . 1 1 56 56 VAL H H 56 8.817 8.817 9.427 -0.610 18443 12674 1 19 . 1 1 57 57 VAL N N 57 125.781 125.781 128.733 -2.952 18443 12675 1 19 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.323 0.653 18443 12676 1 19 . 1 1 57 57 VAL C C 57 174.535 174.535 174.595 -0.060 18443 12677 1 19 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.382 0.008 18443 12678 1 19 . 1 1 57 57 VAL CB C 57 32.936 32.936 32.025 0.911 18443 12679 1 19 . 1 1 57 57 VAL H H 57 9.498 9.498 8.422 1.076 18443 12680 1 19 . 1 1 58 58 ALA N N 58 128.137 128.137 131.375 -3.238 18443 12681 1 19 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.524 0.097 18443 12682 1 19 . 1 1 58 58 ALA C C 58 175.953 175.953 177.189 -1.236 18443 12683 1 19 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.749 -0.985 18443 12684 1 19 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.616 1.099 18443 12685 1 19 . 1 1 58 58 ALA H H 58 9.062 9.062 9.187 -0.125 18443 12686 1 19 . 1 1 59 59 SER N N 59 117.343 117.343 121.358 -4.015 18443 12687 1 19 . 1 1 59 59 SER HA H 59 4.693 4.693 4.929 -0.236 18443 12688 1 19 . 1 1 59 59 SER C C 59 174.092 174.092 174.086 0.006 18443 12689 1 19 . 1 1 59 59 SER CA C 59 56.135 56.135 57.377 -1.242 18443 12690 1 19 . 1 1 59 59 SER CB C 59 63.731 63.731 62.950 0.781 18443 12691 1 19 . 1 1 59 59 SER H H 59 8.676 8.676 9.155 -0.479 18443 12692 1 19 . 1 1 60 60 VAL N N 60 129.829 129.829 128.170 1.659 18443 12693 1 19 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.252 -0.323 18443 12694 1 19 . 1 1 60 60 VAL C C 60 172.999 172.999 174.818 -1.819 18443 12695 1 19 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.485 0.037 18443 12696 1 19 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.425 -0.090 18443 12697 1 19 . 1 1 60 60 VAL H H 60 8.716 8.716 8.525 0.191 18443 12698 1 19 . 1 1 61 61 SER N N 61 119.457 119.457 123.461 -4.004 18443 12699 1 19 . 1 1 61 61 SER HA H 61 4.211 4.211 4.011 0.200 18443 12700 1 19 . 1 1 61 61 SER C C 61 178.511 178.511 174.959 3.552 18443 12701 1 19 . 1 1 61 61 SER CA C 61 55.404 55.404 57.447 -2.043 18443 12702 1 19 . 1 1 61 61 SER CB C 61 63.080 63.080 63.720 -0.640 18443 12703 1 19 . 1 1 61 61 SER H H 61 8.250 8.250 8.818 -0.568 18443 12704 1 19 . 1 1 62 62 VAL N N 62 123.331 123.331 125.339 -2.008 18443 12705 1 19 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.953 0.088 18443 12706 1 19 . 1 1 62 62 VAL C C 62 174.434 174.434 175.250 -0.816 18443 12707 1 19 . 1 1 62 62 VAL CA C 62 62.777 62.777 63.041 -0.264 18443 12708 1 19 . 1 1 62 62 VAL CB C 62 29.867 29.867 30.185 -0.318 18443 12709 1 19 . 1 1 62 62 VAL H H 62 8.954 8.954 8.479 0.475 18443 12710 1 19 . 1 1 63 63 ASP N N 63 119.953 119.953 117.305 2.648 18443 12711 1 19 . 1 1 63 63 ASP HA H 63 4.719 4.719 5.102 -0.383 18443 12712 1 19 . 1 1 63 63 ASP C C 63 175.930 175.930 175.995 -0.065 18443 12713 1 19 . 1 1 63 63 ASP CA C 63 54.930 54.930 54.688 0.242 18443 12714 1 19 . 1 1 63 63 ASP CB C 63 41.218 41.218 42.977 -1.759 18443 12715 1 19 . 1 1 63 63 ASP H H 63 7.966 7.966 8.394 -0.428 18443 12716 1 19 . 1 1 64 64 THR N N 64 108.822 108.822 112.524 -3.702 18443 12717 1 19 . 1 1 64 64 THR HA H 64 4.963 4.963 4.866 0.097 18443 12718 1 19 . 1 1 64 64 THR C C 64 173.012 173.012 173.548 -0.536 18443 12719 1 19 . 1 1 64 64 THR CA C 64 58.176 58.176 58.776 -0.600 18443 12720 1 19 . 1 1 64 64 THR CB C 64 70.326 70.326 69.963 0.363 18443 12721 1 19 . 1 1 64 64 THR H H 64 7.315 7.315 7.569 -0.254 18443 12722 1 19 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.079 0.209 18443 12723 1 19 . 1 1 65 65 PRO C C 65 180.307 180.307 178.405 1.902 18443 12724 1 19 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.227 -0.386 18443 12725 1 19 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.537 0.424 18443 12726 1 19 . 1 1 66 66 GLU N N 66 118.398 118.398 117.792 0.606 18443 12727 1 19 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.063 0.098 18443 12728 1 19 . 1 1 66 66 GLU C C 66 179.940 179.940 178.970 0.970 18443 12729 1 19 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.954 -0.015 18443 12730 1 19 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.905 0.966 18443 12731 1 19 . 1 1 66 66 GLU H H 66 9.304 9.304 8.885 0.419 18443 12732 1 19 . 1 1 67 67 GLY N N 67 110.592 110.592 107.382 3.210 18443 12733 1 19 . 1 1 67 67 GLY C C 67 176.529 176.529 176.349 0.180 18443 12734 1 19 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.322 0.542 18443 12735 1 19 . 1 1 67 67 GLY H H 67 8.172 8.172 8.229 -0.057 18443 12736 1 19 . 1 1 68 68 GLN N N 68 121.948 121.948 121.586 0.362 18443 12737 1 19 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.938 0.075 18443 12738 1 19 . 1 1 68 68 GLN C C 68 179.366 179.366 178.659 0.707 18443 12739 1 19 . 1 1 68 68 GLN CA C 68 59.191 59.191 59.329 -0.138 18443 12740 1 19 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.679 -0.745 18443 12741 1 19 . 1 1 68 68 GLN H H 68 8.504 8.504 8.507 -0.003 18443 12742 1 19 . 1 1 69 69 GLU N N 69 120.280 120.280 119.866 0.414 18443 12743 1 19 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.089 0.081 18443 12744 1 19 . 1 1 69 69 GLU C C 69 179.360 179.360 179.216 0.144 18443 12745 1 19 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.035 0.455 18443 12746 1 19 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.366 -0.435 18443 12747 1 19 . 1 1 69 69 GLU H H 69 7.815 7.815 8.656 -0.841 18443 12748 1 19 . 1 1 70 70 LEU N N 70 121.041 121.041 120.204 0.837 18443 12749 1 19 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.067 0.049 18443 12750 1 19 . 1 1 70 70 LEU C C 70 178.961 178.961 178.909 0.052 18443 12751 1 19 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.771 0.422 18443 12752 1 19 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.596 1.131 18443 12753 1 19 . 1 1 70 70 LEU H H 70 7.758 7.758 7.711 0.047 18443 12754 1 19 . 1 1 71 71 ALA N N 71 122.094 122.094 121.735 0.359 18443 12755 1 19 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.839 -0.266 18443 12756 1 19 . 1 1 71 71 ALA C C 71 179.966 179.966 179.141 0.825 18443 12757 1 19 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.360 -0.322 18443 12758 1 19 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.171 -0.752 18443 12759 1 19 . 1 1 71 71 ALA H H 71 8.745 8.745 8.613 0.132 18443 12760 1 19 . 1 1 72 72 ARG N N 72 118.463 118.463 116.952 1.511 18443 12761 1 19 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.044 0.077 18443 12762 1 19 . 1 1 72 72 ARG C C 72 180.905 180.905 177.646 3.259 18443 12763 1 19 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.425 1.099 18443 12764 1 19 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.804 0.498 18443 12765 1 19 . 1 1 72 72 ARG H H 72 7.862 7.862 7.907 -0.044 18443 12766 1 19 . 1 1 73 73 ARG N N 73 122.223 122.223 119.613 2.610 18443 12767 1 19 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.021 -0.063 18443 12768 1 19 . 1 1 73 73 ARG C C 73 178.562 178.562 178.033 0.529 18443 12769 1 19 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.218 1.320 18443 12770 1 19 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.437 -0.246 18443 12771 1 19 . 1 1 73 73 ARG H H 73 8.189 8.189 7.528 0.661 18443 12772 1 19 . 1 1 74 74 TYR N N 74 114.319 114.319 116.305 -1.986 18443 12773 1 19 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.387 0.014 18443 12774 1 19 . 1 1 74 74 TYR C C 74 174.321 174.321 175.108 -0.787 18443 12775 1 19 . 1 1 74 74 TYR CA C 74 59.784 59.784 59.101 0.683 18443 12776 1 19 . 1 1 74 74 TYR CB C 74 39.264 39.264 38.643 0.621 18443 12777 1 19 . 1 1 74 74 TYR H H 74 8.047 8.047 8.128 -0.081 18443 12778 1 19 . 1 1 75 75 ARG N N 75 119.572 119.572 116.985 2.587 18443 12779 1 19 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.889 -0.020 18443 12780 1 19 . 1 1 75 75 ARG C C 75 175.880 175.880 174.563 1.317 18443 12781 1 19 . 1 1 75 75 ARG CA C 75 56.840 56.840 57.096 -0.256 18443 12782 1 19 . 1 1 75 75 ARG CB C 75 26.508 26.508 28.167 -1.659 18443 12783 1 19 . 1 1 75 75 ARG H H 75 7.865 7.865 7.759 0.106 18443 12784 1 19 . 1 1 76 76 VAL N N 76 119.885 119.885 120.794 -0.909 18443 12785 1 19 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.251 -0.460 18443 12786 1 19 . 1 1 76 76 VAL C C 76 176.374 176.374 173.865 2.509 18443 12787 1 19 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.166 1.590 18443 12788 1 19 . 1 1 76 76 VAL CB C 76 31.913 31.913 33.197 -1.284 18443 12789 1 19 . 1 1 76 76 VAL H H 76 8.024 8.024 7.609 0.415 18443 12790 1 19 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.512 -0.115 18443 12791 1 19 . 1 1 77 77 PRO C C 77 175.829 175.829 176.754 -0.925 18443 12792 1 19 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.169 1.294 18443 12793 1 19 . 1 1 77 77 PRO CB C 77 31.757 31.757 31.895 -0.138 18443 12794 1 19 . 1 1 78 78 GLY N N 78 105.453 105.453 111.888 -6.435 18443 12795 1 19 . 1 1 78 78 GLY C C 78 171.794 171.794 172.490 -0.696 18443 12796 1 19 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.520 0.090 18443 12797 1 19 . 1 1 78 78 GLY H H 78 6.725 6.725 8.292 -1.567 18443 12798 1 19 . 1 1 79 79 THR N N 79 110.056 110.056 112.056 -2.000 18443 12799 1 19 . 1 1 79 79 THR HA H 79 4.886 4.886 5.103 -0.217 18443 12800 1 19 . 1 1 79 79 THR CA C 79 57.957 57.957 58.792 -0.835 18443 12801 1 19 . 1 1 79 79 THR CB C 79 70.685 70.685 71.486 -0.801 18443 12802 1 19 . 1 1 79 79 THR H H 79 8.771 8.771 8.370 0.401 18443 12803 1 19 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.820 0.259 18443 12804 1 19 . 1 1 80 80 PRO C C 80 176.536 176.536 176.049 0.487 18443 12805 1 19 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.252 0.307 18443 12806 1 19 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.676 2.995 18443 12807 1 19 . 1 1 81 81 THR N N 81 116.755 116.755 118.551 -1.796 18443 12808 1 19 . 1 1 81 81 THR HA H 81 5.425 5.425 5.359 0.066 18443 12809 1 19 . 1 1 81 81 THR C C 81 171.960 171.960 173.114 -1.154 18443 12810 1 19 . 1 1 81 81 THR CA C 81 63.540 63.540 61.529 2.011 18443 12811 1 19 . 1 1 81 81 THR CB C 81 71.840 71.840 71.424 0.416 18443 12812 1 19 . 1 1 81 81 THR H H 81 8.176 8.176 7.938 0.238 18443 12813 1 19 . 1 1 82 82 PHE N N 82 126.263 126.263 127.154 -0.891 18443 12814 1 19 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.371 0.265 18443 12815 1 19 . 1 1 82 82 PHE C C 82 174.738 174.738 174.891 -0.153 18443 12816 1 19 . 1 1 82 82 PHE CA C 82 55.770 55.770 55.882 -0.112 18443 12817 1 19 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.344 0.936 18443 12818 1 19 . 1 1 82 82 PHE H H 82 9.540 9.540 9.435 0.105 18443 12819 1 19 . 1 1 83 83 VAL N N 83 123.703 123.703 123.600 0.103 18443 12820 1 19 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.470 0.071 18443 12821 1 19 . 1 1 83 83 VAL C C 83 174.159 174.159 174.799 -0.640 18443 12822 1 19 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.787 0.242 18443 12823 1 19 . 1 1 83 83 VAL CB C 83 35.107 35.107 32.729 2.378 18443 12824 1 19 . 1 1 83 83 VAL H H 83 9.208 9.208 8.916 0.292 18443 12825 1 19 . 1 1 84 84 PHE N N 84 126.003 126.003 127.985 -1.982 18443 12826 1 19 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.371 0.439 18443 12827 1 19 . 1 1 84 84 PHE C C 84 175.481 175.481 175.094 0.387 18443 12828 1 19 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.738 0.515 18443 12829 1 19 . 1 1 84 84 PHE CB C 84 41.812 41.812 39.469 2.343 18443 12830 1 19 . 1 1 84 84 PHE H H 84 8.878 8.878 8.728 0.150 18443 12831 1 19 . 1 1 85 85 LEU N N 85 123.597 123.597 124.715 -1.118 18443 12832 1 19 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.323 0.571 18443 12833 1 19 . 1 1 85 85 LEU C C 85 176.528 176.528 176.303 0.225 18443 12834 1 19 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.844 -0.474 18443 12835 1 19 . 1 1 85 85 LEU CB C 85 48.199 48.199 43.730 4.470 18443 12836 1 19 . 1 1 85 85 LEU H H 85 9.604 9.604 9.011 0.593 18443 12837 1 19 . 1 1 86 86 VAL N N 86 118.274 118.274 123.947 -5.673 18443 12838 1 19 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.643 0.575 18443 12839 1 19 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.082 -1.521 18443 12840 1 19 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.750 1.743 18443 12841 1 19 . 1 1 86 86 VAL H H 86 9.457 9.457 9.231 0.226 18443 12842 1 19 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.184 -0.236 18443 12843 1 19 . 1 1 87 87 PRO C C 87 177.132 177.132 175.664 1.468 18443 12844 1 19 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.438 0.925 18443 12845 1 19 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.388 0.270 18443 12846 1 19 . 1 1 88 88 LYS N N 88 124.554 124.554 121.153 3.401 18443 12847 1 19 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.302 -0.023 18443 12848 1 19 . 1 1 88 88 LYS C C 88 175.739 175.739 176.116 -0.377 18443 12849 1 19 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.904 -0.254 18443 12850 1 19 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.361 0.338 18443 12851 1 19 . 1 1 88 88 LYS H H 88 8.119 8.119 8.088 0.031 18443 12852 1 19 . 1 1 89 89 ALA N N 89 130.786 130.786 126.334 4.452 18443 12853 1 19 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.984 -0.014 18443 12854 1 19 . 1 1 89 89 ALA C C 89 176.947 176.947 177.156 -0.209 18443 12855 1 19 . 1 1 89 89 ALA CA C 89 53.190 53.190 54.002 -0.812 18443 12856 1 19 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.665 -0.286 18443 12857 1 19 . 1 1 89 89 ALA H H 89 9.128 9.128 8.780 0.348 18443 12858 1 19 . 1 1 90 90 GLY N N 90 106.698 106.698 106.463 0.235 18443 12859 1 19 . 1 1 90 90 GLY C C 90 173.352 173.352 172.903 0.449 18443 12860 1 19 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.214 0.372 18443 12861 1 19 . 1 1 90 90 GLY H H 90 8.393 8.393 8.136 0.257 18443 12862 1 19 . 1 1 91 91 ALA N N 91 125.038 125.038 122.273 2.765 18443 12863 1 19 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.552 0.025 18443 12864 1 19 . 1 1 91 91 ALA C C 91 175.940 175.940 174.790 1.150 18443 12865 1 19 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.779 -1.317 18443 12866 1 19 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.759 -0.107 18443 12867 1 19 . 1 1 91 91 ALA H H 91 7.788 7.788 7.580 0.208 18443 12868 1 19 . 1 1 92 92 TRP N N 92 120.760 120.760 120.125 0.635 18443 12869 1 19 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.217 -0.077 18443 12870 1 19 . 1 1 92 92 TRP C C 92 175.960 175.960 176.725 -0.765 18443 12871 1 19 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.811 0.040 18443 12872 1 19 . 1 1 92 92 TRP CB C 92 32.673 32.673 30.750 1.923 18443 12873 1 19 . 1 1 92 92 TRP H H 92 8.235 8.235 8.498 -0.263 18443 12874 1 19 . 1 1 93 93 GLU N N 93 124.341 124.341 124.272 0.069 18443 12875 1 19 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.740 0.121 18443 12876 1 19 . 1 1 93 93 GLU C C 93 175.515 175.515 175.397 0.118 18443 12877 1 19 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.780 -0.001 18443 12878 1 19 . 1 1 93 93 GLU CB C 93 33.192 33.192 32.929 0.263 18443 12879 1 19 . 1 1 93 93 GLU H H 93 9.264 9.264 9.066 0.198 18443 12880 1 19 . 1 1 94 94 GLU N N 94 126.987 126.987 129.416 -2.429 18443 12881 1 19 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.746 0.451 18443 12882 1 19 . 1 1 94 94 GLU C C 94 177.604 177.604 177.347 0.257 18443 12883 1 19 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.480 0.124 18443 12884 1 19 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.897 0.181 18443 12885 1 19 . 1 1 94 94 GLU H H 94 9.123 9.123 9.142 -0.019 18443 12886 1 19 . 1 1 95 95 VAL N N 95 122.004 122.004 120.441 1.563 18443 12887 1 19 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.168 0.524 18443 12888 1 19 . 1 1 95 95 VAL C C 95 175.719 175.719 175.143 0.576 18443 12889 1 19 . 1 1 95 95 VAL CA C 95 61.335 61.335 62.704 -1.369 18443 12890 1 19 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.452 0.813 18443 12891 1 19 . 1 1 95 95 VAL H H 95 9.099 9.099 8.640 0.459 18443 12892 1 19 . 1 1 96 96 GLY N N 96 107.961 107.961 105.311 2.650 18443 12893 1 19 . 1 1 96 96 GLY C C 96 171.052 171.052 171.936 -0.884 18443 12894 1 19 . 