data_18229 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18229 _Entry.PDB_ID 2LOX 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 18229 _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 N N 2 113.055 113.055 114.939 -1.884 18229 2 1 1 . 1 1 2 2 SER HA H 2 4.418 4.418 4.154 0.264 18229 3 1 1 . 1 1 2 2 SER C C 2 174.994 174.994 174.811 0.183 18229 4 1 1 . 1 1 2 2 SER CA C 2 58.540 58.540 61.102 -2.562 18229 5 1 1 . 1 1 2 2 SER CB C 2 63.748 63.748 63.009 0.739 18229 6 1 1 . 1 1 2 2 SER H H 2 8.061 8.061 8.452 -0.391 18229 7 1 1 . 1 1 3 3 HIS N N 3 119.062 119.062 116.903 2.159 18229 8 1 1 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.540 0.195 18229 9 1 1 . 1 1 3 3 HIS C C 3 173.417 173.417 174.011 -0.594 18229 10 1 1 . 1 1 3 3 HIS CA C 3 55.304 55.304 56.027 -0.723 18229 11 1 1 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.291 0.256 18229 12 1 1 . 1 1 3 3 HIS H H 3 8.410 8.410 8.191 0.219 18229 13 1 1 . 1 1 4 4 SER N N 4 113.520 113.520 113.321 0.199 18229 14 1 1 . 1 1 4 4 SER HA H 4 5.516 5.516 5.188 0.328 18229 15 1 1 . 1 1 4 4 SER C C 4 173.602 173.602 172.860 0.742 18229 16 1 1 . 1 1 4 4 SER CA C 4 57.005 57.005 57.514 -0.509 18229 17 1 1 . 1 1 4 4 SER CB C 4 65.989 65.989 66.549 -0.560 18229 18 1 1 . 1 1 4 4 SER H H 4 7.817 7.817 7.661 0.156 18229 19 1 1 . 1 1 5 5 GLY N N 5 106.959 106.959 105.941 1.018 18229 20 1 1 . 1 1 5 5 GLY C C 5 171.058 171.058 172.095 -1.037 18229 21 1 1 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.772 -0.301 18229 22 1 1 . 1 1 5 5 GLY H H 5 8.356 8.356 8.757 -0.401 18229 23 1 1 . 1 1 6 6 ALA N N 6 125.264 125.264 124.205 1.059 18229 24 1 1 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.571 0.390 18229 25 1 1 . 1 1 6 6 ALA C C 6 176.831 176.831 175.690 1.141 18229 26 1 1 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.777 0.968 18229 27 1 1 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.139 -0.759 18229 28 1 1 . 1 1 6 6 ALA H H 6 8.641 8.641 8.581 0.060 18229 29 1 1 . 1 1 7 7 ALA N N 7 119.937 119.937 122.414 -2.477 18229 30 1 1 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.372 0.283 18229 31 1 1 . 1 1 7 7 ALA C C 7 176.683 176.683 175.393 1.290 18229 32 1 1 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.526 1.219 18229 33 1 1 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.907 2.130 18229 34 1 1 . 1 1 7 7 ALA H H 7 8.370 8.370 7.975 0.395 18229 35 1 1 . 1 1 8 8 ILE N N 8 125.430 125.430 119.631 5.799 18229 36 1 1 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.242 -0.247 18229 37 1 1 . 1 1 8 8 ILE C C 8 175.310 175.310 174.980 0.330 18229 38 1 1 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.283 1.669 18229 39 1 1 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.100 1.587 18229 40 1 1 . 1 1 8 8 ILE H H 8 9.349 9.349 8.338 1.011 18229 41 1 1 . 1 1 9 9 PHE N N 9 128.906 128.906 128.287 0.619 18229 42 1 1 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.538 -0.246 18229 43 1 1 . 1 1 9 9 PHE C C 9 173.925 173.925 174.695 -0.770 18229 44 1 1 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.271 1.000 18229 45 1 1 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.596 -0.029 18229 46 1 1 . 1 1 9 9 PHE H H 9 8.450 8.450 8.608 -0.158 18229 47 1 1 . 1 1 10 10 GLU N N 10 126.509 126.509 126.275 0.234 18229 48 1 1 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.800 -0.596 18229 49 1 1 . 1 1 10 10 GLU C C 10 175.157 175.157 175.224 -0.067 18229 50 1 1 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.226 -0.447 18229 51 1 1 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.730 -1.281 18229 52 1 1 . 1 1 10 10 GLU H H 10 8.749 8.749 8.598 0.151 18229 53 1 1 . 1 1 11 11 LYS N N 11 105.729 105.729 112.743 -7.014 18229 54 1 1 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.966 -0.563 18229 55 1 1 . 