1 1 96 96 GLY CA C 96 46.112 46.112 44.871 1.241 18443 12895 1 19 . 1 1 96 96 GLY H H 96 7.754 7.754 7.559 0.195 18443 12896 1 19 . 1 1 97 97 ARG N N 97 117.467 117.467 122.114 -4.647 18443 12897 1 19 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.691 -0.014 18443 12898 1 19 . 1 1 97 97 ARG C C 97 174.403 174.403 174.877 -0.474 18443 12899 1 19 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.201 1.425 18443 12900 1 19 . 1 1 97 97 ARG CB C 97 34.313 34.313 32.887 1.426 18443 12901 1 19 . 1 1 97 97 ARG H H 97 8.489 8.489 8.463 0.026 18443 12902 1 19 . 1 1 98 98 LEU N N 98 122.922 122.922 124.461 -1.539 18443 12903 1 19 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.848 0.077 18443 12904 1 19 . 1 1 98 98 LEU C C 98 174.871 174.871 174.897 -0.026 18443 12905 1 19 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.291 -0.320 18443 12906 1 19 . 1 1 98 98 LEU CB C 98 46.542 46.542 44.627 1.915 18443 12907 1 19 . 1 1 98 98 LEU H H 98 9.504 9.504 9.172 0.332 18443 12908 1 19 . 1 1 99 99 PHE N N 99 124.212 124.212 124.132 0.080 18443 12909 1 19 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.893 -0.245 18443 12910 1 19 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.653 -0.902 18443 12911 1 19 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.019 -0.787 18443 12912 1 19 . 1 1 99 99 PHE H H 99 9.146 9.146 8.783 0.363 18443 12913 1 19 . 1 1 100 100 GLY N N 100 116.438 116.438 114.373 2.065 18443 12914 1 19 . 1 1 100 100 GLY C C 100 173.343 173.343 172.562 0.781 18443 12915 1 19 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.905 -1.469 18443 12916 1 19 . 1 1 100 100 GLY H H 100 8.464 8.464 7.617 0.847 18443 12917 1 19 . 1 1 101 101 SER N N 101 112.597 112.597 115.664 -3.067 18443 12918 1 19 . 1 1 101 101 SER HA H 101 4.616 4.616 4.533 0.083 18443 12919 1 19 . 1 1 101 101 SER C C 101 175.075 175.075 174.767 0.308 18443 12920 1 19 . 1 1 101 101 SER CA C 101 58.288 58.288 58.221 0.067 18443 12921 1 19 . 1 1 101 101 SER CB C 101 64.305 64.305 63.486 0.819 18443 12922 1 19 . 1 1 101 101 SER H H 101 8.366 8.366 8.477 -0.111 18443 12923 1 19 . 1 1 102 102 ARG N N 102 119.662 119.662 122.311 -2.649 18443 12924 1 19 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.449 0.482 18443 12925 1 19 . 1 1 102 102 ARG CA C 102 52.820 52.820 54.388 -1.568 18443 12926 1 19 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.812 1.630 18443 12927 1 19 . 1 1 102 102 ARG H H 102 7.767 7.767 7.928 -0.161 18443 12928 1 19 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.488 0.063 18443 12929 1 19 . 1 1 103 103 PRO C C 103 177.345 177.345 177.525 -0.180 18443 12930 1 19 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.742 -0.666 18443 12931 1 19 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.478 0.390 18443 12932 1 19 . 1 1 104 104 ARG N N 104 121.205 121.205 120.022 1.183 18443 12933 1 19 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.937 -0.005 18443 12934 1 19 . 1 1 104 104 ARG C C 104 177.368 177.368 178.037 -0.669 18443 12935 1 19 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.503 1.408 18443 12936 1 19 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.228 0.936 18443 12937 1 19 . 1 1 104 104 ARG H H 104 8.986 8.986 8.695 0.291 18443 12938 1 19 . 1 1 105 105 ALA N N 105 119.508 119.508 122.092 -2.584 18443 12939 1 19 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.095 0.014 18443 12940 1 19 . 1 1 105 105 ALA C C 105 181.065 181.065 180.185 0.880 18443 12941 1 19 . 1 1 105 105 ALA CA C 105 55.745 55.745 55.016 0.729 18443 12942 1 19 . 1 1 105 105 ALA CB C 105 18.296 18.296 18.007 0.289 18443 12943 1 19 . 1 1 105 105 ALA H H 105 9.033 9.033 8.449 0.584 18443 12944 1 19 . 1 1 106 106 GLU N N 106 117.537 117.537 119.251 -1.714 18443 12945 1 19 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.107 0.022 18443 12946 1 19 . 1 1 106 106 GLU C C 106 178.041 178.041 178.868 -0.827 18443 12947 1 19 . 1 1 106 106 GLU CA C 106 58.793 58.793 59.212 -0.419 18443 12948 1 19 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.217 1.017 18443 12949 1 19 . 1 1 106 106 GLU H H 106 7.201 7.201 8.043 -0.842 18443 12950 1 19 . 1 1 107 107 PHE N N 107 120.721 120.721 121.829 -1.108 18443 12951 1 19 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.072 0.112 18443 12952 1 19 . 1 1 107 107 PHE C C 107 177.235 177.235 177.057 0.178 18443 12953 1 19 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.987 -0.244 18443 12954 1 19 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.237 0.846 18443 12955 1 19 . 1 1 107 107 PHE H H 107 8.555 8.555 8.019 0.536 18443 12956 1 19 . 1 1 108 108 LEU N N 108 117.219 117.219 118.651 -1.432 18443 12957 1 19 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.813 0.018 18443 12958 1 19 . 1 1 108 108 LEU C C 108 178.406 178.406 178.862 -0.456 18443 12959 1 19 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.713 0.771 18443 12960 1 19 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.543 0.609 18443 12961 1 19 . 1 1 108 108 LEU H H 108 8.364 8.364 8.867 -0.503 18443 12962 1 19 . 1 1 109 109 LYS N N 109 118.680 118.680 120.081 -1.401 18443 12963 1 19 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.855 0.046 18443 12964 1 19 . 1 1 109 109 LYS C C 109 179.696 179.696 179.093 0.603 18443 12965 1 19 . 1 1 109 109 LYS CA C 109 60.182 60.182 60.353 -0.171 18443 12966 1 19 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.085 0.181 18443 12967 1 19 . 1 1 109 109 LYS H H 109 7.330 7.330 7.757 -0.427 18443 12968 1 19 . 1 1 110 110 GLU N N 110 119.802 119.802 118.786 1.016 18443 12969 1 19 . 1 1 110 110 GLU HA H 110 3.961 3.961 4.020 -0.059 18443 12970 1 19 . 1 1 110 110 GLU C C 110 179.903 179.903 178.854 1.049 18443 12971 1 19 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.649 0.475 18443 12972 1 19 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.349 -0.577 18443 12973 1 19 . 1 1 110 110 GLU H H 110 8.077 8.077 7.783 0.294 18443 12974 1 19 . 1 1 111 111 LEU N N 111 120.129 120.129 121.181 -1.052 18443 12975 1 19 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.560 -0.028 18443 12976 1 19 . 1 1 111 111 LEU C C 111 179.792 179.792 178.605 1.187 18443 12977 1 19 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.494 -0.060 18443 12978 1 19 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.618 1.110 18443 12979 1 19 . 1 1 111 111 LEU H H 111 8.341 8.341 8.091 0.250 18443 12980 1 19 . 1 1 112 112 ARG N N 112 118.350 118.350 119.266 -0.916 18443 12981 1 19 . 1 1 112 112 ARG HA H 112 3.896 3.896 4.023 -0.127 18443 12982 1 19 . 1 1 112 112 ARG C C 112 179.446 179.446 179.336 0.110 18443 12983 1 19 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.283 2.040 18443 12984 1 19 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.239 0.639 18443 12985 1 19 . 1 1 112 112 ARG H H 112 8.166 8.166 8.322 -0.156 18443 12986 1 19 . 1 1 113 113 GLN N N 113 118.358 118.358 118.449 -0.091 18443 12987 1 19 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.088 0.005 18443 12988 1 19 . 1 1 113 113 GLN C C 113 179.137 179.137 178.293 0.844 18443 12989 1 19 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.019 0.812 18443 12990 1 19 . 1 1 113 113 GLN CB C 113 28.470 28.470 27.932 0.538 18443 12991 1 19 . 1 1 113 113 GLN H H 113 7.842 7.842 7.622 0.220 18443 12992 1 19 . 1 1 114 114 VAL N N 114 120.174 120.174 120.808 -0.634 18443 12993 1 19 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.615 0.036 18443 12994 1 19 . 1 1 114 114 VAL C C 114 177.853 177.853 177.909 -0.056 18443 12995 1 19 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.791 -0.728 18443 12996 1 19 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.826 0.413 18443 12997 1 19 . 1 1 114 114 VAL H H 114 7.947 7.947 8.179 -0.232 18443 12998 1 19 . 1 1 115 115 CYS N N 115 117.549 117.549 117.877 -0.328 18443 12999 1 19 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.372 -0.292 18443 13000 1 19 . 1 1 115 115 CYS C C 115 177.204 177.204 176.880 0.324 18443 13001 1 19 . 1 1 115 115 CYS CA C 115 63.574 63.574 61.128 2.446 18443 13002 1 19 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.076 0.681 18443 13003 1 19 . 1 1 115 115 CYS H H 115 7.801 7.801 8.287 -0.486 18443 13004 1 19 . 1 1 116 116 VAL N N 116 119.053 119.053 122.301 -3.248 18443 13005 1 19 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.710 0.143 18443 13006 1 19 . 1 1 116 116 VAL C C 116 178.840 178.840 178.236 0.604 18443 13007 1 19 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.266 -0.824 18443 13008 1 19 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.630 0.278 18443 13009 1 19 . 1 1 116 116 VAL H H 116 7.465 7.465 7.362 0.103 18443 13010 1 19 . 1 1 117 117 LYS N N 117 121.003 121.003 120.686 0.317 18443 13011 1 19 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.077 0.099 18443 13012 1 19 . 1 1 117 117 LYS C C 117 178.689 178.689 179.618 -0.929 18443 13013 1 19 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.653 -1.098 18443 13014 1 19 . 1 1 117 117 LYS CB C 117 32.718 32.718 32.104 0.614 18443 13015 1 19 . 1 1 117 117 LYS H H 117 7.915 7.915 8.319 -0.404 18443 13016 1 19 . 1 1 118 118 GLY N N 118 106.132 106.132 106.686 -0.554 18443 13017 1 19 . 1 1 118 118 GLY C C 118 174.909 174.909 175.000 -0.091 18443 13018 1 19 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.504 -0.540 18443 13019 1 19 . 1 1 118 118 GLY H H 118 8.472 8.472 8.618 -0.146 18443 13020 1 19 . 1 1 119 119 GLY N N 119 107.977 107.977 107.131 0.846 18443 13021 1 19 . 1 1 119 119 GLY C C 119 174.631 174.631 173.261 1.370 18443 13022 1 19 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.643 1.323 18443 13023 1 19 . 1 1 119 119 GLY H H 119 7.791 7.791 7.692 0.099 18443 13024 1 19 . 1 1 120 120 ALA N N 120 123.981 123.981 121.813 2.168 18443 13025 1 19 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.503 -0.090 18443 13026 1 19 . 1 1 120 120 ALA C C 120 178.143 178.143 176.698 1.445 18443 13027 1 19 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.696 0.120 18443 13028 1 19 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.359 -0.257 18443 13029 1 19 . 1 1 120 120 ALA H H 120 8.171 8.171 7.501 0.670 18443 13030 1 19 . 1 1 121 121 CYS N N 121 117.342 117.342 117.628 -0.286 18443 13031 1 19 . 1 1 121 121 CYS HA H 121 4.510 4.510 3.814 0.696 18443 13032 1 19 . 1 1 121 121 CYS C C 121 175.318 175.318 176.907 -1.589 18443 13033 1 19 . 1 1 121 121 CYS CA C 121 58.974 58.974 61.588 -2.614 18443 13034 1 19 . 1 1 121 121 CYS CB C 121 28.109 28.109 26.534 1.575 18443 13035 1 19 . 1 1 121 121 CYS H H 121 8.200 8.200 8.105 0.095 18443 13036 1 19 . 1 1 122 122 GLY N N 122 110.351 110.351 109.344 1.007 18443 13037 1 19 . 1 1 122 122 GLY C C 122 174.299 174.299 175.007 -0.708 18443 13038 1 19 . 1 1 122 122 GLY CA C 122 45.525 45.525 46.307 -0.782 18443 13039 1 19 . 1 1 122 122 GLY H H 122 8.367 8.367 8.252 0.115 18443 13040 1 19 . 1 1 123 123 GLU N N 123 120.589 120.589 121.480 -0.891 18443 13041 1 19 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.425 -0.118 18443 13042 1 19 . 1 1 123 123 GLU C C 123 177.296 177.296 176.605 0.691 18443 13043 1 19 . 1 1 123 123 GLU CA C 123 56.830 56.830 55.083 1.747 18443 13044 1 19 . 1 1 123 123 GLU CB C 123 30.461 30.461 28.830 1.631 18443 13045 1 19 . 1 1 123 123 GLU H H 123 8.280 8.280 7.764 0.516 18443 13046 1 19 . 1 1 124 124 GLY N N 124 109.521 109.521 107.644 1.877 18443 13047 1 19 . 1 1 124 124 GLY C C 124 174.189 174.189 174.295 -0.106 18443 13048 1 19 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.454 0.086 18443 13049 1 19 . 1 1 124 124 GLY H H 124 8.465 8.465 7.756 0.709 18443 13050 1 19 . 1 1 125 125 HIS N N 125 118.418 118.418 118.207 0.211 18443 13051 1 19 . 1 1 125 125 HIS CA C 125 55.971 55.971 57.150 -1.179 18443 13052 1 19 . 1 1 125 125 HIS CB C 125 30.073 30.073 32.227 -2.154 18443 13053 1 19 . 1 1 125 125 HIS H H 125 8.244 8.244 7.570 0.674 18443 13054 1 20 . 1 1 2 2 SER HA H 2 4.050 4.050 4.539 -0.489 18443 13055 1 20 . 1 1 2 2 SER CA C 2 57.351 57.351 58.369 -1.018 18443 13056 1 20 . 1 1 2 2 SER CB C 2 63.259 63.259 64.557 -1.298 18443 13057 1 20 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.577 -0.275 18443 13058 1 20 . 1 1 3 3 LEU C C 3 175.706 175.706 175.453 0.253 18443 13059 1 20 . 1 1 3 3 LEU CA C 3 55.286 55.286 54.423 0.863 18443 13060 1 20 . 1 1 3 3 LEU CB C 3 42.920 42.920 45.009 -2.089 18443 13061 1 20 . 1 1 4 4 ARG N N 4 127.222 127.222 124.878 2.344 18443 13062 1 20 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.518 -0.200 18443 13063 1 20 . 1 1 4 4 ARG C C 4 173.862 173.862 174.403 -0.541 18443 13064 1 20 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.717 0.263 18443 13065 1 20 . 1 1 4 4 ARG CB C 4 31.326 31.326 30.344 0.982 18443 13066 1 20 . 1 1 4 4 ARG H H 4 8.502 8.502 9.067 -0.565 18443 13067 1 20 . 1 1 5 5 TRP N N 5 123.052 123.052 125.764 -2.712 18443 13068 1 20 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.332 -0.332 18443 13069 1 20 . 1 1 5 5 TRP C C 5 176.309 176.309 176.096 0.213 18443 13070 1 20 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.630 -0.949 18443 13071 1 20 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.621 0.269 18443 13072 1 20 . 1 1 5 5 TRP H H 5 8.184 8.184 8.305 -0.121 18443 13073 1 20 . 1 1 6 6 TYR N N 6 120.957 120.957 120.938 0.019 18443 13074 1 20 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.022 -0.043 18443 13075 1 20 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.820 1.364 18443 13076 1 20 . 1 1 6 6 TYR CB C 6 41.337 41.337 41.513 -0.175 18443 13077 1 20 . 1 1 6 6 TYR H H 6 8.818 8.818 9.379 -0.561 18443 13078 1 20 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.797 0.113 18443 13079 1 20 . 1 1 7 7 PRO C C 7 177.869 177.869 177.597 0.272 18443 13080 1 20 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.666 -0.088 18443 13081 1 20 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.717 0.228 18443 13082 1 20 . 1 1 8 8 TYR N N 8 122.256 122.256 123.278 -1.022 18443 13083 1 20 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.052 -0.009 18443 13084 1 20 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.410 -0.335 18443 13085 1 20 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.063 0.791 18443 13086 1 20 . 1 1 8 8 TYR H H 8 9.408 9.408 9.077 0.331 18443 13087 1 20 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.145 -0.103 18443 13088 1 20 . 1 1 9 9 PRO C C 9 180.472 180.472 178.831 1.641 18443 13089 1 20 . 1 1 9 9 PRO CA C 9 66.386 66.386 65.794 0.592 18443 13090 1 20 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.310 -0.784 18443 13091 1 20 . 1 1 10 10 GLU N N 10 118.047 118.047 118.399 -0.352 18443 13092 1 20 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.059 -0.005 18443 13093 1 20 . 1 1 10 10 GLU C C 10 178.293 178.293 178.318 -0.025 18443 13094 1 20 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.350 -0.320 18443 13095 1 20 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.390 0.919 18443 13096 1 20 . 1 1 10 10 GLU H H 10 7.093 7.093 8.623 -1.530 18443 13097 1 20 . 1 1 11 11 ALA N N 11 121.740 121.740 122.777 -1.037 18443 13098 1 20 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.994 -0.373 18443 13099 1 20 . 1 1 11 11 ALA C C 11 178.890 178.890 179.461 -0.571 18443 13100 1 20 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.364 -0.845 18443 13101 1 20 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.568 0.477 18443 13102 1 20 . 1 1 11 11 ALA H H 11 8.447 8.447 8.642 -0.195 18443 13103 1 20 . 1 1 12 12 LEU N N 12 115.622 115.622 119.543 -3.921 18443 13104 1 20 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.719 -0.268 18443 13105 1 20 . 1 1 12 12 LEU C C 12 179.331 179.331 178.967 0.364 18443 13106 1 20 . 1 1 12 12 LEU CA C 12 58.523 58.523 58.321 0.202 18443 13107 1 20 . 1 1 12 12 LEU CB C 12 40.445 40.445 41.105 -0.660 18443 13108 1 20 . 1 1 12 12 LEU H H 12 7.354 7.354 7.647 -0.293 18443 13109 1 20 . 1 1 13 13 ALA N N 13 120.240 120.240 122.339 -2.099 18443 13110 1 20 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.220 -0.045 18443 13111 1 20 . 1 1 13 13 ALA C C 13 181.630 181.630 179.762 1.868 18443 13112 1 20 . 1 1 13 13 ALA CA C 13 55.325 55.325 54.785 0.540 18443 13113 1 20 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.547 -0.391 18443 13114 1 20 . 1 1 13 13 ALA H H 13 7.201 7.201 7.919 -0.718 18443 13115 1 20 . 1 1 14 14 LEU N N 14 120.757 120.757 120.875 -0.118 18443 13116 1 20 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.851 0.236 18443 13117 1 20 . 1 1 14 14 LEU C C 14 179.635 179.635 179.115 0.520 18443 13118 1 20 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.496 0.192 18443 13119 1 20 . 1 1 14 14 LEU CB C 14 42.792 42.792 40.627 2.164 18443 13120 1 20 . 1 1 14 14 LEU H H 14 8.202 8.202 8.112 0.090 18443 13121 1 20 . 1 1 15 15 ALA N N 15 121.483 121.483 120.102 1.381 18443 13122 1 20 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.994 -0.120 18443 13123 1 20 . 1 1 15 15 ALA C C 15 180.839 180.839 179.749 1.090 18443 13124 1 20 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.096 1.151 18443 13125 1 20 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.555 1.081 18443 13126 1 20 . 1 1 15 15 ALA H H 15 8.594 8.594 8.219 0.375 18443 13127 1 20 . 1 1 16 16 GLN N N 16 117.131 117.131 120.014 -2.883 18443 13128 1 20 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.004 -0.035 18443 13129 1 20 . 1 1 16 16 GLN C C 16 178.701 178.701 177.811 0.890 18443 13130 1 20 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.698 0.455 18443 13131 1 20 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.881 -0.002 18443 13132 1 20 . 1 1 16 16 GLN H H 16 8.609 8.609 8.620 -0.011 18443 13133 1 20 . 1 1 17 17 ALA N N 17 120.088 120.088 119.788 0.300 18443 13134 1 20 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.268 -0.149 18443 13135 1 20 . 1 1 17 17 ALA C C 17 179.305 179.305 178.278 1.027 18443 13136 1 20 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.781 0.838 18443 13137 1 20 . 1 1 17 17 ALA CB C 17 18.263 18.263 19.081 -0.818 18443 13138 1 20 . 1 1 17 17 ALA H H 17 7.635 7.635 8.111 -0.476 18443 13139 1 20 . 1 1 18 18 HIS N N 18 111.636 111.636 114.664 -3.028 18443 13140 1 20 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.636 0.176 18443 13141 1 20 . 1 1 18 18 HIS C C 18 175.021 175.021 175.660 -0.639 18443 13142 1 20 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.261 0.276 18443 13143 1 20 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.052 0.159 18443 13144 1 20 . 1 1 18 18 HIS H H 18 7.728 7.728 7.402 0.326 18443 13145 1 20 . 1 1 19 19 GLY N N 19 111.899 111.899 109.388 2.511 18443 13146 1 20 . 1 1 19 19 GLY C C 19 175.071 175.071 174.095 0.976 18443 13147 1 20 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.720 1.935 18443 13148 1 20 . 1 1 19 19 GLY H H 19 7.886 7.886 8.210 -0.324 18443 13149 1 20 . 1 1 20 20 ARG N N 20 118.442 118.442 118.657 -0.215 18443 13150 1 20 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.531 0.080 18443 13151 1 20 . 1 1 20 20 ARG C C 20 174.586 174.586 175.341 -0.755 18443 13152 1 20 . 1 1 20 20 ARG CA C 20 54.512 54.512 53.662 0.850 18443 13153 1 20 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.661 1.614 18443 13154 1 20 . 1 1 20 20 ARG H H 20 8.239 8.239 8.216 0.023 18443 13155 1 20 . 1 1 21 21 MET N N 21 115.457 115.457 118.651 -3.194 18443 13156 1 20 . 1 1 21 21 MET HA H 21 4.870 4.870 4.616 0.254 18443 13157 1 20 . 1 1 21 21 MET C C 21 175.707 175.707 175.064 0.643 18443 13158 1 20 . 1 1 21 21 MET CA C 21 56.111 56.111 55.425 0.686 18443 13159 1 20 . 1 1 21 21 MET CB C 21 35.717 35.717 35.071 0.646 18443 13160 1 20 . 1 1 21 21 MET H H 21 7.193 7.193 8.834 -1.641 18443 13161 1 20 . 1 1 22 22 VAL N N 22 119.607 119.607 120.688 -1.081 18443 13162 1 20 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.738 0.572 18443 13163 1 20 . 1 1 22 22 VAL C C 22 176.506 176.506 174.627 1.879 18443 13164 1 20 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.490 -1.061 18443 13165 1 20 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.336 2.322 18443 13166 1 20 . 1 1 22 22 VAL H H 22 9.034 9.034 9.173 -0.139 18443 13167 1 20 . 1 1 23 23 MET N N 23 126.309 126.309 128.096 -1.787 18443 13168 1 20 . 1 1 23 23 MET HA H 23 4.878 4.878 4.806 0.072 18443 13169 1 20 . 1 1 23 23 MET C C 23 173.960 173.960 174.429 -0.469 18443 13170 1 20 . 1 1 23 23 MET CA C 23 54.184 54.184 53.987 0.196 18443 13171 1 20 . 1 1 23 23 MET CB C 23 36.920 36.920 34.325 2.595 18443 13172 1 20 . 1 1 23 23 MET H H 23 8.704 8.704 8.556 0.148 18443 13173 1 20 . 1 1 24 24 VAL N N 24 128.959 128.959 128.693 0.266 18443 13174 1 20 . 1 1 24 24 VAL HA H 24 4.338 4.338 3.968 0.370 18443 13175 1 20 . 1 1 24 24 VAL C C 24 174.245 174.245 174.376 -0.131 18443 13176 1 20 . 1 1 24 24 VAL CA C 24 61.753 61.753 61.950 -0.197 18443 13177 1 20 . 1 1 24 24 VAL CB C 24 31.821 31.821 30.327 1.494 18443 13178 1 20 . 1 1 24 24 VAL H H 24 9.908 9.908 9.159 0.749 18443 13179 1 20 . 1 1 25 25 TYR N N 25 129.726 129.726 130.999 -1.273 18443 13180 1 20 . 1 1 25 25 TYR HA H 25 5.227 5.227 4.854 0.373 18443 13181 1 20 . 1 1 25 25 TYR C C 25 173.393 173.393 173.581 -0.188 18443 13182 1 20 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.846 -2.763 18443 13183 1 20 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.053 0.465 18443 13184 1 20 . 1 1 25 25 TYR H H 25 9.031 9.031 9.109 -0.078 18443 13185 1 20 . 1 1 26 26 PHE N N 26 126.719 126.719 127.910 -1.191 18443 13186 1 20 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.782 0.312 18443 13187 1 20 . 1 1 26 26 PHE C C 26 174.151 174.151 174.792 -0.641 18443 13188 1 20 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.206 0.232 18443 13189 1 20 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.217 0.407 18443 13190 1 20 . 1 1 26 26 PHE H H 26 9.162 9.162 8.826 0.336 18443 13191 1 20 . 1 1 27 27 HIS N N 27 118.311 118.311 120.224 -1.913 18443 13192 1 20 . 1 1 27 27 HIS HA H 27 5.162 5.162 4.877 0.285 18443 13193 1 20 . 1 1 27 27 HIS C C 27 173.044 173.044 173.923 -0.879 18443 13194 1 20 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.482 -0.022 18443 13195 1 20 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.487 2.600 18443 13196 1 20 . 1 1 27 27 HIS H H 27 8.168 8.168 8.842 -0.674 18443 13197 1 20 . 1 1 28 28 SER N N 28 112.150 112.150 116.143 -3.993 18443 13198 1 20 . 1 1 28 28 SER HA H 28 4.790 4.790 4.848 -0.058 18443 13199 1 20 . 1 1 28 28 SER C C 28 176.815 176.815 174.602 2.213 18443 13200 1 20 . 1 1 28 28 SER CA C 28 56.260 56.260 56.257 0.003 18443 13201 1 20 . 1 1 28 28 SER CB C 28 65.470 65.470 66.673 -1.203 18443 13202 1 20 . 1 1 28 28 SER H H 28 7.545 7.545 7.713 -0.168 18443 13203 1 20 . 1 1 29 29 GLU N N 29 130.603 130.603 120.913 9.690 18443 13204 1 20 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.186 -0.086 18443 13205 1 20 . 1 1 29 29 GLU C C 29 176.980 176.980 177.154 -0.174 18443 13206 1 20 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.721 -0.051 18443 13207 1 20 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.459 0.180 18443 13208 1 20 . 1 1 29 29 GLU H H 29 9.681 9.681 8.704 0.977 18443 13209 1 20 . 1 1 30 30 HIS N N 30 114.752 114.752 116.914 -2.162 18443 13210 1 20 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.475 0.219 18443 13211 1 20 . 1 1 30 30 HIS C C 30 173.679 173.679 175.133 -1.454 18443 13212 1 20 . 1 1 30 30 HIS CA C 30 54.393 54.393 57.210 -2.817 18443 13213 1 20 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.789 -0.417 18443 13214 1 20 . 1 1 30 30 HIS H H 30 8.226 8.226 8.005 0.221 18443 13215 1 20 . 1 1 31 31 CYS N N 31 124.685 124.685 117.557 7.128 18443 13216 1 20 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.872 0.074 18443 13217 1 20 . 1 1 31 31 CYS C C 31 175.771 175.771 173.270 2.501 18443 13218 1 20 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.398 -0.282 18443 13219 1 20 . 1 1 31 31 CYS CB C 31 31.415 31.415 29.015 2.400 18443 13220 1 20 . 1 1 31 31 CYS H H 31 7.091 7.091 7.833 -0.742 18443 13221 1 20 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.549 -0.215 18443 13222 1 20 . 1 1 32 32 PRO C C 32 179.352 179.352 177.051 2.301 18443 13223 1 20 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.142 1.051 18443 13224 1 20 . 1 1 32 32 PRO CB C 32 32.072 32.072 31.362 0.710 18443 13225 1 20 . 1 1 33 33 TYR N N 33 125.092 125.092 122.722 2.370 18443 13226 1 20 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.314 0.181 18443 13227 1 20 . 1 1 33 33 TYR C C 33 179.457 179.457 176.622 2.835 18443 13228 1 20 . 1 1 33 33 TYR CA C 33 60.880 60.880 61.615 -0.735 18443 13229 1 20 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.293 0.052 18443 13230 1 20 . 1 1 33 33 TYR H H 33 8.621 8.621 8.236 0.385 18443 13231 1 20 . 1 1 34 34 CYS N N 34 127.272 127.272 118.079 9.193 18443 13232 1 20 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.187 0.148 18443 13233 1 20 . 1 1 34 34 CYS C C 34 176.672 176.672 175.978 0.694 18443 13234 1 20 . 1 1 34 34 CYS CA C 34 64.159 64.159 59.476 4.683 18443 13235 1 20 . 1 1 34 34 CYS CB C 34 28.877 28.877 26.568 2.309 18443 13236 1 20 . 1 1 34 34 CYS H H 34 9.440 9.440 8.436 1.004 18443 13237 1 20 . 1 1 35 35 GLN N N 35 118.373 118.373 118.903 -0.530 18443 13238 1 20 . 1 1 35 35 GLN HA H 35 4.059 4.059 4.024 0.035 18443 13239 1 20 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.708 0.666 18443 13240 1 20 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.899 -0.323 18443 13241 1 20 . 1 1 35 35 GLN H H 35 7.866 7.866 7.716 0.150 18443 13242 1 20 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.179 0.067 18443 13243 1 20 . 1 1 36 36 GLN C C 36 178.881 178.881 178.009 0.872 18443 13244 1 20 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.400 1.226 18443 13245 1 20 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.753 -0.148 18443 13246 1 20 . 1 1 37 37 MET N N 37 117.759 117.759 118.475 -0.716 18443 13247 1 20 . 1 1 37 37 MET HA H 37 4.488 4.488 4.150 0.338 18443 13248 1 20 . 1 1 37 37 MET C C 37 179.838 179.838 178.555 1.283 18443 13249 1 20 . 1 1 37 37 MET CA C 37 57.229 57.229 57.716 -0.487 18443 13250 1 20 . 1 1 37 37 MET CB C 37 29.983 29.983 31.959 -1.976 18443 13251 1 20 . 1 1 37 37 MET H H 37 8.125 8.125 7.623 0.502 18443 13252 1 20 . 1 1 38 38 ASN N N 38 122.249 122.249 117.212 5.037 18443 13253 1 20 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.555 -0.193 18443 13254 1 20 . 1 1 38 38 ASN C C 38 177.355 177.355 176.953 0.402 18443 13255 1 20 . 1 1 38 38 ASN CA C 38 56.435 56.435 55.818 0.617 18443 13256 1 20 . 1 1 38 38 ASN CB C 38 37.512 37.512 37.108 0.404 18443 13257 1 20 . 1 1 38 38 ASN H H 38 9.245 9.245 8.898 0.347 18443 13258 1 20 . 1 1 39 39 THR N N 39 113.554 113.554 116.969 -3.415 18443 13259 1 20 . 1 1 39 39 THR HA H 39 3.853 3.853 3.949 -0.096 18443 13260 1 20 . 1 1 39 39 THR C C 39 176.277 176.277 174.878 1.399 18443 13261 1 20 . 1 1 39 39 THR CA C 39 65.843 65.843 66.294 -0.451 18443 13262 1 20 . 1 1 39 39 THR CB C 39 69.595 69.595 68.765 0.830 18443 13263 1 20 . 1 1 39 39 THR H H 39 8.034 8.034 7.189 0.845 18443 13264 1 20 . 1 1 40 40 PHE N N 40 116.394 116.394 117.569 -1.175 18443 13265 1 20 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.450 0.370 18443 13266 1 20 . 1 1 40 40 PHE C C 40 176.255 176.255 177.018 -0.763 18443 13267 1 20 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.690 -0.975 18443 13268 1 20 . 1 1 40 40 PHE CB C 40 40.885 40.885 39.225 1.660 18443 13269 1 20 . 1 1 40 40 PHE H H 40 8.309 8.309 7.546 0.763 18443 13270 1 20 . 1 1 41 41 VAL N N 41 117.246 117.246 118.654 -1.408 18443 13271 1 20 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.700 0.606 18443 13272 1 20 . 1 1 41 41 VAL C C 41 176.704 176.704 178.096 -1.392 18443 13273 1 20 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.426 -0.587 18443 13274 1 20 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.521 2.118 18443 13275 1 20 . 1 1 41 41 VAL H H 41 7.678 7.678 7.763 -0.085 18443 13276 1 20 . 1 1 42 42 LEU N N 42 117.179 117.179 117.546 -0.367 18443 13277 1 20 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.037 -0.089 18443 13278 1 20 . 1 1 42 42 LEU C C 42 175.837 175.837 176.888 -1.051 18443 13279 1 20 . 1 1 42 42 LEU CA C 42 57.296 57.296 55.748 1.548 18443 13280 1 20 . 1 1 42 42 LEU CB C 42 41.115 41.115 41.968 -0.853 18443 13281 1 20 . 1 1 42 42 LEU H H 42 8.882 8.882 7.974 0.908 18443 13282 1 20 . 1 1 43 43 SER N N 43 105.494 105.494 111.500 -6.006 18443 13283 1 20 . 1 1 43 43 SER HA H 43 4.408 4.408 4.484 -0.076 18443 13284 1 20 . 1 1 43 43 SER C C 43 175.397 175.397 173.640 1.757 18443 13285 1 20 . 1 1 43 43 SER CA C 43 57.144 57.144 58.619 -1.475 18443 13286 1 20 . 1 1 43 43 SER CB C 43 64.117 64.117 64.287 -0.171 18443 13287 1 20 . 1 1 43 43 SER H H 43 6.785 6.785 7.366 -0.581 18443 13288 1 20 . 1 1 44 44 ASP N N 44 126.617 126.617 122.831 3.786 18443 13289 1 20 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.495 0.316 18443 13290 1 20 . 1 1 44 44 ASP C C 44 175.644 175.644 176.110 -0.466 18443 13291 1 20 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.468 -0.795 18443 13292 1 20 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.422 1.251 18443 13293 1 20 . 1 1 44 44 ASP H H 44 7.443 7.443 7.332 0.111 18443 13294 1 20 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.172 0.180 18443 13295 1 20 . 1 1 45 45 PRO C C 45 178.792 178.792 178.624 0.168 18443 13296 1 20 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.395 0.364 18443 13297 1 20 . 1 1 45 45 PRO CB C 45 32.339 32.339 32.031 0.308 18443 13298 1 20 . 1 1 46 46 GLY N N 46 107.270 107.270 106.210 1.060 18443 13299 1 20 . 1 1 46 46 GLY C C 46 176.799 176.799 176.566 0.233 18443 13300 1 20 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.941 0.087 18443 13301 1 20 . 1 1 46 46 GLY H H 46 8.161 8.161 8.160 0.001 18443 13302 1 20 . 1 1 47 47 VAL N N 47 124.473 124.473 122.604 1.869 18443 13303 1 20 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.636 -0.041 18443 13304 1 20 . 1 1 47 47 VAL C C 47 177.886 177.886 178.094 -0.208 18443 13305 1 20 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.473 0.027 18443 13306 1 20 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.544 0.881 18443 13307 1 20 . 1 1 47 47 VAL H H 47 8.344 8.344 8.343 0.001 18443 13308 1 20 . 1 1 48 48 SER N N 48 113.807 113.807 115.797 -1.990 18443 13309 1 20 . 1 1 48 48 SER HA H 48 4.053 4.053 4.056 -0.003 18443 13310 1 20 . 1 1 48 48 SER C C 48 176.889 176.889 176.583 0.306 18443 13311 1 20 . 1 1 48 48 SER CA C 48 62.777 62.777 62.188 0.589 18443 13312 1 20 . 1 1 48 48 SER CB C 48 62.884 62.884 62.570 0.314 18443 13313 1 20 . 1 1 48 48 SER H H 48 9.023 9.023 8.493 0.530 18443 13314 1 20 . 1 1 49 49 ARG N N 49 119.875 119.875 120.846 -0.971 18443 13315 1 20 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.001 0.163 18443 13316 1 20 . 1 1 49 49 ARG C C 49 179.398 179.398 178.598 0.800 18443 13317 1 20 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.492 0.066 18443 13318 1 20 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.982 0.265 18443 13319 1 20 . 1 1 49 49 ARG H H 49 8.081 8.081 8.070 0.011 18443 13320 1 20 . 1 1 50 50 LEU N N 50 121.717 121.717 119.919 1.798 18443 13321 1 20 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.046 0.333 18443 13322 1 20 . 1 1 50 50 LEU C C 50 179.482 179.482 178.989 0.493 18443 13323 1 20 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.556 0.650 18443 13324 1 20 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.641 0.194 18443 13325 1 20 . 1 1 50 50 LEU H H 50 7.291 7.291 7.586 -0.295 18443 13326 1 20 . 1 1 51 51 LEU N N 51 118.677 118.677 119.894 -1.217 18443 13327 1 20 . 1 1 51 51 LEU HA H 51 4.290 4.290 3.946 0.344 18443 13328 1 20 . 1 1 51 51 LEU C C 51 179.233 179.233 179.426 -0.193 18443 13329 1 20 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.692 0.651 18443 13330 1 20 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.249 2.137 18443 13331 1 20 . 1 1 51 51 LEU H H 51 8.358 8.358 7.679 0.679 18443 13332 1 20 . 1 1 52 52 GLU N N 52 116.437 116.437 118.448 -2.011 18443 13333 1 20 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.986 0.182 18443 13334 1 20 . 