1 1 11 11 LYS C C 11 175.543 175.543 175.577 -0.034 18229 56 1 1 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.346 1.208 18229 57 1 1 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.573 -1.396 18229 58 1 1 . 1 1 11 11 LYS H H 11 7.931 7.931 8.354 -0.423 18229 59 1 1 . 1 1 12 12 VAL N N 12 123.753 123.753 120.609 3.144 18229 60 1 1 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.382 0.035 18229 61 1 1 . 1 1 12 12 VAL C C 12 175.120 175.120 175.567 -0.447 18229 62 1 1 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.418 0.354 18229 63 1 1 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.749 -0.469 18229 64 1 1 . 1 1 12 12 VAL H H 12 7.901 7.901 7.373 0.528 18229 65 1 1 . 1 1 13 13 SER N N 13 121.941 121.941 118.788 3.153 18229 66 1 1 . 1 1 13 13 SER HA H 13 4.627 4.627 5.047 -0.420 18229 67 1 1 . 1 1 13 13 SER C C 13 175.339 175.339 174.148 1.191 18229 68 1 1 . 1 1 13 13 SER CA C 13 59.813 59.813 57.439 2.374 18229 69 1 1 . 1 1 13 13 SER CB C 13 63.763 63.763 64.378 -0.615 18229 70 1 1 . 1 1 13 13 SER H H 13 8.876 8.876 8.595 0.281 18229 71 1 1 . 1 1 14 14 GLY N N 14 113.199 113.199 112.907 0.292 18229 72 1 1 . 1 1 14 14 GLY C C 14 172.742 172.742 172.420 0.322 18229 73 1 1 . 1 1 14 14 GLY CA C 14 46.520 46.520 43.874 2.646 18229 74 1 1 . 1 1 14 14 GLY H H 14 8.277 8.277 9.159 -0.882 18229 75 1 1 . 1 1 15 15 ILE N N 15 123.240 123.240 119.519 3.721 18229 76 1 1 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.482 0.328 18229 77 1 1 . 1 1 15 15 ILE C C 15 175.370 175.370 173.900 1.470 18229 78 1 1 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.735 0.585 18229 79 1 1 . 1 1 15 15 ILE CB C 15 41.606 41.606 40.193 1.413 18229 80 1 1 . 1 1 15 15 ILE H H 15 8.298 8.298 8.611 -0.313 18229 81 1 1 . 1 1 16 16 ILE N N 16 127.865 127.865 128.343 -0.478 18229 82 1 1 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.610 0.390 18229 83 1 1 . 1 1 16 16 ILE C C 16 173.119 173.119 174.134 -1.015 18229 84 1 1 . 1 1 16 16 ILE CA C 16 59.755 59.755 60.027 -0.272 18229 85 1 1 . 1 1 16 16 ILE CB C 16 41.868 41.868 39.572 2.296 18229 86 1 1 . 1 1 16 16 ILE H H 16 9.428 9.428 9.056 0.372 18229 87 1 1 . 1 1 17 17 ALA N N 17 127.742 127.742 131.932 -4.190 18229 88 1 1 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.958 0.116 18229 89 1 1 . 1 1 17 17 ALA C C 17 176.203 176.203 176.352 -0.149 18229 90 1 1 . 1 1 17 17 ALA CA C 17 51.391 51.391 50.131 1.260 18229 91 1 1 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.060 1.130 18229 92 1 1 . 1 1 17 17 ALA H H 17 8.966 8.966 8.864 0.102 18229 93 1 1 . 1 1 18 18 ILE N N 18 122.269 122.269 123.827 -1.558 18229 94 1 1 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.235 0.386 18229 95 1 1 . 1 1 18 18 ILE C C 18 174.306 174.306 175.854 -1.548 18229 96 1 1 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.191 -0.691 18229 97 1 1 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.068 0.079 18229 98 1 1 . 1 1 18 18 ILE H H 18 8.672 8.672 8.397 0.275 18229 99 1 1 . 1 1 19 19 ASN N N 19 127.575 127.575 125.164 2.411 18229 100 1 1 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.843 0.219 18229 101 1 1 . 1 1 19 19 ASN C C 19 174.730 174.730 174.397 0.333 18229 102 1 1 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.682 -0.953 18229 103 1 1 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.640 -0.144 18229 104 1 1 . 1 1 19 19 ASN H H 19 9.350 9.350 9.114 0.236 18229 105 1 1 . 1 1 20 20 GLU N N 20 121.547 121.547 121.871 -0.324 18229 106 1 1 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.102 0.575 18229 107 1 1 . 1 1 20 20 GLU C C 20 176.091 176.091 176.065 0.026 18229 108 1 1 . 1 1 20 20 GLU CA C 20 55.802 55.802 58.155 -2.353 18229 109 1 1 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.841 0.831 18229 110 1 1 . 