1 1 52 52 GLU C C 52 178.898 178.898 178.719 0.179 18443 13335 1 20 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.013 -0.020 18443 13336 1 20 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.077 1.128 18443 13337 1 20 . 1 1 52 52 GLU H H 52 8.715 8.715 8.687 0.028 18443 13338 1 20 . 1 1 53 53 ALA N N 53 119.092 119.092 119.643 -0.551 18443 13339 1 20 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.174 0.253 18443 13340 1 20 . 1 1 53 53 ALA C C 53 180.298 180.298 178.058 2.240 18443 13341 1 20 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.362 0.201 18443 13342 1 20 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.450 0.768 18443 13343 1 20 . 1 1 53 53 ALA H H 53 7.782 7.782 7.580 0.202 18443 13344 1 20 . 1 1 54 54 ARG N N 54 111.562 111.562 111.843 -0.281 18443 13345 1 20 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.502 0.153 18443 13346 1 20 . 1 1 54 54 ARG C C 54 175.560 175.560 175.003 0.557 18443 13347 1 20 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.308 -0.277 18443 13348 1 20 . 1 1 54 54 ARG CB C 54 33.337 33.337 31.151 2.186 18443 13349 1 20 . 1 1 54 54 ARG H H 54 7.740 7.740 7.901 -0.161 18443 13350 1 20 . 1 1 55 55 PHE N N 55 117.038 117.038 120.477 -3.439 18443 13351 1 20 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.607 0.055 18443 13352 1 20 . 1 1 55 55 PHE CA C 55 56.828 56.828 56.699 0.129 18443 13353 1 20 . 1 1 55 55 PHE CB C 55 43.282 43.282 43.085 0.197 18443 13354 1 20 . 1 1 55 55 PHE H H 55 8.555 8.555 8.735 -0.180 18443 13355 1 20 . 1 1 56 56 VAL N N 56 121.038 121.038 120.969 0.069 18443 13356 1 20 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.390 -0.065 18443 13357 1 20 . 1 1 56 56 VAL C C 56 175.305 175.305 174.910 0.395 18443 13358 1 20 . 1 1 56 56 VAL CA C 56 62.946 62.946 60.868 2.078 18443 13359 1 20 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.038 1.467 18443 13360 1 20 . 1 1 56 56 VAL H H 56 8.817 8.817 9.317 -0.500 18443 13361 1 20 . 1 1 57 57 VAL N N 57 125.781 125.781 128.055 -2.274 18443 13362 1 20 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.167 0.809 18443 13363 1 20 . 1 1 57 57 VAL C C 57 174.535 174.535 174.536 -0.001 18443 13364 1 20 . 1 1 57 57 VAL CA C 57 61.390 61.390 60.844 0.546 18443 13365 1 20 . 1 1 57 57 VAL CB C 57 32.936 32.936 30.499 2.437 18443 13366 1 20 . 1 1 57 57 VAL H H 57 9.498 9.498 8.068 1.430 18443 13367 1 20 . 1 1 58 58 ALA N N 58 128.137 128.137 131.943 -3.806 18443 13368 1 20 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.467 0.154 18443 13369 1 20 . 1 1 58 58 ALA C C 58 175.953 175.953 177.224 -1.271 18443 13370 1 20 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.871 -1.107 18443 13371 1 20 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.725 0.990 18443 13372 1 20 . 1 1 58 58 ALA H H 58 9.062 9.062 8.917 0.145 18443 13373 1 20 . 1 1 59 59 SER N N 59 117.343 117.343 121.383 -4.040 18443 13374 1 20 . 1 1 59 59 SER HA H 59 4.693 4.693 5.055 -0.362 18443 13375 1 20 . 1 1 59 59 SER C C 59 174.092 174.092 174.075 0.017 18443 13376 1 20 . 1 1 59 59 SER CA C 59 56.135 56.135 57.242 -1.107 18443 13377 1 20 . 1 1 59 59 SER CB C 59 63.731 63.731 63.093 0.638 18443 13378 1 20 . 1 1 59 59 SER H H 59 8.676 8.676 9.177 -0.501 18443 13379 1 20 . 1 1 60 60 VAL N N 60 129.829 129.829 127.769 2.060 18443 13380 1 20 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.340 -0.411 18443 13381 1 20 . 1 1 60 60 VAL C C 60 172.999 172.999 174.998 -1.999 18443 13382 1 20 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.485 0.037 18443 13383 1 20 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.766 -0.431 18443 13384 1 20 . 1 1 60 60 VAL H H 60 8.716 8.716 8.870 -0.154 18443 13385 1 20 . 1 1 61 61 SER N N 61 119.457 119.457 123.030 -3.573 18443 13386 1 20 . 1 1 61 61 SER HA H 61 4.211 4.211 3.905 0.306 18443 13387 1 20 . 1 1 61 61 SER C C 61 178.511 178.511 174.946 3.565 18443 13388 1 20 . 1 1 61 61 SER CA C 61 55.404 55.404 57.560 -2.156 18443 13389 1 20 . 1 1 61 61 SER CB C 61 63.080 63.080 63.111 -0.031 18443 13390 1 20 . 1 1 61 61 SER H H 61 8.250 8.250 8.813 -0.563 18443 13391 1 20 . 1 1 62 62 VAL N N 62 123.331 123.331 124.749 -1.418 18443 13392 1 20 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.889 0.152 18443 13393 1 20 . 1 1 62 62 VAL C C 62 174.434 174.434 176.276 -1.842 18443 13394 1 20 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.043 -1.266 18443 13395 1 20 . 1 1 62 62 VAL CB C 62 29.867 29.867 30.922 -1.055 18443 13396 1 20 . 1 1 62 62 VAL H H 62 8.954 8.954 8.680 0.274 18443 13397 1 20 . 1 1 63 63 ASP N N 63 119.953 119.953 116.877 3.076 18443 13398 1 20 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.437 0.282 18443 13399 1 20 . 1 1 63 63 ASP C C 63 175.930 175.930 176.538 -0.608 18443 13400 1 20 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.270 -0.340 18443 13401 1 20 . 1 1 63 63 ASP CB C 63 41.218 41.218 40.975 0.243 18443 13402 1 20 . 1 1 63 63 ASP H H 63 7.966 7.966 7.983 -0.017 18443 13403 1 20 . 1 1 64 64 THR N N 64 108.822 108.822 112.546 -3.724 18443 13404 1 20 . 1 1 64 64 THR HA H 64 4.963 4.963 4.733 0.230 18443 13405 1 20 . 1 1 64 64 THR C C 64 173.012 173.012 174.417 -1.405 18443 13406 1 20 . 1 1 64 64 THR CA C 64 58.176 58.176 59.439 -1.263 18443 13407 1 20 . 1 1 64 64 THR CB C 64 70.326 70.326 70.110 0.216 18443 13408 1 20 . 1 1 64 64 THR H H 64 7.315 7.315 7.287 0.028 18443 13409 1 20 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.167 0.121 18443 13410 1 20 . 1 1 65 65 PRO C C 65 180.307 180.307 178.665 1.642 18443 13411 1 20 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.148 -0.307 18443 13412 1 20 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.559 0.402 18443 13413 1 20 . 1 1 66 66 GLU N N 66 118.398 118.398 117.734 0.664 18443 13414 1 20 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.129 0.032 18443 13415 1 20 . 1 1 66 66 GLU C C 66 179.940 179.940 178.967 0.973 18443 13416 1 20 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.590 0.349 18443 13417 1 20 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.885 0.986 18443 13418 1 20 . 1 1 66 66 GLU H H 66 9.304 9.304 8.891 0.413 18443 13419 1 20 . 1 1 67 67 GLY N N 67 110.592 110.592 108.362 2.230 18443 13420 1 20 . 1 1 67 67 GLY C C 67 176.529 176.529 176.315 0.214 18443 13421 1 20 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.416 0.448 18443 13422 1 20 . 1 1 67 67 GLY H H 67 8.172 8.172 7.885 0.287 18443 13423 1 20 . 1 1 68 68 GLN N N 68 121.948 121.948 121.593 0.355 18443 13424 1 20 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.967 0.046 18443 13425 1 20 . 1 1 68 68 GLN C C 68 179.366 179.366 178.363 1.003 18443 13426 1 20 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.859 0.332 18443 13427 1 20 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.855 -0.921 18443 13428 1 20 . 1 1 68 68 GLN H H 68 8.504 8.504 8.678 -0.174 18443 13429 1 20 . 1 1 69 69 GLU N N 69 120.280 120.280 120.792 -0.512 18443 13430 1 20 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.111 0.059 18443 13431 1 20 . 1 1 69 69 GLU C C 69 179.360 179.360 178.734 0.626 18443 13432 1 20 . 1 1 69 69 GLU CA C 69 59.490 59.490 58.844 0.646 18443 13433 1 20 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.073 -0.142 18443 13434 1 20 . 1 1 69 69 GLU H H 69 7.815 7.815 8.227 -0.412 18443 13435 1 20 . 1 1 70 70 LEU N N 70 121.041 121.041 120.120 0.921 18443 13436 1 20 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.135 -0.019 18443 13437 1 20 . 1 1 70 70 LEU C C 70 178.961 178.961 178.965 -0.004 18443 13438 1 20 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.669 0.524 18443 13439 1 20 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.573 1.154 18443 13440 1 20 . 1 1 70 70 LEU H H 70 7.758 7.758 8.062 -0.304 18443 13441 1 20 . 1 1 71 71 ALA N N 71 122.094 122.094 121.678 0.416 18443 13442 1 20 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.845 -0.272 18443 13443 1 20 . 1 1 71 71 ALA C C 71 179.966 179.966 179.694 0.272 18443 13444 1 20 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.052 -0.014 18443 13445 1 20 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.020 -0.601 18443 13446 1 20 . 1 1 71 71 ALA H H 71 8.745 8.745 8.339 0.406 18443 13447 1 20 . 1 1 72 72 ARG N N 72 118.463 118.463 118.372 0.091 18443 13448 1 20 . 1 1 72 72 ARG HA H 72 4.121 4.121 3.996 0.125 18443 13449 1 20 . 1 1 72 72 ARG C C 72 180.905 180.905 177.960 2.945 18443 13450 1 20 . 1 1 72 72 ARG CA C 72 59.524 59.524 59.092 0.432 18443 13451 1 20 . 1 1 72 72 ARG CB C 72 30.302 30.302 30.112 0.190 18443 13452 1 20 . 1 1 72 72 ARG H H 72 7.862 7.862 7.645 0.217 18443 13453 1 20 . 1 1 73 73 ARG N N 73 122.223 122.223 118.172 4.051 18443 13454 1 20 . 1 1 73 73 ARG HA H 73 3.958 3.958 3.920 0.038 18443 13455 1 20 . 1 1 73 73 ARG C C 73 178.562 178.562 178.245 0.317 18443 13456 1 20 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.740 0.798 18443 13457 1 20 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.466 -0.275 18443 13458 1 20 . 1 1 73 73 ARG H H 73 8.189 8.189 7.960 0.229 18443 13459 1 20 . 1 1 74 74 TYR N N 74 114.319 114.319 115.504 -1.185 18443 13460 1 20 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.515 -0.114 18443 13461 1 20 . 1 1 74 74 TYR C C 74 174.321 174.321 174.620 -0.299 18443 13462 1 20 . 1 1 74 74 TYR CA C 74 59.784 59.784 57.931 1.853 18443 13463 1 20 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.032 0.232 18443 13464 1 20 . 1 1 74 74 TYR H H 74 8.047 8.047 8.228 -0.181 18443 13465 1 20 . 1 1 75 75 ARG N N 75 119.572 119.572 116.464 3.108 18443 13466 1 20 . 1 1 75 75 ARG HA H 75 3.869 3.869 4.037 -0.168 18443 13467 1 20 . 1 1 75 75 ARG C C 75 175.880 175.880 174.716 1.164 18443 13468 1 20 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.823 0.017 18443 13469 1 20 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.691 -1.183 18443 13470 1 20 . 1 1 75 75 ARG H H 75 7.865 7.865 7.471 0.394 18443 13471 1 20 . 1 1 76 76 VAL N N 76 119.885 119.885 122.273 -2.388 18443 13472 1 20 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.269 -0.478 18443 13473 1 20 . 1 1 76 76 VAL C C 76 176.374 176.374 173.641 2.733 18443 13474 1 20 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.703 1.054 18443 13475 1 20 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.660 -0.747 18443 13476 1 20 . 1 1 76 76 VAL H H 76 8.024 8.024 8.074 -0.050 18443 13477 1 20 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.642 -0.245 18443 13478 1 20 . 1 1 77 77 PRO C C 77 175.829 175.829 176.558 -0.729 18443 13479 1 20 . 1 1 77 77 PRO CA C 77 63.462 63.462 61.928 1.534 18443 13480 1 20 . 1 1 77 77 PRO CB C 77 31.757 31.757 31.448 0.309 18443 13481 1 20 . 1 1 78 78 GLY N N 78 105.453 105.453 112.290 -6.837 18443 13482 1 20 . 1 1 78 78 GLY C C 78 171.794 171.794 172.312 -0.518 18443 13483 1 20 . 1 1 78 78 GLY CA C 78 44.609 44.609 44.670 -0.061 18443 13484 1 20 . 1 1 78 78 GLY H H 78 6.725 6.725 8.141 -1.416 18443 13485 1 20 . 1 1 79 79 THR N N 79 110.056 110.056 114.845 -4.789 18443 13486 1 20 . 1 1 79 79 THR HA H 79 4.886 4.886 4.802 0.084 18443 13487 1 20 . 1 1 79 79 THR CA C 79 57.957 57.957 60.364 -2.407 18443 13488 1 20 . 1 1 79 79 THR CB C 79 70.685 70.685 71.832 -1.147 18443 13489 1 20 . 1 1 79 79 THR H H 79 8.771 8.771 8.429 0.342 18443 13490 1 20 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.759 0.320 18443 13491 1 20 . 1 1 80 80 PRO C C 80 176.536 176.536 175.656 0.880 18443 13492 1 20 . 1 1 80 80 PRO CA C 80 62.559 62.559 61.732 0.827 18443 13493 1 20 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.387 3.284 18443 13494 1 20 . 1 1 81 81 THR N N 81 116.755 116.755 121.429 -4.674 18443 13495 1 20 . 1 1 81 81 THR HA H 81 5.425 5.425 4.988 0.437 18443 13496 1 20 . 1 1 81 81 THR C C 81 171.960 171.960 173.701 -1.741 18443 13497 1 20 . 1 1 81 81 THR CA C 81 63.540 63.540 62.308 1.232 18443 13498 1 20 . 1 1 81 81 THR CB C 81 71.840 71.840 70.065 1.775 18443 13499 1 20 . 1 1 81 81 THR H H 81 8.176 8.176 8.080 0.096 18443 13500 1 20 . 1 1 82 82 PHE N N 82 126.263 126.263 128.035 -1.772 18443 13501 1 20 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.270 0.366 18443 13502 1 20 . 1 1 82 82 PHE C C 82 174.738 174.738 175.396 -0.658 18443 13503 1 20 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.226 -0.456 18443 13504 1 20 . 1 1 82 82 PHE CB C 82 41.280 41.280 39.638 1.642 18443 13505 1 20 . 1 1 82 82 PHE H H 82 9.540 9.540 9.390 0.150 18443 13506 1 20 . 1 1 83 83 VAL N N 83 123.703 123.703 123.921 -0.218 18443 13507 1 20 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.545 -0.004 18443 13508 1 20 . 1 1 83 83 VAL C C 83 174.159 174.159 175.010 -0.851 18443 13509 1 20 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.782 0.247 18443 13510 1 20 . 1 1 83 83 VAL CB C 83 35.107 35.107 32.938 2.169 18443 13511 1 20 . 1 1 83 83 VAL H H 83 9.208 9.208 9.053 0.155 18443 13512 1 20 . 1 1 84 84 PHE N N 84 126.003 126.003 128.170 -2.167 18443 13513 1 20 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.378 0.432 18443 13514 1 20 . 1 1 84 84 PHE C C 84 175.481 175.481 175.043 0.438 18443 13515 1 20 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.911 0.342 18443 13516 1 20 . 1 1 84 84 PHE CB C 84 41.812 41.812 39.804 2.007 18443 13517 1 20 . 1 1 84 84 PHE H H 84 8.878 8.878 9.385 -0.507 18443 13518 1 20 . 1 1 85 85 LEU N N 85 123.597 123.597 124.955 -1.358 18443 13519 1 20 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.823 0.071 18443 13520 1 20 . 1 1 85 85 LEU C C 85 176.528 176.528 176.313 0.215 18443 13521 1 20 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.612 -0.242 18443 13522 1 20 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.223 3.976 18443 13523 1 20 . 1 1 85 85 LEU H H 85 9.604 9.604 9.233 0.371 18443 13524 1 20 . 1 1 86 86 VAL N N 86 118.274 118.274 124.015 -5.741 18443 13525 1 20 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.628 0.590 18443 13526 1 20 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.213 -1.652 18443 13527 1 20 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.683 1.810 18443 13528 1 20 . 1 1 86 86 VAL H H 86 9.457 9.457 9.240 0.217 18443 13529 1 20 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.454 -0.506 18443 13530 1 20 . 1 1 87 87 PRO C C 87 177.132 177.132 175.798 1.334 18443 13531 1 20 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.944 0.418 18443 13532 1 20 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.726 -0.068 18443 13533 1 20 . 1 1 88 88 LYS N N 88 124.554 124.554 123.133 1.421 18443 13534 1 20 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.542 -0.263 18443 13535 1 20 . 1 1 88 88 LYS C C 88 175.739 175.739 176.242 -0.503 18443 13536 1 20 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.335 0.315 18443 13537 1 20 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.348 0.350 18443 13538 1 20 . 1 1 88 88 LYS H H 88 8.119 8.119 8.609 -0.490 18443 13539 1 20 . 1 1 89 89 ALA N N 89 130.786 130.786 127.958 2.828 18443 13540 1 20 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.934 0.036 18443 13541 1 20 . 1 1 89 89 ALA C C 89 176.947 176.947 177.503 -0.556 18443 13542 1 20 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.788 -0.598 18443 13543 1 20 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.619 -0.239 18443 13544 1 20 . 1 1 89 89 ALA H H 89 9.128 9.128 8.909 0.219 18443 13545 1 20 . 1 1 90 90 GLY N N 90 106.698 106.698 106.587 0.111 18443 13546 1 20 . 1 1 90 90 GLY C C 90 173.352 173.352 172.919 0.433 18443 13547 1 20 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.205 0.381 18443 13548 1 20 . 1 1 90 90 GLY H H 90 8.393 8.393 8.168 0.225 18443 13549 1 20 . 1 1 91 91 ALA N N 91 125.038 125.038 122.270 2.768 18443 13550 1 20 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.703 -0.126 18443 13551 1 20 . 1 1 91 91 ALA C C 91 175.940 175.940 174.428 1.512 18443 13552 1 20 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.004 -0.542 18443 13553 1 20 . 1 1 91 91 ALA CB C 91 20.652 20.652 21.220 -0.568 18443 13554 1 20 . 1 1 91 91 ALA H H 91 7.788 7.788 7.811 -0.023 18443 13555 1 20 . 1 1 92 92 TRP N N 92 120.760 120.760 119.176 1.584 18443 13556 1 20 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.122 0.018 18443 13557 1 20 . 1 1 92 92 TRP C C 92 175.960 175.960 176.488 -0.528 18443 13558 1 20 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.744 0.107 18443 13559 1 20 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.271 1.402 18443 13560 1 20 . 1 1 92 92 TRP H H 92 8.235 8.235 8.476 -0.241 18443 13561 1 20 . 1 1 93 93 GLU N N 93 124.341 124.341 123.017 1.324 18443 13562 1 20 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.760 0.101 18443 13563 1 20 . 1 1 93 93 GLU C C 93 175.515 175.515 175.136 0.379 18443 13564 1 20 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.268 0.511 18443 13565 1 20 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.690 -0.498 18443 13566 1 20 . 1 1 93 93 GLU H H 93 9.264 9.264 8.972 0.292 18443 13567 1 20 . 1 1 94 94 GLU N N 94 126.987 126.987 127.484 -0.497 18443 13568 1 20 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.694 0.503 18443 13569 1 20 . 1 1 94 94 GLU C C 94 177.604 177.604 176.221 1.383 18443 13570 1 20 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.332 0.272 18443 13571 1 20 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.757 0.321 18443 13572 1 20 . 1 1 94 94 GLU H H 94 9.123 9.123 9.012 0.111 18443 13573 1 20 . 1 1 95 95 VAL N N 95 122.004 122.004 127.387 -5.383 18443 13574 1 20 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.105 0.587 18443 13575 1 20 . 1 1 95 95 VAL C C 95 175.719 175.719 174.958 0.761 18443 13576 1 20 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.501 -0.166 18443 13577 1 20 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.667 0.598 18443 13578 1 20 . 1 1 95 95 VAL H H 95 9.099 9.099 8.960 0.139 18443 13579 1 20 . 1 1 96 96 GLY N N 96 107.961 107.961 106.620 1.341 18443 13580 1 20 . 1 1 96 96 GLY C C 96 171.052 171.052 171.647 -0.595 18443 13581 1 20 . 1 1 96 96 GLY CA C 96 46.112 46.112 44.935 1.177 18443 13582 1 20 . 1 1 96 96 GLY H H 96 7.754 7.754 7.413 0.341 18443 13583 1 20 . 1 1 97 97 ARG N N 97 117.467 117.467 121.086 -3.619 18443 13584 1 20 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.827 -0.150 18443 13585 1 20 . 1 1 97 97 ARG C C 97 174.403 174.403 175.581 -1.178 18443 13586 1 20 . 1 1 97 97 ARG CA C 97 55.626 55.626 55.043 0.583 18443 13587 1 20 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.890 0.423 18443 13588 1 20 . 1 1 97 97 ARG H H 97 8.489 8.489 8.398 0.091 18443 13589 1 20 . 1 1 98 98 LEU N N 98 122.922 122.922 123.445 -0.523 18443 13590 1 20 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.986 -0.061 18443 13591 1 20 . 1 1 98 98 LEU C C 98 174.871 174.871 175.689 -0.818 18443 13592 1 20 . 1 1 98 98 LEU CA C 98 53.971 53.971 53.789 0.182 18443 13593 1 20 . 1 1 98 98 LEU CB C 98 46.542 46.542 46.248 0.294 18443 13594 1 20 . 1 1 98 98 LEU H H 98 9.504 9.504 9.302 0.202 18443 13595 1 20 . 1 1 99 99 PHE N N 99 124.212 124.212 122.584 1.628 18443 13596 1 20 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.709 -0.061 18443 13597 1 20 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.003 -0.252 18443 13598 1 20 . 1 1 99 99 PHE CB C 99 41.232 41.232 41.461 -0.229 18443 13599 1 20 . 1 1 99 99 PHE H H 99 9.146 9.146 8.954 0.192 18443 13600 1 20 . 1 1 100 100 GLY N N 100 116.438 116.438 115.342 1.096 18443 13601 1 20 . 1 1 100 100 GLY C C 100 173.343 173.343 173.498 -0.155 18443 13602 1 20 . 1 1 100 100 GLY CA C 100 43.436 43.436 45.335 -1.899 18443 13603 1 20 . 1 1 100 100 GLY H H 100 8.464 8.464 8.268 0.196 18443 13604 1 20 . 1 1 101 101 SER N N 101 112.597 112.597 116.922 -4.325 18443 13605 1 20 . 1 1 101 101 SER HA H 101 4.616 4.616 4.873 -0.257 18443 13606 1 20 . 1 1 101 101 SER C C 101 175.075 175.075 175.231 -0.156 18443 13607 1 20 . 1 1 101 101 SER CA C 101 58.288 58.288 58.212 0.076 18443 13608 1 20 . 1 1 101 101 SER CB C 101 64.305 64.305 65.017 -0.712 18443 13609 1 20 . 1 1 101 101 SER H H 101 8.366 8.366 8.086 0.280 18443 13610 1 20 . 1 1 102 102 ARG N N 102 119.662 119.662 125.100 -5.438 18443 13611 1 20 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.669 0.262 18443 13612 1 20 . 1 1 102 102 ARG CA C 102 52.820 52.820 54.177 -1.357 18443 13613 1 20 . 1 1 102 102 ARG CB C 102 31.442 31.442 29.031 2.411 18443 13614 1 20 . 1 1 102 102 ARG H H 102 7.767 7.767 8.082 -0.315 18443 13615 1 20 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.452 0.099 18443 13616 1 20 . 1 1 103 103 PRO C C 103 177.345 177.345 177.473 -0.128 18443 13617 1 20 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.658 -0.582 18443 13618 1 20 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.781 0.088 18443 13619 1 20 . 1 1 104 104 ARG N N 104 121.205 121.205 121.290 -0.085 18443 13620 1 20 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.927 0.005 18443 13621 1 20 . 1 1 104 104 ARG C C 104 177.368 177.368 178.289 -0.921 18443 13622 1 20 . 1 1 104 104 ARG CA C 104 60.911 60.911 60.036 0.875 18443 13623 1 20 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.882 0.282 18443 13624 1 20 . 1 1 104 104 ARG H H 104 8.986 8.986 8.796 0.190 18443 13625 1 20 . 1 1 105 105 ALA N N 105 119.508 119.508 120.948 -1.440 18443 13626 1 20 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.120 -0.011 18443 13627 1 20 . 1 1 105 105 ALA C C 105 181.065 181.065 179.820 1.245 18443 13628 1 20 . 1 1 105 105 ALA CA C 105 55.745 55.745 55.072 0.673 18443 13629 1 20 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.920 0.376 18443 13630 1 20 . 1 1 105 105 ALA H H 105 9.033 9.033 8.426 0.607 18443 13631 1 20 . 1 1 106 106 GLU N N 106 117.537 117.537 119.362 -1.825 18443 13632 1 20 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.121 0.008 18443 13633 1 20 . 1 1 106 106 GLU C C 106 178.041 178.041 178.735 -0.694 18443 13634 1 20 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.518 0.275 18443 13635 1 20 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.613 0.621 18443 13636 1 20 . 1 1 106 106 GLU H H 106 7.201 7.201 8.095 -0.894 18443 13637 1 20 . 1 1 107 107 PHE N N 107 120.721 120.721 121.635 -0.914 18443 13638 1 20 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.121 0.063 18443 13639 1 20 . 1 1 107 107 PHE C C 107 177.235 177.235 177.053 0.182 18443 13640 1 20 . 1 1 107 107 PHE CA C 107 61.743 61.743 62.094 -0.351 18443 13641 1 20 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.270 0.813 18443 13642 1 20 . 1 1 107 107 PHE H H 107 8.555 8.555 8.537 0.018 18443 13643 1 20 . 1 1 108 108 LEU N N 108 117.219 117.219 118.710 -1.491 18443 13644 1 20 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.824 0.007 18443 13645 1 20 . 1 1 108 108 LEU C C 108 178.406 178.406 178.704 -0.298 18443 13646 1 20 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.286 1.198 18443 13647 1 20 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.358 0.794 18443 13648 1 20 . 1 1 108 108 LEU H H 108 8.364 8.364 8.957 -0.593 18443 13649 1 20 . 1 1 109 109 LYS N N 109 118.680 118.680 120.773 -2.093 18443 13650 1 20 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.882 0.019 18443 13651 1 20 . 1 1 109 109 LYS C C 109 179.696 179.696 178.764 0.932 18443 13652 1 20 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.910 0.272 18443 13653 1 20 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.208 0.058 18443 13654 1 20 . 1 1 109 109 LYS H H 109 7.330 7.330 7.788 -0.458 18443 13655 1 20 . 1 1 110 110 GLU N N 110 119.802 119.802 119.187 0.615 18443 13656 1 20 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.971 -0.010 18443 13657 1 20 . 1 1 110 110 GLU C C 110 179.903 179.903 178.963 0.940 18443 13658 1 20 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.602 0.522 18443 13659 1 20 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.149 -0.377 18443 13660 1 20 . 1 1 110 110 GLU H H 110 8.077 8.077 7.769 0.308 18443 13661 1 20 . 1 1 111 111 LEU N N 111 120.129 120.129 120.596 -0.467 18443 13662 1 20 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.708 -0.176 18443 13663 1 20 . 1 1 111 111 LEU C C 111 179.792 179.792 178.976 0.816 18443 13664 1 20 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.365 0.069 18443 13665 1 20 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.244 1.484 18443 13666 1 20 . 1 1 111 111 LEU H H 111 8.341 8.341 8.269 0.072 18443 13667 1 20 . 1 1 112 112 ARG N N 112 118.350 118.350 119.551 -1.201 18443 13668 1 20 . 1 1 112 112 ARG HA H 112 3.896 3.896 4.043 -0.147 18443 13669 1 20 . 1 1 112 112 ARG C C 112 179.446 179.446 178.555 0.891 18443 13670 1 20 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.349 1.974 18443 13671 1 20 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.647 0.231 18443 13672 1 20 . 1 1 112 112 ARG H H 112 8.166 8.166 8.329 -0.163 18443 13673 1 20 . 1 1 113 113 GLN N N 113 118.358 118.358 118.106 0.252 18443 13674 1 20 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.086 0.007 18443 13675 1 20 . 1 1 113 113 GLN C C 113 179.137 179.137 179.035 0.102 18443 13676 1 20 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.337 0.494 18443 13677 1 20 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.291 0.179 18443 13678 1 20 . 1 1 113 113 GLN H H 113 7.842 7.842 7.778 0.064 18443 13679 1 20 . 1 1 114 114 VAL N N 114 120.174 120.174 120.806 -0.632 18443 13680 1 20 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.519 0.132 18443 13681 1 20 . 1 1 114 114 VAL C C 114 177.853 177.853 177.806 0.047 18443 13682 1 20 . 1 1 114 114 VAL CA C 114 66.063 66.063 65.953 0.111 18443 13683 1 20 . 1 1 114 114 VAL CB C 114 31.239 31.239 31.275 -0.036 18443 13684 1 20 . 1 1 114 114 VAL H H 114 7.947 7.947 7.905 0.042 18443 13685 1 20 . 1 1 115 115 CYS N N 115 117.549 117.549 118.282 -0.733 18443 13686 1 20 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.238 -0.158 18443 13687 1 20 . 1 1 115 115 CYS C C 115 177.204 177.204 177.147 0.057 18443 13688 1 20 . 1 1 115 115 CYS CA C 115 63.574 63.574 63.851 -0.277 18443 13689 1 20 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.447 0.310 18443 13690 1 20 . 1 1 115 115 CYS H H 115 7.801 7.801 7.913 -0.112 18443 13691 1 20 . 1 1 116 116 VAL N N 116 119.053 119.053 120.348 -1.295 18443 13692 1 20 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.581 0.272 18443 13693 1 20 . 1 1 116 116 VAL C C 116 178.840 178.840 177.515 1.325 18443 13694 1 20 . 1 1 116 116 VAL CA C 116 65.442 65.442 67.082 -1.640 18443 13695 1 20 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.424 0.484 18443 13696 1 20 . 1 1 116 116 VAL H H 116 7.465 7.465 8.027 -0.562 18443 13697 1 20 . 1 1 117 117 LYS N N 117 121.003 121.003 119.412 1.591 18443 13698 1 20 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.135 0.041 18443 13699 1 20 . 1 1 117 117 LYS C C 117 178.689 178.689 178.955 -0.266 18443 13700 1 20 . 1 1 117 117 LYS CA C 117 58.555 58.555 58.772 -0.217 18443 13701 1 20 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.752 0.966 18443 13702 1 20 . 1 1 117 117 LYS H H 117 7.915 7.915 7.717 0.198 18443 13703 1 20 . 1 1 118 118 GLY N N 118 106.132 106.132 107.410 -1.278 18443 13704 1 20 . 1 1 118 118 GLY C C 118 174.909 174.909 175.273 -0.364 18443 13705 1 20 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.408 -0.444 18443 13706 1 20 . 1 1 118 118 GLY H H 118 8.472 8.472 7.990 0.482 18443 13707 1 20 . 1 1 119 119 GLY N N 119 107.977 107.977 109.862 -1.885 18443 13708 1 20 . 1 1 119 119 GLY C C 119 174.631 174.631 175.234 -0.603 18443 13709 1 20 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.868 1.098 18443 13710 1 20 . 1 1 119 119 GLY H H 119 7.791 7.791 7.549 0.242 18443 13711 1 20 . 1 1 120 120 ALA N N 120 123.981 123.981 121.747 2.234 18443 13712 1 20 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.502 -0.089 18443 13713 1 20 . 1 1 120 120 ALA C C 120 178.143 178.143 178.283 -0.140 18443 13714 1 20 . 1 1 120 120 ALA CA C 120 52.816 52.816 52.926 -0.110 18443 13715 1 20 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.875 -0.773 18443 13716 1 20 . 1 1 120 120 ALA H H 120 8.171 8.171 7.987 0.184 18443 13717 1 20 . 1 1 121 121 CYS N N 121 117.342 117.342 115.406 1.936 18443 13718 1 20 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.254 0.256 18443 13719 1 20 . 1 1 121 121 CYS C C 121 175.318 175.318 175.281 0.037 18443 13720 1 20 . 1 1 121 121 CYS CA C 121 58.974 58.974 61.313 -2.340 18443 13721 1 20 . 1 1 121 121 CYS CB C 121 28.109 28.109 26.425 1.684 18443 13722 1 20 . 1 1 121 121 CYS H H 121 8.200 8.200 8.339 -0.139 18443 13723 1 20 . 1 1 122 122 GLY N N 122 110.351 110.351 109.343 1.008 18443 13724 1 20 . 1 1 122 122 GLY C C 122 174.299 174.299 175.455 -1.156 18443 13725 1 20 . 1 1 122 122 GLY CA C 122 45.525 45.525 44.952 0.573 18443 13726 1 20 . 1 1 122 122 GLY H H 122 8.367 8.367 8.448 -0.081 18443 13727 1 20 . 1 1 123 123 GLU N N 123 120.589 120.589 121.266 -0.677 18443 13728 1 20 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.275 0.032 18443 13729 1 20 . 1 1 123 123 GLU C C 123 177.296 177.296 177.547 -0.251 18443 13730 1 20 . 1 1 123 123 GLU CA C 123 56.830 56.830 57.362 -0.532 18443 13731 1 20 . 1 1 123 123 GLU CB C 123 30.461 30.461 30.142 0.319 18443 13732 1 20 . 1 1 123 123 GLU H H 123 8.280 8.280 8.345 -0.065 18443 13733 1 20 . 1 1 124 124 GLY N N 124 109.521 109.521 108.308 1.213 18443 13734 1 20 . 1 1 124 124 GLY C C 124 174.189 174.189 173.625 0.564 18443 13735 1 20 . 1 1 124 124 GLY CA C 124 45.540 45.540 44.892 0.647 18443 13736 1 20 . 1 1 124 124 GLY H H 124 8.465 8.465 8.057 0.408 18443 13737 1 20 . 1 1 125 125 HIS N N 125 118.418 118.418 114.929 3.489 18443 13738 1 20 . 1 1 125 125 HIS CA C 125 55.971 55.971 55.565 0.406 18443 13739 1 20 . 1 1 125 125 HIS CB C 125 30.073 30.073 29.800 0.272 18443 13740 1 20 . 1 1 125 125 HIS H H 125 8.244 8.244 8.207 0.037 18443 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 112 2.557 0.447 2.529 18443 2 1 1 "Average Difference" HA 134 0.275 -0.058 0.270 18443 3 1 1 "Average Difference" C 114 1.096 -0.351 1.043 18443 4 1 1 "Average Difference" CA 124 1.157 -0.034 1.162 18443 5 1 1 "Average Difference" CB 113 1.252 -0.528 1.141 18443 6 1 1 "Average Difference" HN 112 0.520 -0.029 0.522 18443 7 1 2 "Average Difference" N 112 2.756 0.497 2.723 18443 8 1 2 "Average Difference" HA 134 0.269 -0.032 0.268 18443 9 1 2 "Average Difference" C 114 1.061 -0.348 1.007 18443 10 1 2 "Average Difference" CA 124 1.034 0.012 1.038 18443 11 1 2 "Average Difference" CB 113 1.212 -0.429 1.139 18443 12 1 2 "Average Difference" HN 112 0.473 0.016 0.475 18443 13 1 3 "Average Difference" N 112 2.651 0.358 2.638 18443 14 1 3 "Average Difference" HA 134 0.247 -0.062 0.241 18443 15 1 3 "Average Difference" C 114 1.016 -0.321 0.969 18443 16 1 3 "Average Difference" CA 124 0.982 -0.145 0.976 18443 17 1 3 "Average Difference" CB 113 1.226 -0.570 1.091 18443 18 1 3 "Average Difference" HN 112 0.503 -0.017 0.504 18443 19 1 4 "Average Difference" N 112 2.796 0.677 2.725 18443 20 1 4 "Average Difference" HA 134 0.296 -0.064 0.291 18443 21 1 4 "Average Difference" C 114 1.047 -0.286 1.012 18443 22 1 4 "Average Difference" CA 124 1.051 -0.014 1.055 18443 23 1 4 "Average Difference" CB 113 1.171 -0.531 1.048 18443 24 1 4 "Average Difference" HN 112 0.503 0.001 0.506 18443 25 1 5 "Average Difference" N 112 2.764 0.549 2.722 18443 26 1 5 "Average Difference" HA 134 0.258 -0.070 0.250 18443 27 1 5 "Average Difference" C 114 1.045 -0.305 1.004 18443 28 1 5 "Average Difference" CA 124 0.947 -0.044 0.949 18443 29 1 5 "Average Difference" CB 113 1.240 -0.597 1.092 18443 30 1 5 "Average Difference" HN 112 0.468 -0.020 0.470 18443 31 1 6 "Average Difference" N 112 2.834 0.732 2.750 18443 32 1 6 "Average Difference" HA 134 0.272 -0.061 0.266 18443 33 1 6 "Average Difference" C 114 1.015 -0.313 0.970 18443 34 1 6 "Average Difference" CA 124 0.985 -0.088 0.986 18443 35 1 6 "Average Difference" CB 113 1.211 -0.524 1.097 18443 36 1 6 "Average Difference" HN 112 0.480 -0.044 0.480 18443 37 1 7 "Average Difference" N 112 2.797 0.378 2.784 18443 38 1 7 "Average Difference" HA 134 0.259 -0.066 0.251 18443 39 1 7 "Average Difference" C 114 1.129 -0.312 1.090 18443 40 1 7 "Average Difference" CA 124 0.983 -0.154 0.974 18443 41 1 7 "Average Difference" CB 113 1.250 -0.560 1.122 18443 42 