1 1 20 20 GLU H H 20 9.037 9.037 8.229 0.808 18229 111 1 1 . 1 1 21 21 ASP N N 21 121.086 121.086 117.876 3.210 18229 112 1 1 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.532 0.097 18229 113 1 1 . 1 1 21 21 ASP C C 21 175.651 175.651 176.097 -0.446 18229 114 1 1 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.281 1.218 18229 115 1 1 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.569 -0.019 18229 116 1 1 . 1 1 21 21 ASP H H 21 8.706 8.706 8.077 0.629 18229 117 1 1 . 1 1 22 22 VAL N N 22 113.108 113.108 117.669 -4.561 18229 118 1 1 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.396 -0.080 18229 119 1 1 . 1 1 22 22 VAL C C 22 173.407 173.407 174.890 -1.483 18229 120 1 1 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.273 -1.119 18229 121 1 1 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.852 0.177 18229 122 1 1 . 1 1 22 22 VAL H H 22 6.819 6.819 7.306 -0.487 18229 123 1 1 . 1 1 23 23 SER N N 23 115.009 115.009 114.742 0.267 18229 124 1 1 . 1 1 23 23 SER HA H 23 4.735 4.735 4.569 0.166 18229 125 1 1 . 1 1 23 23 SER CA C 23 53.848 53.848 57.069 -3.221 18229 126 1 1 . 1 1 23 23 SER CB C 23 64.810 64.810 64.548 0.262 18229 127 1 1 . 1 1 23 23 SER H H 23 8.032 8.032 8.201 -0.169 18229 128 1 1 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.394 0.390 18229 129 1 1 . 1 1 24 24 PRO C C 24 174.825 174.825 175.871 -1.046 18229 130 1 1 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.519 0.329 18229 131 1 1 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.324 2.477 18229 132 1 1 . 1 1 25 25 ALA N N 25 120.477 120.477 122.464 -1.987 18229 133 1 1 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.279 0.236 18229 134 1 1 . 1 1 25 25 ALA C C 25 175.878 175.878 176.603 -0.725 18229 135 1 1 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.384 0.224 18229 136 1 1 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.183 0.271 18229 137 1 1 . 1 1 25 25 ALA H H 25 8.013 8.013 8.224 -0.211 18229 138 1 1 . 1 1 26 26 GLU N N 26 115.417 115.417 115.022 0.395 18229 139 1 1 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.156 -0.085 18229 140 1 1 . 1 1 26 26 GLU C C 26 174.599 174.599 174.460 0.139 18229 141 1 1 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.612 -1.625 18229 142 1 1 . 1 1 26 26 GLU CB C 26 34.265 34.265 34.838 -0.573 18229 143 1 1 . 1 1 26 26 GLU H H 26 7.821 7.821 7.967 -0.146 18229 144 1 1 . 1 1 27 27 LEU N N 27 124.622 124.622 123.839 0.783 18229 145 1 1 . 1 1 27 27 LEU HA H 27 5.038 5.038 4.746 0.292 18229 146 1 1 . 1 1 27 27 LEU C C 27 174.704 174.704 174.750 -0.046 18229 147 1 1 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.449 0.308 18229 148 1 1 . 1 1 27 27 LEU CB C 27 45.646 45.646 45.497 0.149 18229 149 1 1 . 1 1 27 27 LEU H H 27 8.863 8.863 9.201 -0.338 18229 150 1 1 . 1 1 28 28 THR N N 28 121.755 121.755 120.307 1.448 18229 151 1 1 . 1 1 28 28 THR HA H 28 5.152 5.152 4.938 0.214 18229 152 1 1 . 1 1 28 28 THR C C 28 172.573 172.573 173.218 -0.645 18229 153 1 1 . 1 1 28 28 THR CA C 28 61.452 61.452 62.062 -0.610 18229 154 1 1 . 1 1 28 28 THR CB C 28 71.480 71.480 69.464 2.016 18229 155 1 1 . 1 1 28 28 THR H H 28 9.276 9.276 8.136 1.140 18229 156 1 1 . 1 1 29 29 TRP N N 29 128.764 128.764 130.751 -1.987 18229 157 1 1 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.099 0.349 18229 158 1 1 . 1 1 29 29 TRP C C 29 173.881 173.881 174.211 -0.330 18229 159 1 1 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.228 -0.438 18229 160 1 1 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.010 1.320 18229 161 1 1 . 1 1 29 29 TRP H H 29 9.383 9.383 9.656 -0.273 18229 162 1 1 . 1 1 30 30 ARG N N 30 126.417 126.417 130.538 -4.121 18229 163 1 1 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.572 0.235 18229 164 1 1 . 