1 7 "Average Difference" HN 112 0.555 -0.040 0.556 18443 43 1 8 "Average Difference" N 112 2.646 0.522 2.606 18443 44 1 8 "Average Difference" HA 134 0.263 -0.059 0.257 18443 45 1 8 "Average Difference" C 114 1.021 -0.228 1.000 18443 46 1 8 "Average Difference" CA 124 1.025 -0.044 1.028 18443 47 1 8 "Average Difference" CB 113 1.239 -0.581 1.099 18443 48 1 8 "Average Difference" HN 112 0.498 0.012 0.500 18443 49 1 9 "Average Difference" N 112 2.736 0.590 2.684 18443 50 1 9 "Average Difference" HA 134 0.286 -0.055 0.282 18443 51 1 9 "Average Difference" C 114 1.061 -0.313 1.018 18443 52 1 9 "Average Difference" CA 124 1.017 -0.026 1.020 18443 53 1 9 "Average Difference" CB 113 1.203 -0.566 1.066 18443 54 1 9 "Average Difference" HN 112 0.484 0.020 0.486 18443 55 1 10 "Average Difference" N 112 2.812 0.557 2.769 18443 56 1 10 "Average Difference" HA 134 0.259 -0.055 0.254 18443 57 1 10 "Average Difference" C 114 1.157 -0.372 1.101 18443 58 1 10 "Average Difference" CA 124 0.964 -0.075 0.965 18443 59 1 10 "Average Difference" CB 113 1.213 -0.444 1.134 18443 60 1 10 "Average Difference" HN 112 0.521 -0.018 0.523 18443 61 1 11 "Average Difference" N 112 3.017 0.734 2.940 18443 62 1 11 "Average Difference" HA 134 0.287 -0.049 0.284 18443 63 1 11 "Average Difference" C 114 1.073 -0.364 1.014 18443 64 1 11 "Average Difference" CA 124 1.105 -0.145 1.100 18443 65 1 11 "Average Difference" CB 113 1.299 -0.551 1.181 18443 66 1 11 "Average Difference" HN 112 0.525 0.019 0.528 18443 67 1 12 "Average Difference" N 112 2.797 0.487 2.766 18443 68 1 12 "Average Difference" HA 134 0.272 -0.058 0.267 18443 69 1 12 "Average Difference" C 114 1.119 -0.300 1.083 18443 70 1 12 "Average Difference" CA 124 1.057 -0.103 1.056 18443 71 1 12 "Average Difference" CB 113 1.249 -0.521 1.140 18443 72 1 12 "Average Difference" HN 112 0.481 -0.042 0.481 18443 73 1 13 "Average Difference" N 112 2.767 0.493 2.735 18443 74 1 13 "Average Difference" HA 134 0.262 -0.072 0.252 18443 75 1 13 "Average Difference" C 114 1.057 -0.290 1.021 18443 76 1 13 "Average Difference" CA 124 1.049 -0.130 1.046 18443 77 1 13 "Average Difference" CB 113 1.271 -0.604 1.124 18443 78 1 13 "Average Difference" HN 112 0.499 -0.011 0.501 18443 79 1 14 "Average Difference" N 112 2.894 0.392 2.880 18443 80 1 14 "Average Difference" HA 134 0.275 -0.083 0.263 18443 81 1 14 "Average Difference" C 114 1.056 -0.286 1.021 18443 82 1 14 "Average Difference" CA 124 0.917 -0.143 0.909 18443 83 1 14 "Average Difference" CB 113 1.224 -0.556 1.095 18443 84 1 14 "Average Difference" HN 112 0.471 0.014 0.473 18443 85 1 15 "Average Difference" N 112 2.983 0.468 2.959 18443 86 1 15 "Average Difference" HA 134 0.271 -0.093 0.256 18443 87 1 15 "Average Difference" C 114 1.037 -0.261 1.008 18443 88 1 15 "Average Difference" CA 124 1.044 -0.009 1.048 18443 89 1 15 "Average Difference" CB 113 1.271 -0.611 1.120 18443 90 1 15 "Average Difference" HN 112 0.482 -0.047 0.482 18443 91 1 16 "Average Difference" N 112 2.705 0.406 2.686 18443 92 1 16 "Average Difference" HA 134 0.249 -0.040 0.246 18443 93 1 16 "Average Difference" C 114 1.159 -0.379 1.100 18443 94 1 16 "Average Difference" CA 124 0.989 -0.158 0.981 18443 95 1 16 "Average Difference" CB 113 1.254 -0.448 1.176 18443 96 1 16 "Average Difference" HN 112 0.543 -0.024 0.545 18443 97 1 17 "Average Difference" N 112 2.781 0.619 2.724 18443 98 1 17 "Average Difference" HA 134 0.293 -0.059 0.288 18443 99 1 17 "Average Difference" C 114 1.069 -0.301 1.030 18443 100 1 17 "Average Difference" CA 124 1.023 -0.021 1.027 18443 101 1 17 "Average Difference" CB 113 1.272 -0.545 1.155 18443 102 1 17 "Average Difference" HN 112 0.501 0.014 0.503 18443 103 1 18 "Average Difference" N 112 2.942 0.658 2.881 18443 104 1 18 "Average Difference" HA 134 0.279 -0.055 0.274 18443 105 1 18 "Average Difference" C 114 1.107 -0.349 1.055 18443 106 1 18 "Average Difference" CA 124 0.990 -0.121 0.986 18443 107 1 18 "Average Difference" CB 113 1.219 -0.527 1.105 18443 108 1 18 "Average Difference" HN 112 0.511 -0.032 0.512 18443 109 1 19 "Average Difference" N 112 2.729 0.473 2.700 18443 110 1 19 "Average Difference" HA 134 0.262 -0.069 0.253 18443 111 1 19 "Average Difference" C 114 1.094 -0.309 1.054 18443 112 1 19 "Average Difference" CA 124 1.076 -0.028 1.080 18443 113 1 19 "Average Difference" CB 113 1.264 -0.555 1.141 18443 114 1 19 "Average Difference" HN 112 0.509 -0.046 0.509 18443 115 1 20 "Average Difference" N 112 2.803 0.465 2.776 18443 116 1 20 "Average Difference" HA 134 0.273 -0.060 0.267 18443 117 1 20 "Average Difference" C 114 1.094 -0.276 1.063 18443 118 1 20 "Average Difference" CA 124 1.013 -0.076 1.014 18443 119 1 20 "Average Difference" CB 113 1.200 -0.521 1.086 18443 120 1 20 "Average Difference" HN 112 0.473 -0.017 0.475 18443 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 18443 _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 SER HA H 2 4.050 4.050 4.534 -0.484 18443 2 1 . 1 1 2 2 SER CA C 2 57.351 57.351 58.376 -1.025 18443 3 1 . 1 1 2 2 SER CB C 2 63.259 63.259 63.957 -0.698 18443 4 1 . 1 1 3 3 LEU HA H 3 4.302 4.302 4.522 -0.220 18443 5 1 . 1 1 3 3 LEU C C 3 175.706 175.706 176.336 -0.630 18443 6 1 . 1 1 3 3 LEU CA C 3 55.286 55.286 54.964 0.322 18443 7 1 . 1 1 3 3 LEU CB C 3 42.920 42.920 43.723 -0.803 18443 8 1 . 1 1 4 4 ARG N N 4 127.222 127.222 125.228 1.994 18443 9 1 . 1 1 4 4 ARG HA H 4 4.318 4.318 4.382 -0.064 18443 10 1 . 1 1 4 4 ARG C C 4 173.862 173.862 174.725 -0.863 18443 11 1 . 1 1 4 4 ARG CA C 4 54.980 54.980 54.676 0.304 18443 12 1 . 1 1 4 4 ARG CB C 4 31.326 31.326 29.584 1.743 18443 13 1 . 1 1 4 4 ARG H H 4 8.502 8.502 8.624 -0.122 18443 14 1 . 1 1 5 5 TRP N N 5 123.052 123.052 125.971 -2.919 18443 15 1 . 1 1 5 5 TRP HA H 5 5.000 5.000 5.216 -0.216 18443 16 1 . 1 1 5 5 TRP C C 5 176.309 176.309 176.134 0.175 18443 17 1 . 1 1 5 5 TRP CA C 5 54.681 54.681 55.732 -1.051 18443 18 1 . 1 1 5 5 TRP CB C 5 30.890 30.890 30.076 0.814 18443 19 1 . 1 1 5 5 TRP H H 5 8.184 8.184 8.297 -0.114 18443 20 1 . 1 1 6 6 TYR N N 6 120.957 120.957 122.797 -1.841 18443 21 1 . 1 1 6 6 TYR HA H 6 4.979 4.979 5.016 -0.037 18443 22 1 . 1 1 6 6 TYR CA C 6 57.184 57.184 55.876 1.308 18443 23 1 . 1 1 6 6 TYR CB C 6 41.337 41.337 40.869 0.468 18443 24 1 . 1 1 6 6 TYR H H 6 8.818 8.818 9.283 -0.465 18443 25 1 . 1 1 7 7 PRO HA H 7 4.910 4.910 4.657 0.253 18443 26 1 . 1 1 7 7 PRO C C 7 177.869 177.869 177.497 0.372 18443 27 1 . 1 1 7 7 PRO CA C 7 62.578 62.578 62.647 -0.069 18443 28 1 . 1 1 7 7 PRO CB C 7 32.945 32.945 32.691 0.254 18443 29 1 . 1 1 8 8 TYR N N 8 122.256 122.256 123.453 -1.197 18443 30 1 . 1 1 8 8 TYR HA H 8 4.043 4.043 4.048 -0.005 18443 31 1 . 1 1 8 8 TYR CA C 8 64.075 64.075 64.355 -0.280 18443 32 1 . 1 1 8 8 TYR CB C 8 36.854 36.854 36.094 0.760 18443 33 1 . 1 1 8 8 TYR H H 8 9.408 9.408 9.201 0.207 18443 34 1 . 1 1 9 9 PRO HA H 9 4.042 4.042 4.109 -0.067 18443 35 1 . 1 1 9 9 PRO C C 9 180.472 180.472 178.874 1.598 18443 36 1 . 1 1 9 9 PRO CA C 9 66.386 66.386 66.005 0.381 18443 37 1 . 1 1 9 9 PRO CB C 9 30.526 30.526 31.175 -0.649 18443 38 1 . 1 1 10 10 GLU N N 10 118.047 118.047 118.229 -0.182 18443 39 1 . 1 1 10 10 GLU HA H 10 4.054 4.054 4.043 0.011 18443 40 1 . 1 1 10 10 GLU C C 10 178.293 178.293 178.359 -0.066 18443 41 1 . 1 1 10 10 GLU CA C 10 59.030 59.030 59.120 -0.090 18443 42 1 . 1 1 10 10 GLU CB C 10 30.309 30.309 29.201 1.108 18443 43 1 . 1 1 10 10 GLU H H 10 7.093 7.093 8.334 -1.241 18443 44 1 . 1 1 11 11 ALA N N 11 121.740 121.740 122.916 -1.176 18443 45 1 . 1 1 11 11 ALA HA H 11 3.621 3.621 3.993 -0.372 18443 46 1 . 1 1 11 11 ALA C C 11 178.890 178.890 179.586 -0.696 18443 47 1 . 1 1 11 11 ALA CA C 11 54.519 54.519 55.401 -0.882 18443 48 1 . 1 1 11 11 ALA CB C 11 19.045 19.045 18.419 0.626 18443 49 1 . 1 1 11 11 ALA H H 11 8.447 8.447 8.632 -0.185 18443 50 1 . 1 1 12 12 LEU N N 12 115.622 115.622 118.713 -3.091 18443 51 1 . 1 1 12 12 LEU HA H 12 3.451 3.451 3.691 -0.240 18443 52 1 . 1 1 12 12 LEU C C 12 179.331 179.331 179.062 0.269 18443 53 1 . 1 1 12 12 LEU CA C 12 58.523 58.523 57.815 0.708 18443 54 1 . 1 1 12 12 LEU CB C 12 40.445 40.445 40.819 -0.374 18443 55 1 . 1 1 12 12 LEU H H 12 7.354 7.354 7.636 -0.282 18443 56 1 . 1 1 13 13 ALA N N 13 120.240 120.240 122.487 -2.247 18443 57 1 . 1 1 13 13 ALA HA H 13 4.175 4.175 4.167 0.008 18443 58 1 . 1 1 13 13 ALA C C 13 181.630 181.630 179.769 1.861 18443 59 1 . 1 1 13 13 ALA CA C 13 55.325 55.325 55.054 0.271 18443 60 1 . 1 1 13 13 ALA CB C 13 18.155 18.155 18.316 -0.161 18443 61 1 . 1 1 13 13 ALA H H 13 7.201 7.201 7.668 -0.467 18443 62 1 . 1 1 14 14 LEU N N 14 120.757 120.757 120.738 0.019 18443 63 1 . 1 1 14 14 LEU HA H 14 4.087 4.087 3.984 0.103 18443 64 1 . 1 1 14 14 LEU C C 14 179.635 179.635 179.034 0.601 18443 65 1 . 1 1 14 14 LEU CA C 14 57.688 57.688 57.768 -0.080 18443 66 1 . 1 1 14 14 LEU CB C 14 42.792 42.792 41.167 1.625 18443 67 1 . 1 1 14 14 LEU H H 14 8.202 8.202 8.424 -0.222 18443 68 1 . 1 1 15 15 ALA N N 15 121.483 121.483 120.065 1.418 18443 69 1 . 1 1 15 15 ALA HA H 15 3.874 3.874 3.992 -0.118 18443 70 1 . 1 1 15 15 ALA C C 15 180.839 180.839 179.770 1.069 18443 71 1 . 1 1 15 15 ALA CA C 15 56.248 56.248 55.236 1.012 18443 72 1 . 1 1 15 15 ALA CB C 15 19.636 19.636 18.425 1.212 18443 73 1 . 1 1 15 15 ALA H H 15 8.594 8.594 8.041 0.553 18443 74 1 . 1 1 16 16 GLN N N 16 117.131 117.131 120.308 -3.177 18443 75 1 . 1 1 16 16 GLN HA H 16 3.969 3.969 4.066 -0.097 18443 76 1 . 1 1 16 16 GLN C C 16 178.701 178.701 178.252 0.449 18443 77 1 . 1 1 16 16 GLN CA C 16 59.153 59.153 58.694 0.459 18443 78 1 . 1 1 16 16 GLN CB C 16 28.879 28.879 28.720 0.159 18443 79 1 . 1 1 16 16 GLN H H 16 8.609 8.609 8.412 0.197 18443 80 1 . 1 1 17 17 ALA N N 17 120.088 120.088 120.263 -0.175 18443 81 1 . 1 1 17 17 ALA HA H 17 4.119 4.119 4.253 -0.134 18443 82 1 . 1 1 17 17 ALA C C 17 179.305 179.305 178.313 0.992 18443 83 1 . 1 1 17 17 ALA CA C 17 54.619 54.619 53.893 0.726 18443 84 1 . 1 1 17 17 ALA CB C 17 18.263 18.263 18.920 -0.657 18443 85 1 . 1 1 17 17 ALA H H 17 7.635 7.635 8.238 -0.603 18443 86 1 . 1 1 18 18 HIS N N 18 111.636 111.636 114.192 -2.556 18443 87 1 . 1 1 18 18 HIS HA H 18 4.812 4.812 4.680 0.132 18443 88 1 . 1 1 18 18 HIS C C 18 175.021 175.021 175.563 -0.542 18443 89 1 . 1 1 18 18 HIS CA C 18 55.537 55.537 55.615 -0.078 18443 90 1 . 1 1 18 18 HIS CB C 18 31.211 31.211 31.173 0.038 18443 91 1 . 1 1 18 18 HIS H H 18 7.728 7.728 7.598 0.130 18443 92 1 . 1 1 19 19 GLY N N 19 111.899 111.899 108.806 3.093 18443 93 1 . 1 1 19 19 GLY C C 19 175.071 175.071 174.312 0.759 18443 94 1 . 1 1 19 19 GLY CA C 19 47.655 47.655 45.753 1.902 18443 95 1 . 1 1 19 19 GLY H H 19 7.886 7.886 8.124 -0.238 18443 96 1 . 1 1 20 20 ARG N N 20 118.442 118.442 119.057 -0.615 18443 97 1 . 1 1 20 20 ARG HA H 20 4.611 4.611 4.496 0.115 18443 98 1 . 1 1 20 20 ARG C C 20 174.586 174.586 175.310 -0.724 18443 99 1 . 1 1 20 20 ARG CA C 20 54.512 54.512 54.004 0.508 18443 100 1 . 1 1 20 20 ARG CB C 20 34.275 34.275 32.319 1.956 18443 101 1 . 1 1 20 20 ARG H H 20 8.239 8.239 8.123 0.116 18443 102 1 . 1 1 21 21 MET N N 21 115.457 115.457 117.921 -2.464 18443 103 1 . 1 1 21 21 MET HA H 21 4.870 4.870 4.673 0.197 18443 104 1 . 1 1 21 21 MET C C 21 175.707 175.707 175.071 0.636 18443 105 1 . 1 1 21 21 MET CA C 21 56.111 56.111 55.032 1.079 18443 106 1 . 1 1 21 21 MET CB C 21 35.717 35.717 35.531 0.185 18443 107 1 . 1 1 21 21 MET H H 21 7.193 7.193 8.645 -1.451 18443 108 1 . 1 1 22 22 VAL N N 22 119.607 119.607 120.459 -0.852 18443 109 1 . 1 1 22 22 VAL HA H 22 5.310 5.310 4.760 0.550 18443 110 1 . 1 1 22 22 VAL C C 22 176.506 176.506 174.779 1.727 18443 111 1 . 1 1 22 22 VAL CA C 22 60.429 60.429 61.268 -0.839 18443 112 1 . 1 1 22 22 VAL CB C 22 35.658 35.658 33.114 2.544 18443 113 1 . 1 1 22 22 VAL H H 22 9.034 9.034 9.125 -0.091 18443 114 1 . 1 1 23 23 MET N N 23 126.309 126.309 128.789 -2.480 18443 115 1 . 1 1 23 23 MET HA H 23 4.878 4.878 4.902 -0.024 18443 116 1 . 1 1 23 23 MET C C 23 173.960 173.960 174.204 -0.244 18443 117 1 . 1 1 23 23 MET CA C 23 54.184 54.184 53.928 0.256 18443 118 1 . 1 1 23 23 MET CB C 23 36.920 36.920 34.143 2.777 18443 119 1 . 1 1 23 23 MET H H 23 8.704 8.704 9.040 -0.336 18443 120 1 . 1 1 24 24 VAL N N 24 128.959 128.959 128.929 0.030 18443 121 1 . 1 1 24 24 VAL HA H 24 4.338 4.338 4.022 0.316 18443 122 1 . 1 1 24 24 VAL C C 24 174.245 174.245 174.057 0.188 18443 123 1 . 1 1 24 24 VAL CA C 24 61.753 61.753 62.036 -0.283 18443 124 1 . 1 1 24 24 VAL CB C 24 31.821 31.821 31.043 0.778 18443 125 1 . 1 1 24 24 VAL H H 24 9.908 9.908 9.139 0.769 18443 126 1 . 1 1 25 25 TYR N N 25 129.726 129.726 130.594 -0.868 18443 127 1 . 1 1 25 25 TYR HA H 25 5.227 5.227 5.049 0.178 18443 128 1 . 1 1 25 25 TYR C C 25 173.393 173.393 173.751 -0.358 18443 129 1 . 1 1 25 25 TYR CA C 25 53.083 53.083 55.683 -2.600 18443 130 1 . 1 1 25 25 TYR CB C 25 39.518 39.518 39.857 -0.339 18443 131 1 . 1 1 25 25 TYR H H 25 9.031 9.031 8.854 0.177 18443 132 1 . 1 1 26 26 PHE N N 26 126.719 126.719 127.518 -0.799 18443 133 1 . 1 1 26 26 PHE HA H 26 5.095 5.095 4.713 0.382 18443 134 1 . 1 1 26 26 PHE C C 26 174.151 174.151 174.789 -0.638 18443 135 1 . 1 1 26 26 PHE CA C 26 57.438 57.438 57.304 0.134 18443 136 1 . 1 1 26 26 PHE CB C 26 39.624 39.624 39.073 0.551 18443 137 1 . 1 1 26 26 PHE H H 26 9.162 9.162 8.891 0.271 18443 138 1 . 1 1 27 27 HIS N N 27 118.311 118.311 119.910 -1.599 18443 139 1 . 1 1 27 27 HIS HA H 27 5.162 5.162 5.006 0.156 18443 140 1 . 1 1 27 27 HIS C C 27 173.044 173.044 173.750 -0.706 18443 141 1 . 1 1 27 27 HIS CA C 27 53.460 53.460 53.587 -0.127 18443 142 1 . 1 1 27 27 HIS CB C 27 35.088 35.088 32.754 2.334 18443 143 1 . 1 1 27 27 HIS H H 27 8.168 8.168 8.781 -0.613 18443 144 1 . 1 1 28 28 SER N N 28 112.150 112.150 115.543 -3.393 18443 145 1 . 1 1 28 28 SER HA H 28 4.790 4.790 5.050 -0.260 18443 146 1 . 1 1 28 28 SER C C 28 176.815 176.815 174.693 2.122 18443 147 1 . 1 1 28 28 SER CA C 28 56.260 56.260 56.254 0.006 18443 148 1 . 1 1 28 28 SER CB C 28 65.470 65.470 65.942 -0.472 18443 149 1 . 1 1 28 28 SER H H 28 7.545 7.545 8.440 -0.895 18443 150 1 . 1 1 29 29 GLU N N 29 130.603 130.603 123.256 7.347 18443 151 1 . 1 1 29 29 GLU HA H 29 4.100 4.100 4.193 -0.093 18443 152 1 . 1 1 29 29 GLU C C 29 176.980 176.980 176.821 0.159 18443 153 1 . 1 1 29 29 GLU CA C 29 58.670 58.670 58.153 0.517 18443 154 1 . 1 1 29 29 GLU CB C 29 29.639 29.639 29.363 0.276 18443 155 1 . 1 1 29 29 GLU H H 29 9.681 9.681 9.099 0.582 18443 156 1 . 1 1 30 30 HIS N N 30 114.752 114.752 117.166 -2.414 18443 157 1 . 1 1 30 30 HIS HA H 30 4.694 4.694 4.638 0.056 18443 158 1 . 1 1 30 30 HIS C C 30 173.679 173.679 175.194 -1.515 18443 159 1 . 1 1 30 30 HIS CA C 30 54.393 54.393 55.990 -1.597 18443 160 1 . 1 1 30 30 HIS CB C 30 29.372 29.372 29.925 -0.553 18443 161 1 . 1 1 30 30 HIS H H 30 8.226 8.226 7.947 0.279 18443 162 1 . 1 1 31 31 CYS N N 31 124.685 124.685 119.867 4.818 18443 163 1 . 1 1 31 31 CYS HA H 31 4.946 4.946 4.757 0.189 18443 164 1 . 1 1 31 31 CYS C C 31 175.771 175.771 174.163 1.608 18443 165 1 . 1 1 31 31 CYS CA C 31 56.116 56.116 56.167 -0.051 18443 166 1 . 1 1 31 31 CYS CB C 31 31.415 31.415 27.953 3.462 18443 167 1 . 1 1 31 31 CYS H H 31 7.091 7.091 7.751 -0.660 18443 168 1 . 1 1 32 32 PRO HA H 32 4.334 4.334 4.482 -0.148 18443 169 1 . 1 1 32 32 PRO C C 32 179.352 179.352 177.027 2.325 18443 170 1 . 1 1 32 32 PRO CA C 32 64.193 64.193 63.917 0.276 18443 171 1 . 1 1 32 32 PRO CB C 32 32.072 32.072 31.663 0.409 18443 172 1 . 1 1 33 33 TYR N N 33 125.092 125.092 118.903 6.189 18443 173 1 . 1 1 33 33 TYR HA H 33 4.495 4.495 4.422 0.073 18443 174 1 . 1 1 33 33 TYR C C 33 179.457 179.457 177.332 2.125 18443 175 1 . 1 1 33 33 TYR CA C 33 60.880 60.880 60.697 0.183 18443 176 1 . 1 1 33 33 TYR CB C 33 38.345 38.345 38.448 -0.103 18443 177 1 . 1 1 33 33 TYR H H 33 8.621 8.621 8.343 0.278 18443 178 1 . 1 1 34 34 CYS N N 34 127.272 127.272 118.095 9.177 18443 179 1 . 1 1 34 34 CYS HA H 34 4.335 4.335 4.249 0.086 18443 180 1 . 1 1 34 34 CYS C C 34 176.672 176.672 176.228 0.444 18443 181 1 . 1 1 34 34 CYS CA C 34 64.159 64.159 60.911 3.248 18443 182 1 . 1 1 34 34 CYS CB C 34 28.877 28.877 27.524 1.353 18443 183 1 . 1 1 34 34 CYS H H 34 9.440 9.440 8.400 1.040 18443 184 1 . 1 1 35 35 GLN N N 35 118.373 118.373 119.384 -1.011 18443 185 1 . 1 1 35 35 GLN HA H 35 4.059 4.059 3.957 0.102 18443 186 1 . 1 1 35 35 GLN CA C 35 59.374 59.374 58.829 0.545 18443 187 1 . 1 1 35 35 GLN CB C 35 27.576 27.576 27.497 0.079 18443 188 1 . 1 1 35 35 GLN H H 35 7.866 7.866 8.312 -0.446 18443 189 1 . 1 1 36 36 GLN HA H 36 4.246 4.246 4.192 0.054 18443 190 1 . 1 1 36 36 GLN C C 36 178.881 178.881 178.251 0.630 18443 191 1 . 1 1 36 36 GLN CA C 36 59.626 59.626 58.522 1.104 18443 192 1 . 1 1 36 36 GLN CB C 36 28.605 28.605 28.535 0.070 18443 193 1 . 1 1 37 37 MET N N 37 117.759 117.759 119.284 -1.525 18443 194 1 . 1 1 37 37 MET HA H 37 4.488 4.488 4.190 0.298 18443 195 1 . 1 1 37 37 MET C C 37 179.838 179.838 178.153 1.685 18443 196 1 . 1 1 37 37 MET CA C 37 57.229 57.229 58.875 -1.646 18443 197 1 . 1 1 37 37 MET CB C 37 29.983 29.983 32.480 -2.497 18443 198 1 . 1 1 37 37 MET H H 37 8.125 8.125 7.815 0.310 18443 199 1 . 1 1 38 38 ASN N N 38 122.249 122.249 117.651 4.598 18443 200 1 . 1 1 38 38 ASN HA H 38 4.362 4.362 4.415 -0.053 18443 201 1 . 1 1 38 38 ASN C C 38 177.355 177.355 176.957 0.398 18443 202 1 . 1 1 38 38 ASN CA C 38 56.435 56.435 56.444 -0.009 18443 203 1 . 1 1 38 38 ASN CB C 38 37.512 37.512 38.200 -0.688 18443 204 1 . 1 1 38 38 ASN H H 38 9.245 9.245 8.779 0.466 18443 205 1 . 1 1 39 39 THR N N 39 113.554 113.554 115.112 -1.558 18443 206 1 . 1 1 39 39 THR HA H 39 3.853 3.853 3.913 -0.060 18443 207 1 . 1 1 39 39 THR C C 39 176.277 176.277 175.238 1.039 18443 208 1 . 1 1 39 39 THR CA C 39 65.843 65.843 65.780 0.063 18443 209 1 . 1 1 39 39 THR CB C 39 69.595 69.595 68.696 0.899 18443 210 1 . 1 1 39 39 THR H H 39 8.034 8.034 7.477 0.557 18443 211 1 . 1 1 40 40 PHE N N 40 116.394 116.394 118.271 -1.877 18443 212 1 . 1 1 40 40 PHE HA H 40 4.820 4.820 4.473 0.347 18443 213 1 . 1 1 40 40 PHE C C 40 176.255 176.255 177.291 -1.036 18443 214 1 . 1 1 40 40 PHE CA C 40 59.715 59.715 60.971 -1.256 18443 215 1 . 1 1 40 40 PHE CB C 40 40.885 40.885 38.921 1.964 18443 216 1 . 1 1 40 40 PHE H H 40 8.309 8.309 7.713 0.596 18443 217 1 . 1 1 41 41 VAL N N 41 117.246 117.246 118.647 -1.401 18443 218 1 . 1 1 41 41 VAL HA H 41 4.306 4.306 3.726 0.580 18443 219 1 . 1 1 41 41 VAL C C 41 176.704 176.704 177.971 -1.267 18443 220 1 . 1 1 41 41 VAL CA C 41 65.839 65.839 66.159 -0.320 18443 221 1 . 1 1 41 41 VAL CB C 41 33.639 33.639 31.592 2.047 18443 222 1 . 1 1 41 41 VAL H H 41 7.678 7.678 7.726 -0.048 18443 223 1 . 1 1 42 42 LEU N N 42 117.179 117.179 117.644 -0.465 18443 224 1 . 1 1 42 42 LEU HA H 42 3.948 3.948 4.052 -0.104 18443 225 1 . 1 1 42 42 LEU C C 42 175.837 175.837 177.353 -1.516 18443 226 1 . 1 1 42 42 LEU CA C 42 57.296 57.296 56.180 1.116 18443 227 1 . 1 1 42 42 LEU CB C 42 41.115 41.115 42.260 -1.145 18443 228 1 . 1 1 42 42 LEU H H 42 8.882 8.882 8.353 0.529 18443 229 1 . 1 1 43 43 SER N N 43 105.494 105.494 112.156 -6.662 18443 230 1 . 1 1 43 43 SER HA H 43 4.408 4.408 4.414 -0.006 18443 231 1 . 1 1 43 43 SER C C 43 175.397 175.397 174.240 1.157 18443 232 1 . 1 1 43 43 SER CA C 43 57.144 57.144 58.594 -1.450 18443 233 1 . 1 1 43 43 SER CB C 43 64.117 64.117 63.398 0.719 18443 234 1 . 1 1 43 43 SER H H 43 6.785 6.785 7.396 -0.611 18443 235 1 . 1 1 44 44 ASP N N 44 126.617 126.617 124.035 2.582 18443 236 1 . 1 1 44 44 ASP HA H 44 4.811 4.811 4.594 0.217 18443 237 1 . 1 1 44 44 ASP C C 44 175.644 175.644 175.777 -0.133 18443 238 1 . 1 1 44 44 ASP CA C 44 52.673 52.673 53.521 -0.848 18443 239 1 . 1 1 44 44 ASP CB C 44 43.673 43.673 42.192 1.481 18443 240 1 . 1 1 44 44 ASP H H 44 7.443 7.443 7.370 0.073 18443 241 1 . 1 1 45 45 PRO HA H 45 4.352 4.352 4.251 0.101 18443 242 1 . 1 1 45 45 PRO C C 45 178.792 178.792 178.368 0.423 18443 243 1 . 1 1 45 45 PRO CA C 45 65.759 65.759 65.282 0.477 18443 244 1 . 1 1 45 45 PRO CB C 45 32.339 32.339 31.977 0.362 18443 245 1 . 1 1 46 46 GLY N N 46 107.270 107.270 105.674 1.596 18443 246 1 . 1 1 46 46 GLY C C 46 176.799 176.799 176.344 0.455 18443 247 1 . 1 1 46 46 GLY CA C 46 47.028 47.028 46.745 0.283 18443 248 1 . 1 1 46 46 GLY H H 46 8.161 8.161 8.381 -0.220 18443 249 1 . 1 1 47 47 VAL N N 47 124.473 124.473 122.270 2.203 18443 250 1 . 1 1 47 47 VAL HA H 47 3.595 3.595 3.664 -0.069 18443 251 1 . 1 1 47 47 VAL C C 47 177.886 177.886 178.008 -0.122 18443 252 1 . 1 1 47 47 VAL CA C 47 66.500 66.500 66.050 0.449 18443 253 1 . 1 1 47 47 VAL CB C 47 32.425 32.425 31.402 1.022 18443 254 1 . 1 1 47 47 VAL H H 47 8.344 8.344 8.180 0.164 18443 255 1 . 1 1 48 48 SER N N 48 113.807 113.807 115.763 -1.956 18443 256 1 . 1 1 48 48 SER HA H 48 4.053 4.053 4.108 -0.055 18443 257 1 . 1 1 48 48 SER C C 48 176.889 176.889 176.484 0.405 18443 258 1 . 1 1 48 48 SER CA C 48 62.777 62.777 62.080 0.697 18443 259 1 . 1 1 48 48 SER CB C 48 62.884 62.884 62.842 0.042 18443 260 1 . 1 1 48 48 SER H H 48 9.023 9.023 8.693 0.330 18443 261 1 . 1 1 49 49 ARG N N 49 119.875 119.875 121.098 -1.223 18443 262 1 . 1 1 49 49 ARG HA H 49 4.164 4.164 4.129 0.035 18443 263 1 . 1 1 49 49 ARG C C 49 179.398 179.398 178.728 0.670 18443 264 1 . 1 1 49 49 ARG CA C 49 59.558 59.558 59.084 0.474 18443 265 1 . 1 1 49 49 ARG CB C 49 30.247 30.247 29.977 0.270 18443 266 1 . 1 1 49 49 ARG H H 49 8.081 8.081 7.868 0.213 18443 267 1 . 1 1 50 50 LEU N N 50 121.717 121.717 119.828 1.889 18443 268 1 . 1 1 50 50 LEU HA H 50 4.379 4.379 4.083 0.296 18443 269 1 . 1 1 50 50 LEU C C 50 179.482 179.482 178.696 0.786 18443 270 1 . 1 1 50 50 LEU CA C 50 58.206 58.206 57.538 0.668 18443 271 1 . 1 1 50 50 LEU CB C 50 41.835 41.835 41.851 -0.016 18443 272 1 . 1 1 50 50 LEU H H 50 7.291 7.291 7.642 -0.351 18443 273 1 . 1 1 51 51 LEU N N 51 118.677 118.677 118.716 -0.039 18443 274 1 . 1 1 51 51 LEU HA H 51 4.290 4.290 4.049 0.241 18443 275 1 . 1 1 51 51 LEU C C 51 179.233 179.233 179.402 -0.169 18443 276 1 . 1 1 51 51 LEU CA C 51 58.343 58.343 57.228 1.115 18443 277 1 . 1 1 51 51 LEU CB C 51 42.386 42.386 40.602 1.784 18443 278 1 . 1 1 51 51 LEU H H 51 8.358 8.358 7.531 0.827 18443 279 1 . 1 1 52 52 GLU N N 52 116.437 116.437 118.496 -2.059 18443 280 1 . 1 1 52 52 GLU HA H 52 4.168 4.168 3.994 0.174 18443 281 1 . 1 1 52 52 GLU C C 52 178.898 178.898 178.580 0.318 18443 282 1 . 1 1 52 52 GLU CA C 52 58.993 58.993 59.132 -0.139 18443 283 1 . 1 1 52 52 GLU CB C 52 30.205 30.205 29.259 0.946 18443 284 1 . 1 1 52 52 GLU H H 52 8.715 8.715 8.652 0.063 18443 285 1 . 1 1 53 53 ALA N N 53 119.092 119.092 120.148 -1.056 18443 286 1 . 1 1 53 53 ALA HA H 53 4.427 4.427 4.221 0.206 18443 287 1 . 1 1 53 53 ALA C C 53 180.298 180.298 178.155 2.143 18443 288 1 . 1 1 53 53 ALA CA C 53 54.563 54.563 54.676 -0.113 18443 289 1 . 1 1 53 53 ALA CB C 53 20.218 20.218 19.414 0.803 18443 290 1 . 1 1 53 53 ALA H H 53 7.782 7.782 7.755 0.027 18443 291 1 . 1 1 54 54 ARG N N 54 111.562 111.562 112.978 -1.416 18443 292 1 . 1 1 54 54 ARG HA H 54 4.655 4.655 4.485 0.170 18443 293 1 . 1 1 54 54 ARG C C 54 175.560 175.560 174.595 0.965 18443 294 1 . 1 1 54 54 ARG CA C 54 55.031 55.031 55.250 -0.219 18443 295 1 . 1 1 54 54 ARG CB C 54 33.337 33.337 30.419 2.918 18443 296 1 . 1 1 54 54 ARG H H 54 7.740 7.740 7.825 -0.085 18443 297 1 . 1 1 55 55 PHE N N 55 117.038 117.038 120.717 -3.679 18443 298 1 . 1 1 55 55 PHE HA H 55 5.662 5.662 5.493 0.169 18443 299 1 . 1 1 55 55 PHE CA C 55 56.828 56.828 57.070 -0.242 18443 300 1 . 1 1 55 55 PHE CB C 55 43.282 43.282 42.821 0.461 18443 301 1 . 1 1 55 55 PHE H H 55 8.555 8.555 8.459 0.096 18443 302 1 . 1 1 56 56 VAL N N 56 121.038 121.038 122.830 -1.792 18443 303 1 . 1 1 56 56 VAL HA H 56 4.325 4.325 4.347 -0.022 18443 304 1 . 1 1 56 56 VAL C C 56 175.305 175.305 174.939 0.366 18443 305 1 . 1 1 56 56 VAL CA C 56 62.946 62.946 61.403 1.543 18443 306 1 . 1 1 56 56 VAL CB C 56 34.505 34.505 33.018 1.487 18443 307 1 . 1 1 56 56 VAL H H 56 8.817 8.817 9.388 -0.571 18443 308 1 . 1 1 57 57 VAL N N 57 125.781 125.781 128.644 -2.863 18443 309 1 . 1 1 57 57 VAL HA H 57 4.976 4.976 4.357 0.619 18443 310 1 . 1 1 57 57 VAL C C 57 174.535 174.535 174.548 -0.013 18443 311 1 . 1 1 57 57 VAL CA C 57 61.390 61.390 61.208 0.182 18443 312 1 . 1 1 57 57 VAL CB C 57 32.936 32.936 31.686 1.250 18443 313 1 . 1 1 57 57 VAL H H 57 9.498 9.498 8.237 1.261 18443 314 1 . 1 1 58 58 ALA N N 58 128.137 128.137 131.176 -3.039 18443 315 1 . 1 1 58 58 ALA HA H 58 5.621 5.621 5.543 0.078 18443 316 1 . 1 1 58 58 ALA C C 58 175.953 175.953 177.018 -1.065 18443 317 1 . 1 1 58 58 ALA CA C 58 48.764 48.764 49.677 -0.913 18443 318 1 . 1 1 58 58 ALA CB C 58 21.715 21.715 20.629 1.086 18443 319 1 . 1 1 58 58 ALA H H 58 9.062 9.062 9.155 -0.093 18443 320 1 . 1 1 59 59 SER N N 59 117.343 117.343 121.519 -4.176 18443 321 1 . 1 1 59 59 SER HA H 59 4.693 4.693 4.992 -0.299 18443 322 1 . 1 1 59 59 SER C C 59 174.092 174.092 174.139 -0.047 18443 323 1 . 1 1 59 59 SER CA C 59 56.135 56.135 57.709 -1.574 18443 324 1 . 1 1 59 59 SER CB C 59 63.731 63.731 63.188 0.543 18443 325 1 . 1 1 59 59 SER H H 59 8.676 8.676 9.014 -0.338 18443 326 1 . 1 1 60 60 VAL N N 60 129.829 129.829 127.822 2.007 18443 327 1 . 1 1 60 60 VAL HA H 60 3.929 3.929 4.256 -0.327 18443 328 1 . 1 1 60 60 VAL C C 60 172.999 172.999 174.505 -1.506 18443 329 1 . 1 1 60 60 VAL CA C 60 61.522 61.522 61.070 0.452 18443 330 1 . 1 1 60 60 VAL CB C 60 33.335 33.335 33.136 0.199 18443 331 1 . 1 1 60 60 VAL H H 60 8.716 8.716 8.517 0.199 18443 332 1 . 1 1 61 61 SER N N 61 119.457 119.457 122.933 -3.476 18443 333 1 . 1 1 61 61 SER HA H 61 4.211 4.211 4.377 -0.166 18443 334 1 . 1 1 61 61 SER C C 61 178.511 178.511 175.477 3.034 18443 335 1 . 1 1 61 61 SER CA C 61 55.404 55.404 57.030 -1.626 18443 336 1 . 1 1 61 61 SER CB C 61 63.080 63.080 63.714 -0.634 18443 337 1 . 1 1 61 61 SER H H 61 8.250 8.250 8.624 -0.374 18443 338 1 . 1 1 62 62 VAL N N 62 123.331 123.331 125.679 -2.348 18443 339 1 . 1 1 62 62 VAL HA H 62 4.041 4.041 3.851 0.190 18443 340 1 . 1 1 62 62 VAL C C 62 174.434 174.434 175.838 -1.404 18443 341 1 . 1 1 62 62 VAL CA C 62 62.777 62.777 64.077 -1.300 18443 342 1 . 1 1 62 62 VAL CB C 62 29.867 29.867 30.950 -1.083 18443 343 1 . 1 1 62 62 VAL H H 62 8.954 8.954 8.563 0.391 18443 344 1 . 1 1 63 63 ASP N N 63 119.953 119.953 118.007 1.946 18443 345 1 . 1 1 63 63 ASP HA H 63 4.719 4.719 4.599 0.120 18443 346 1 . 1 1 63 63 ASP C C 63 175.930 175.930 176.391 -0.461 18443 347 1 . 1 1 63 63 ASP CA C 63 54.930 54.930 55.383 -0.453 18443 348 1 . 1 1 63 63 ASP CB C 63 41.218 41.218 41.492 -0.274 18443 349 1 . 1 1 63 63 ASP H H 63 7.966 7.966 8.310 -0.344 18443 350 1 . 1 1 64 64 THR N N 64 108.822 108.822 112.109 -3.287 18443 351 1 . 1 1 64 64 THR HA H 64 4.963 4.963 4.785 0.178 18443 352 1 . 1 1 64 64 THR C C 64 173.012 173.012 173.878 -0.866 18443 353 1 . 1 1 64 64 THR CA C 64 58.176 58.176 58.961 -0.785 18443 354 1 . 1 1 64 64 THR CB C 64 70.326 70.326 69.990 0.336 18443 355 1 . 1 1 64 64 THR H H 64 7.315 7.315 7.414 -0.099 18443 356 1 . 1 1 65 65 PRO HA H 65 4.288 4.288 4.203 0.085 18443 357 1 . 1 1 65 65 PRO C C 65 180.307 180.307 178.554 1.753 18443 358 1 . 1 1 65 65 PRO CA C 65 65.841 65.841 66.009 -0.168 18443 359 1 . 1 1 65 65 PRO CB C 65 31.961 31.961 31.606 0.355 18443 360 1 . 1 1 66 66 GLU N N 66 118.398 118.398 118.104 0.294 18443 361 1 . 1 1 66 66 GLU HA H 66 4.161 4.161 4.100 0.061 18443 362 1 . 1 1 66 66 GLU C C 66 179.940 179.940 178.931 1.009 18443 363 1 . 1 1 66 66 GLU CA C 66 59.939 59.939 59.679 0.260 18443 364 1 . 1 1 66 66 GLU CB C 66 28.871 28.871 27.933 0.938 18443 365 1 . 1 1 66 66 GLU H H 66 9.304 9.304 8.856 0.448 18443 366 1 . 1 1 67 67 GLY N N 67 110.592 110.592 108.030 2.562 18443 367 1 . 1 1 67 67 GLY C C 67 176.529 176.529 176.352 0.177 18443 368 1 . 1 1 67 67 GLY CA C 67 46.864 46.864 46.308 0.556 18443 369 1 . 1 1 67 67 GLY H H 67 8.172 8.172 7.915 0.257 18443 370 1 . 1 1 68 68 GLN N N 68 121.948 121.948 121.753 0.195 18443 371 1 . 1 1 68 68 GLN HA H 68 4.013 4.013 3.984 0.029 18443 372 1 . 1 1 68 68 GLN C C 68 179.366 179.366 178.449 0.917 18443 373 1 . 1 1 68 68 GLN CA C 68 59.191 59.191 58.982 0.209 18443 374 1 . 1 1 68 68 GLN CB C 68 27.934 27.934 28.688 -0.754 18443 375 1 . 1 1 68 68 GLN H H 68 8.504 8.504 8.610 -0.106 18443 376 1 . 1 1 69 69 GLU N N 69 120.280 120.280 120.559 -0.279 18443 377 1 . 1 1 69 69 GLU HA H 69 4.170 4.170 4.085 0.085 18443 378 1 . 1 1 69 69 GLU C C 69 179.360 179.360 178.917 0.443 18443 379 1 . 1 1 69 69 GLU CA C 69 59.490 59.490 59.017 0.473 18443 380 1 . 1 1 69 69 GLU CB C 69 28.931 28.931 29.152 -0.221 18443 381 1 . 1 1 69 69 GLU H H 69 7.815 7.815 8.387 -0.572 18443 382 1 . 1 1 70 70 LEU N N 70 121.041 121.041 120.465 0.576 18443 383 1 . 1 1 70 70 LEU HA H 70 4.116 4.116 4.114 0.002 18443 384 1 . 1 1 70 70 LEU C C 70 178.961 178.961 179.023 -0.062 18443 385 1 . 1 1 70 70 LEU CA C 70 58.193 58.193 57.924 0.269 18443 386 1 . 1 1 70 70 LEU CB C 70 42.727 42.727 41.357 1.369 18443 387 1 . 1 1 70 70 LEU H H 70 7.758 7.758 7.857 -0.099 18443 388 1 . 1 1 71 71 ALA N N 71 122.094 122.094 121.918 0.176 18443 389 1 . 1 1 71 71 ALA HA H 71 3.573 3.573 3.930 -0.357 18443 390 1 . 1 1 71 71 ALA C C 71 179.966 179.966 179.436 0.530 18443 391 1 . 1 1 71 71 ALA CA C 71 55.038 55.038 55.270 -0.233 18443 392 1 . 1 1 71 71 ALA CB C 71 17.419 17.419 18.324 -0.904 18443 393 1 . 1 1 71 71 ALA H H 71 8.745 8.745 8.525 0.220 18443 394 1 . 1 1 72 72 ARG N N 72 118.463 118.463 117.517 0.946 18443 395 1 . 1 1 72 72 ARG HA H 72 4.121 4.121 4.071 0.050 18443 396 1 . 1 1 72 72 ARG C C 72 180.905 180.905 178.201 2.704 18443 397 1 . 1 1 72 72 ARG CA C 72 59.524 59.524 58.606 0.918 18443 398 1 . 1 1 72 72 ARG CB C 72 30.302 30.302 29.957 0.345 18443 399 1 . 1 1 72 72 ARG H H 72 7.862 7.862 7.896 -0.034 18443 400 1 . 1 1 73 73 ARG N N 73 122.223 122.223 120.136 2.087 18443 401 1 . 1 1 73 73 ARG HA H 73 3.958 3.958 4.018 -0.060 18443 402 1 . 1 1 73 73 ARG C C 73 178.562 178.562 178.124 0.438 18443 403 1 . 1 1 73 73 ARG CA C 73 59.538 59.538 58.815 0.723 18443 404 1 . 1 1 73 73 ARG CB C 73 30.191 30.191 30.484 -0.293 18443 405 1 . 1 1 73 73 ARG H H 73 8.189 8.189 7.948 0.241 18443 406 1 . 1 1 74 74 TYR N N 74 114.319 114.319 115.869 -1.550 18443 407 1 . 1 1 74 74 TYR HA H 74 4.401 4.401 4.521 -0.120 18443 408 1 . 1 1 74 74 TYR C C 74 174.321 174.321 175.126 -0.805 18443 409 1 . 1 1 74 74 TYR CA C 74 59.784 59.784 58.916 0.868 18443 410 1 . 1 1 74 74 TYR CB C 74 39.264 39.264 39.021 0.243 18443 411 1 . 1 1 74 74 TYR H H 74 8.047 8.047 8.281 -0.234 18443 412 1 . 1 1 75 75 ARG N N 75 119.572 119.572 116.668 2.904 18443 413 1 . 1 1 75 75 ARG HA H 75 3.869 3.869 3.998 -0.129 18443 414 1 . 1 1 75 75 ARG C C 75 175.880 175.880 174.530 1.349 18443 415 1 . 1 1 75 75 ARG CA C 75 56.840 56.840 56.832 0.008 18443 416 1 . 1 1 75 75 ARG CB C 75 26.508 26.508 27.354 -0.846 18443 417 1 . 1 1 75 75 ARG H H 75 7.865 7.865 7.716 0.149 18443 418 1 . 1 1 76 76 VAL N N 76 119.885 119.885 120.764 -0.879 18443 419 1 . 1 1 76 76 VAL HA H 76 3.791 3.791 4.198 -0.407 18443 420 1 . 1 1 76 76 VAL C C 76 176.374 176.374 173.904 2.470 18443 421 1 . 1 1 76 76 VAL CA C 76 60.756 60.756 59.165 1.591 18443 422 1 . 1 1 76 76 VAL CB C 76 31.913 31.913 32.920 -1.007 18443 423 1 . 1 1 76 76 VAL H H 76 8.024 8.024 7.852 0.172 18443 424 1 . 1 1 77 77 PRO HA H 77 4.397 4.397 4.535 -0.138 18443 425 1 . 1 1 77 77 PRO C C 77 175.829 175.829 176.492 -0.663 18443 426 1 . 1 1 77 77 PRO CA C 77 63.462 63.462 62.549 0.913 18443 427 1 . 1 1 77 77 PRO CB C 77 31.757 31.757 32.211 -0.454 18443 428 1 . 1 1 78 78 GLY N N 78 105.453 105.453 108.861 -3.408 18443 429 1 . 1 1 78 78 GLY C C 78 171.794 171.794 173.259 -1.465 18443 430 1 . 1 1 78 78 GLY CA C 78 44.609 44.609 45.123 -0.514 18443 431 1 . 1 1 78 78 GLY H H 78 6.725 6.725 8.468 -1.743 18443 432 1 . 1 1 79 79 THR N N 79 110.056 110.056 114.756 -4.700 18443 433 1 . 1 1 79 79 THR HA H 79 4.886 4.886 4.553 0.333 18443 434 1 . 1 1 79 79 THR CA C 79 57.957 57.957 60.711 -2.754 18443 435 1 . 1 1 79 79 THR CB C 79 70.685 70.685 69.854 0.831 18443 436 1 . 1 1 79 79 THR H H 79 8.771 8.771 7.970 0.801 18443 437 1 . 1 1 80 80 PRO HA H 80 5.079 5.079 4.610 0.469 18443 438 1 . 1 1 80 80 PRO C C 80 176.536 176.536 175.636 0.900 18443 439 1 . 1 1 80 80 PRO CA C 80 62.559 62.559 62.088 0.471 18443 440 1 . 1 1 80 80 PRO CB C 80 35.671 35.671 32.693 2.978 18443 441 1 . 1 1 81 81 THR N N 81 116.755 116.755 117.899 -1.144 18443 442 1 . 1 1 81 81 THR HA H 81 5.425 5.425 5.038 0.386 18443 443 1 . 1 1 81 81 THR C C 81 171.960 171.960 173.121 -1.161 18443 444 1 . 1 1 81 81 THR CA C 81 63.540 63.540 61.685 1.855 18443 445 1 . 1 1 81 81 THR CB C 81 71.840 71.840 71.400 0.440 18443 446 1 . 1 1 81 81 THR H H 81 8.176 8.176 7.826 0.350 18443 447 1 . 1 1 82 82 PHE N N 82 126.263 126.263 126.530 -0.267 18443 448 1 . 1 1 82 82 PHE HA H 82 5.636 5.636 5.222 0.414 18443 449 1 . 1 1 82 82 PHE C C 82 174.738 174.738 174.613 0.125 18443 450 1 . 1 1 82 82 PHE CA C 82 55.770 55.770 56.176 -0.406 18443 451 1 . 1 1 82 82 PHE CB C 82 41.280 41.280 40.507 0.773 18443 452 1 . 1 1 82 82 PHE H H 82 9.540 9.540 9.364 0.175 18443 453 1 . 1 1 83 83 VAL N N 83 123.703 123.703 123.201 0.502 18443 454 1 . 1 1 83 83 VAL HA H 83 4.541 4.541 4.696 -0.155 18443 455 1 . 1 1 83 83 VAL C C 83 174.159 174.159 174.701 -0.542 18443 456 1 . 1 1 83 83 VAL CA C 83 62.029 62.029 61.319 0.710 18443 457 1 . 1 1 83 83 VAL CB C 83 35.107 35.107 33.466 1.641 18443 458 1 . 1 1 83 83 VAL H H 83 9.208 9.208 8.979 0.229 18443 459 1 . 1 1 84 84 PHE N N 84 126.003 126.003 127.387 -1.384 18443 460 1 . 1 1 84 84 PHE HA H 84 5.810 5.810 5.441 0.369 18443 461 1 . 1 1 84 84 PHE C C 84 175.481 175.481 175.111 0.370 18443 462 1 . 1 1 84 84 PHE CA C 84 57.253 57.253 56.699 0.554 18443 463 1 . 1 1 84 84 PHE CB C 84 41.812 41.812 40.344 1.468 18443 464 1 . 1 1 84 84 PHE H H 84 8.878 8.878 9.044 -0.166 18443 465 1 . 1 1 85 85 LEU N N 85 123.597 123.597 123.867 -0.270 18443 466 1 . 1 1 85 85 LEU HA H 85 5.894 5.894 5.657 0.237 18443 467 1 . 1 1 85 85 LEU C C 85 176.528 176.528 176.257 0.271 18443 468 1 . 1 1 85 85 LEU CA C 85 53.370 53.370 53.590 -0.220 18443 469 1 . 1 1 85 85 LEU CB C 85 48.199 48.199 44.679 3.520 18443 470 1 . 1 1 85 85 LEU H H 85 9.604 9.604 9.328 0.276 18443 471 1 . 1 1 86 86 VAL N N 86 118.274 118.274 123.220 -4.947 18443 472 1 . 1 1 86 86 VAL HA H 86 5.218 5.218 4.662 0.556 18443 473 1 . 1 1 86 86 VAL CA C 86 57.561 57.561 59.073 -1.512 18443 474 1 . 1 1 86 86 VAL CB C 86 35.493 35.493 33.550 1.943 18443 475 1 . 1 1 86 86 VAL H H 86 9.457 9.457 9.240 0.217 18443 476 1 . 1 1 87 87 PRO HA H 87 3.948 3.948 4.470 -0.522 18443 477 1 . 1 1 87 87 PRO C C 87 177.132 177.132 175.803 1.329 18443 478 1 . 1 1 87 87 PRO CA C 87 62.363 62.363 61.904 0.459 18443 479 1 . 1 1 87 87 PRO CB C 87 30.658 30.658 30.907 -0.249 18443 480 1 . 1 1 88 88 LYS N N 88 124.554 124.554 123.535 1.019 18443 481 1 . 1 1 88 88 LYS HA H 88 4.279 4.279 4.458 -0.180 18443 482 1 . 1 1 88 88 LYS C C 88 175.739 175.739 176.108 -0.369 18443 483 1 . 1 1 88 88 LYS CA C 88 55.650 55.650 55.424 0.226 18443 484 1 . 1 1 88 88 LYS CB C 88 34.698 34.698 34.415 0.284 18443 485 1 . 1 1 88 88 LYS H H 88 8.119 8.119 8.490 -0.371 18443 486 1 . 1 1 89 89 ALA N N 89 130.786 130.786 127.327 3.459 18443 487 1 . 1 1 89 89 ALA HA H 89 3.970 3.970 3.961 0.009 18443 488 1 . 1 1 89 89 ALA C C 89 176.947 176.947 177.467 -0.520 18443 489 1 . 1 1 89 89 ALA CA C 89 53.190 53.190 53.645 -0.455 18443 490 1 . 1 1 89 89 ALA CB C 89 17.379 17.379 17.551 -0.172 18443 491 1 . 1 1 89 89 ALA H H 89 9.128 9.128 8.901 0.227 18443 492 1 . 1 1 90 90 GLY N N 90 106.698 106.698 106.146 0.552 18443 493 1 . 1 1 90 90 GLY C C 90 173.352 173.352 173.119 0.232 18443 494 1 . 1 1 90 90 GLY CA C 90 45.586 45.586 45.037 0.549 18443 495 1 . 1 1 90 90 GLY H H 90 8.393 8.393 8.233 0.160 18443 496 1 . 1 1 91 91 ALA N N 91 125.038 125.038 122.252 2.786 18443 497 1 . 1 1 91 91 ALA HA H 91 4.577 4.577 4.613 -0.036 18443 498 1 . 1 1 91 91 ALA C C 91 175.940 175.940 174.521 1.419 18443 499 1 . 1 1 91 91 ALA CA C 91 50.462 50.462 51.006 -0.544 18443 500 1 . 1 1 91 91 ALA CB C 91 20.652 20.652 20.813 -0.161 18443 501 1 . 1 1 91 91 ALA H H 91 7.788 7.788 7.611 0.177 18443 502 1 . 1 1 92 92 TRP N N 92 120.760 120.760 119.287 1.473 18443 503 1 . 1 1 92 92 TRP HA H 92 5.140 5.140 5.289 -0.149 18443 504 1 . 1 1 92 92 TRP C C 92 175.960 175.960 176.401 -0.441 18443 505 1 . 1 1 92 92 TRP CA C 92 56.851 56.851 56.337 0.514 18443 506 1 . 1 1 92 92 TRP CB C 92 32.673 32.673 31.345 1.328 18443 507 1 . 1 1 92 92 TRP H H 92 8.235 8.235 8.410 -0.175 18443 508 1 . 1 1 93 93 GLU N N 93 124.341 124.341 123.521 0.820 18443 509 1 . 1 1 93 93 GLU HA H 93 4.861 4.861 4.726 0.135 18443 510 1 . 1 1 93 93 GLU C C 93 175.515 175.515 175.361 0.154 18443 511 1 . 1 1 93 93 GLU CA C 93 54.779 54.779 54.794 -0.015 18443 512 1 . 1 1 93 93 GLU CB C 93 33.192 33.192 33.045 0.147 18443 513 1 . 1 1 93 93 GLU H H 93 9.264 9.264 9.020 0.244 18443 514 1 . 1 1 94 94 GLU N N 94 126.987 126.987 128.684 -1.697 18443 515 1 . 1 1 94 94 GLU HA H 94 5.197 5.197 4.664 0.533 18443 516 1 . 1 1 94 94 GLU C C 94 177.604 177.604 176.447 1.157 18443 517 1 . 1 1 94 94 GLU CA C 94 56.604 56.604 56.740 -0.136 18443 518 1 . 1 1 94 94 GLU CB C 94 30.078 30.078 29.660 0.418 18443 519 1 . 1 1 94 94 GLU H H 94 9.123 9.123 9.118 0.005 18443 520 1 . 1 1 95 95 VAL N N 95 122.004 122.004 125.365 -3.361 18443 521 1 . 1 1 95 95 VAL HA H 95 4.692 4.692 4.317 0.375 18443 522 1 . 1 1 95 95 VAL C C 95 175.719 175.719 174.847 0.872 18443 523 1 . 1 1 95 95 VAL CA C 95 61.335 61.335 61.780 -0.445 18443 524 1 . 1 1 95 95 VAL CB C 95 33.265 33.265 32.796 0.469 18443 525 1 . 1 1 95 95 VAL H H 95 9.099 9.099 8.827 0.272 18443 526 1 . 1 1 96 96 GLY N N 96 107.961 107.961 107.033 0.928 18443 527 1 . 1 1 96 96 GLY C C 96 171.052 171.052 171.750 -0.698 18443 528 1 . 1 1 96 96 GLY CA C 96 46.112 46.112 45.285 0.827 18443 529 1 . 1 1 96 96 GLY H H 96 7.754 7.754 7.531 0.223 18443 530 1 . 1 1 97 97 ARG N N 97 117.467 117.467 123.267 -5.800 18443 531 1 . 1 1 97 97 ARG HA H 97 5.677 5.677 5.566 0.111 18443 532 1 . 1 1 97 97 ARG C C 97 174.403 174.403 175.346 -0.943 18443 533 1 . 1 1 97 97 ARG CA C 97 55.626 55.626 54.910 0.716 18443 534 1 . 1 1 97 97 ARG CB C 97 34.313 34.313 33.050 1.263 18443 535 1 . 1 1 97 97 ARG H H 97 8.489 8.489 8.461 0.028 18443 536 1 . 1 1 98 98 LEU N N 98 122.922 122.922 125.550 -2.628 18443 537 1 . 1 1 98 98 LEU HA H 98 4.925 4.925 4.930 -0.005 18443 538 1 . 1 1 98 98 LEU C C 98 174.871 174.871 175.119 -0.248 18443 539 1 . 1 1 98 98 LEU CA C 98 53.971 53.971 54.152 -0.181 18443 540 1 . 1 1 98 98 LEU CB C 98 46.542 46.542 45.416 1.126 18443 541 1 . 1 1 98 98 LEU H H 98 9.504 9.504 9.255 0.249 18443 542 1 . 1 1 99 99 PHE N N 99 124.212 124.212 123.518 0.694 18443 543 1 . 1 1 99 99 PHE HA H 99 5.648 5.648 5.514 0.134 18443 544 1 . 1 1 99 99 PHE CA C 99 55.751 55.751 56.808 -1.057 18443 545 1 . 1 1 99 99 PHE CB C 99 41.232 41.232 42.177 -0.945 18443 546 1 . 1 1 99 99 PHE H H 99 9.146 9.146 8.797 0.349 18443 547 1 . 1 1 100 100 GLY N N 100 116.438 116.438 114.639 1.799 18443 548 1 . 1 1 100 100 GLY C C 100 173.343 173.343 172.943 0.400 18443 549 1 . 1 1 100 100 GLY CA C 100 43.436 43.436 44.576 -1.140 18443 550 1 . 1 1 100 100 GLY H H 100 8.464 8.464 7.727 0.737 18443 551 1 . 1 1 101 101 SER N N 101 112.597 112.597 116.454 -3.857 18443 552 1 . 1 1 101 101 SER HA H 101 4.616 4.616 4.589 0.027 18443 553 1 . 1 1 101 101 SER C C 101 175.075 175.075 174.271 0.804 18443 554 1 . 1 1 101 101 SER CA C 101 58.288 58.288 58.691 -0.403 18443 555 1 . 1 1 101 101 SER CB C 101 64.305 64.305 63.717 0.588 18443 556 1 . 1 1 101 101 SER H H 101 8.366 8.366 8.374 -0.008 18443 557 1 . 1 1 102 102 ARG N N 102 119.662 119.662 124.485 -4.823 18443 558 1 . 1 1 102 102 ARG HA H 102 4.931 4.931 4.711 0.220 18443 559 1 . 1 1 102 102 ARG CA C 102 52.820 52.820 53.370 -0.550 18443 560 1 . 1 1 102 102 ARG CB C 102 31.442 31.442 30.160 1.282 18443 561 1 . 1 1 102 102 ARG H H 102 7.767 7.767 8.237 -0.470 18443 562 1 . 1 1 103 103 PRO HA H 103 4.551 4.551 4.515 0.036 18443 563 1 . 1 1 103 103 PRO C C 103 177.345 177.345 177.623 -0.278 18443 564 1 . 1 1 103 103 PRO CA C 103 62.076 62.076 62.479 -0.403 18443 565 1 . 1 1 103 103 PRO CB C 103 32.868 32.868 32.601 0.267 18443 566 1 . 1 1 104 104 ARG N N 104 121.205 121.205 122.474 -1.269 18443 567 1 . 1 1 104 104 ARG HA H 104 3.932 3.932 3.955 -0.023 18443 568 1 . 1 1 104 104 ARG C C 104 177.368 177.368 178.134 -0.766 18443 569 1 . 1 1 104 104 ARG CA C 104 60.911 60.911 59.789 1.122 18443 570 1 . 1 1 104 104 ARG CB C 104 30.164 30.164 29.671 0.493 18443 571 1 . 1 1 104 104 ARG H H 104 8.986 8.986 8.822 0.164 18443 572 1 . 1 1 105 105 ALA N N 105 119.508 119.508 120.857 -1.349 18443 573 1 . 1 1 105 105 ALA HA H 105 4.109 4.109 4.176 -0.067 18443 574 1 . 1 1 105 105 ALA C C 105 181.065 181.065 179.919 1.146 18443 575 1 . 1 1 105 105 ALA CA C 105 55.745 55.745 54.910 0.835 18443 576 1 . 1 1 105 105 ALA CB C 105 18.296 18.296 17.964 0.332 18443 577 1 . 1 1 105 105 ALA H H 105 9.033 9.033 8.524 0.509 18443 578 1 . 1 1 106 106 GLU N N 106 117.537 117.537 119.271 -1.734 18443 579 1 . 1 1 106 106 GLU HA H 106 4.129 4.129 4.123 0.006 18443 580 1 . 1 1 106 106 GLU C C 106 178.041 178.041 178.709 -0.668 18443 581 1 . 1 1 106 106 GLU CA C 106 58.793 58.793 58.711 0.082 18443 582 1 . 1 1 106 106 GLU CB C 106 30.234 30.234 29.471 0.763 18443 583 1 . 1 1 106 106 GLU H H 106 7.201 7.201 7.814 -0.613 18443 584 1 . 1 1 107 107 PHE N N 107 120.721 120.721 121.688 -0.967 18443 585 1 . 1 1 107 107 PHE HA H 107 4.184 4.184 4.142 0.042 18443 586 1 . 1 1 107 107 PHE C C 107 177.235 177.235 177.350 -0.115 18443 587 1 . 1 1 107 107 PHE CA C 107 61.743 61.743 61.874 -0.131 18443 588 1 . 1 1 107 107 PHE CB C 107 40.083 40.083 39.261 0.822 18443 589 1 . 1 1 107 107 PHE H H 107 8.555 8.555 8.455 0.100 18443 590 1 . 1 1 108 108 LEU N N 108 117.219 117.219 118.824 -1.605 18443 591 1 . 1 1 108 108 LEU HA H 108 3.831 3.831 3.799 0.032 18443 592 1 . 1 1 108 108 LEU C C 108 178.406 178.406 178.744 -0.338 18443 593 1 . 1 1 108 108 LEU CA C 108 58.484 58.484 57.801 0.683 18443 594 1 . 1 1 108 108 LEU CB C 108 42.152 42.152 41.383 0.769 18443 595 1 . 1 1 108 108 LEU H H 108 8.364 8.364 8.745 -0.381 18443 596 1 . 1 1 109 109 LYS N N 109 118.680 118.680 120.126 -1.446 18443 597 1 . 1 1 109 109 LYS HA H 109 3.901 3.901 3.864 0.037 18443 598 1 . 1 1 109 109 LYS C C 109 179.696 179.696 178.847 0.849 18443 599 1 . 1 1 109 109 LYS CA C 109 60.182 60.182 59.881 0.301 18443 600 1 . 1 1 109 109 LYS CB C 109 32.266 32.266 32.140 0.126 18443 601 1 . 1 1 109 109 LYS H H 109 7.330 7.330 7.733 -0.403 18443 602 1 . 1 1 110 110 GLU N N 110 119.802 119.802 119.226 0.576 18443 603 1 . 1 1 110 110 GLU HA H 110 3.961 3.961 3.977 -0.016 18443 604 1 . 1 1 110 110 GLU C C 110 179.903 179.903 178.784 1.119 18443 605 1 . 1 1 110 110 GLU CA C 110 59.124 59.124 58.728 0.396 18443 606 1 . 1 1 110 110 GLU CB C 110 28.772 28.772 29.253 -0.481 18443 607 1 . 1 1 110 110 GLU H H 110 8.077 8.077 7.861 0.216 18443 608 1 . 1 1 111 111 LEU N N 111 120.129 120.129 120.697 -0.568 18443 609 1 . 1 1 111 111 LEU HA H 111 3.532 3.532 3.540 -0.008 18443 610 1 . 1 1 111 111 LEU C C 111 179.792 179.792 178.655 1.137 18443 611 1 . 1 1 111 111 LEU CA C 111 57.434 57.434 57.520 -0.086 18443 612 1 . 1 1 111 111 LEU CB C 111 42.728 42.728 41.375 1.353 18443 613 1 . 1 1 111 111 LEU H H 111 8.341 8.341 8.266 0.075 18443 614 1 . 1 1 112 112 ARG N N 112 118.350 118.350 119.118 -0.768 18443 615 1 . 1 1 112 112 ARG HA H 112 3.896 3.896 3.987 -0.091 18443 616 1 . 1 1 112 112 ARG C C 112 179.446 179.446 178.779 0.667 18443 617 1 . 1 1 112 112 ARG CA C 112 60.323 60.323 58.702 1.621 18443 618 1 . 1 1 112 112 ARG CB C 112 29.878 29.878 29.567 0.311 18443 619 1 . 1 1 112 112 ARG H H 112 8.166 8.166 8.108 0.058 18443 620 1 . 1 1 113 113 GLN N N 113 118.358 118.358 118.881 -0.523 18443 621 1 . 1 1 113 113 GLN HA H 113 4.093 4.093 4.056 0.037 18443 622 1 . 1 1 113 113 GLN C C 113 179.137 179.137 178.544 0.593 18443 623 1 . 1 1 113 113 GLN CA C 113 58.831 58.831 58.697 0.134 18443 624 1 . 1 1 113 113 GLN CB C 113 28.470 28.470 28.434 0.036 18443 625 1 . 1 1 113 113 GLN H H 113 7.842 7.842 7.740 0.102 18443 626 1 . 1 1 114 114 VAL N N 114 120.174 120.174 120.416 -0.242 18443 627 1 . 1 1 114 114 VAL HA H 114 3.651 3.651 3.631 0.020 18443 628 1 . 1 1 114 114 VAL C C 114 177.853 177.853 177.958 -0.105 18443 629 1 . 1 1 114 114 VAL CA C 114 66.063 66.063 66.231 -0.167 18443 630 1 . 1 1 114 114 VAL CB C 114 31.239 31.239 30.963 0.277 18443 631 1 . 1 1 114 114 VAL H H 114 7.947 7.947 8.217 -0.270 18443 632 1 . 1 1 115 115 CYS N N 115 117.549 117.549 117.584 -0.035 18443 633 1 . 1 1 115 115 CYS HA H 115 4.080 4.080 4.289 -0.209 18443 634 1 . 1 1 115 115 CYS C C 115 177.204 177.204 176.856 0.348 18443 635 1 . 1 1 115 115 CYS CA C 115 63.574 63.574 62.682 0.892 18443 636 1 . 1 1 115 115 CYS CB C 115 26.757 26.757 26.492 0.265 18443 637 1 . 1 1 115 115 CYS H H 115 7.801 7.801 8.050 -0.249 18443 638 1 . 1 1 116 116 VAL N N 116 119.053 119.053 120.187 -1.134 18443 639 1 . 1 1 116 116 VAL HA H 116 3.853 3.853 3.732 0.121 18443 640 1 . 1 1 116 116 VAL C C 116 178.840 178.840 177.728 1.112 18443 641 1 . 1 1 116 116 VAL CA C 116 65.442 65.442 66.063 -0.621 18443 642 1 . 1 1 116 116 VAL CB C 116 31.908 31.908 31.622 0.286 18443 643 1 . 1 1 116 116 VAL H H 116 7.465 7.465 7.583 -0.118 18443 644 1 . 1 1 117 117 LYS N N 117 121.003 121.003 119.878 1.125 18443 645 1 . 1 1 117 117 LYS HA H 117 4.176 4.176 4.179 -0.003 18443 646 1 . 1 1 117 117 LYS C C 117 178.689 178.689 178.941 -0.252 18443 647 1 . 1 1 117 117 LYS CA C 117 58.555 58.555 59.020 -0.465 18443 648 1 . 1 1 117 117 LYS CB C 117 32.718 32.718 31.919 0.799 18443 649 1 . 1 1 117 117 LYS H H 117 7.915 7.915 8.045 -0.130 18443 650 1 . 1 1 118 118 GLY N N 118 106.132 106.132 105.993 0.139 18443 651 1 . 1 1 118 118 GLY C C 118 174.909 174.909 175.254 -0.345 18443 652 1 . 1 1 118 118 GLY CA C 118 45.964 45.964 46.349 -0.385 18443 653 1 . 1 1 118 118 GLY H H 118 8.472 8.472 7.953 0.519 18443 654 1 . 1 1 119 119 GLY N N 119 107.977 107.977 108.344 -0.367 18443 655 1 . 1 1 119 119 GLY C C 119 174.631 174.631 173.938 0.693 18443 656 1 . 1 1 119 119 GLY CA C 119 45.966 45.966 44.904 1.061 18443 657 1 . 1 1 119 119 GLY H H 119 7.791 7.791 7.658 0.133 18443 658 1 . 1 1 120 120 ALA N N 120 123.981 123.981 122.964 1.017 18443 659 1 . 1 1 120 120 ALA HA H 120 4.413 4.413 4.644 -0.231 18443 660 1 . 1 1 120 120 ALA C C 120 178.143 178.143 176.744 1.399 18443 661 1 . 1 1 120 120 ALA CA C 120 52.816 52.816 51.672 1.145 18443 662 1 . 1 1 120 120 ALA CB C 120 19.102 19.102 19.061 0.041 18443 663 1 . 1 1 120 120 ALA H H 120 8.171 8.171 7.973 0.198 18443 664 1 . 1 1 121 121 CYS N N 121 117.342 117.342 119.093 -1.751 18443 665 1 . 1 1 121 121 CYS HA H 121 4.510 4.510 4.404 0.106 18443 666 1 . 1 1 121 121 CYS C C 121 175.318 175.318 175.252 0.066 18443 667 1 . 1 1 121 121 CYS CA C 121 58.974 58.974 59.573 -0.599 18443 668 1 . 1 1 121 121 CYS CB C 121 28.109 28.109 27.442 0.668 18443 669 1 . 1 1 121 121 CYS H H 121 8.200 8.200 8.397 -0.197 18443 670 1 . 1 1 122 122 GLY N N 122 110.351 110.351 110.390 -0.039 18443 671 1 . 1 1 122 122 GLY C C 122 174.299 174.299 174.016 0.283 18443 672 1 . 1 1 122 122 GLY CA C 122 45.525 45.525 45.292 0.233 18443 673 1 . 1 1 122 122 GLY H H 122 8.367 8.367 8.257 0.110 18443 674 1 . 1 1 123 123 GLU N N 123 120.589 120.589 120.859 -0.270 18443 675 1 . 1 1 123 123 GLU HA H 123 4.307 4.307 4.315 -0.008 18443 676 1 . 1 1 123 123 GLU C C 123 177.296 177.296 177.113 0.183 18443 677 1 . 1 1 123 123 GLU CA C 123 56.830 56.830 56.472 0.358 18443 678 1 . 1 1 123 123 GLU CB C 123 30.461 30.461 29.775 0.686 18443 679 1 . 1 1 123 123 GLU H H 123 8.280 8.280 8.078 0.202 18443 680 1 . 1 1 124 124 GLY N N 124 109.521 109.521 109.465 0.056 18443 681 1 . 1 1 124 124 GLY C C 124 174.189 174.189 174.491 -0.302 18443 682 1 . 1 1 124 124 GLY CA C 124 45.540 45.540 45.286 0.254 18443 683 1 . 1 1 124 124 GLY H H 124 8.465 8.465 8.412 0.053 18443 684 1 . 1 1 125 125 HIS N N 125 118.418 118.418 118.807 -0.389 18443 685 1 . 1 1 125 125 HIS CA C 125 55.971 55.971 56.413 -0.442 18443 686 1 . 1 1 125 125 HIS CB C 125 30.073 30.073 29.849 0.224 18443 687 1 . 1 1 125 125 HIS H H 125 8.244 8.244 8.050 0.194 18443 stop_ save_