1 1 30 30 ARG C C 30 174.712 174.712 174.930 -0.218 18229 165 1 1 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.848 -0.380 18229 166 1 1 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.778 0.040 18229 167 1 1 . 1 1 30 30 ARG H H 30 7.579 7.579 9.113 -1.534 18229 168 1 1 . 1 1 31 31 SER N N 31 118.415 118.415 120.749 -2.334 18229 169 1 1 . 1 1 31 31 SER HA H 31 4.480 4.480 3.672 0.808 18229 170 1 1 . 1 1 31 31 SER C C 31 176.360 176.360 175.219 1.141 18229 171 1 1 . 1 1 31 31 SER CA C 31 58.070 58.070 59.057 -0.987 18229 172 1 1 . 1 1 31 31 SER CB C 31 64.272 64.272 63.834 0.438 18229 173 1 1 . 1 1 31 31 SER H H 31 8.078 8.078 8.670 -0.592 18229 174 1 1 . 1 1 32 32 THR N N 32 119.175 119.175 120.863 -1.688 18229 175 1 1 . 1 1 32 32 THR HA H 32 3.847 3.847 4.100 -0.253 18229 176 1 1 . 1 1 32 32 THR C C 32 175.602 175.602 175.456 0.146 18229 177 1 1 . 1 1 32 32 THR CA C 32 66.265 66.265 65.196 1.069 18229 178 1 1 . 1 1 32 32 THR CB C 32 68.557 68.557 68.946 -0.389 18229 179 1 1 . 1 1 32 32 THR H H 32 8.520 8.520 8.456 0.064 18229 180 1 1 . 1 1 33 33 ASP N N 33 117.286 117.286 119.387 -2.101 18229 181 1 1 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.641 -0.024 18229 182 1 1 . 1 1 33 33 ASP C C 33 177.056 177.056 176.388 0.668 18229 183 1 1 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.133 0.092 18229 184 1 1 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.580 -0.702 18229 185 1 1 . 1 1 33 33 ASP H H 33 8.223 8.223 7.759 0.464 18229 186 1 1 . 1 1 34 34 GLY N N 34 109.197 109.197 108.552 0.645 18229 187 1 1 . 1 1 34 34 GLY C C 34 173.762 173.762 174.705 -0.943 18229 188 1 1 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.982 0.417 18229 189 1 1 . 1 1 34 34 GLY H H 34 7.914 7.914 7.479 0.435 18229 190 1 1 . 1 1 35 35 ASP N N 35 118.081 118.081 119.851 -1.770 18229 191 1 1 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.656 -0.137 18229 192 1 1 . 1 1 35 35 ASP C C 35 175.366 175.366 176.318 -0.952 18229 193 1 1 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.377 -0.517 18229 194 1 1 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.528 -0.555 18229 195 1 1 . 1 1 35 35 ASP H H 35 8.238 8.238 7.813 0.425 18229 196 1 1 . 1 1 36 36 LYS N N 36 120.362 120.362 115.913 4.449 18229 197 1 1 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.323 0.511 18229 198 1 1 . 1 1 36 36 LYS C C 36 174.568 174.568 173.407 1.161 18229 199 1 1 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.439 0.097 18229 200 1 1 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.813 0.966 18229 201 1 1 . 1 1 36 36 LYS H H 36 7.749 7.749 7.702 0.047 18229 202 1 1 . 1 1 37 37 VAL N N 37 121.758 121.758 119.976 1.782 18229 203 1 1 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.250 0.021 18229 204 1 1 . 1 1 37 37 VAL C C 37 175.209 175.209 174.016 1.193 18229 205 1 1 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.371 -0.108 18229 206 1 1 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.069 0.914 18229 207 1 1 . 1 1 37 37 VAL H H 37 8.526 8.526 8.297 0.229 18229 208 1 1 . 1 1 38 38 HIS N N 38 126.087 126.087 126.407 -0.320 18229 209 1 1 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.915 0.106 18229 210 1 1 . 1 1 38 38 HIS C C 38 173.116 173.116 174.486 -1.370 18229 211 1 1 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.751 1.057 18229 212 1 1 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.456 0.527 18229 213 1 1 . 1 1 38 38 HIS H H 38 9.633 9.633 9.555 0.078 18229 214 1 1 . 1 1 39 39 THR N N 39 124.455 124.455 120.414 4.041 18229 215 1 1 . 1 1 39 39 THR HA H 39 5.155 5.155 5.231 -0.076 18229 216 1 1 . 1 1 39 39 THR C C 39 173.102 173.102 173.813 -0.711 18229 217 1 1 . 1 1 39 39 THR CA C 39 61.637 61.637 61.265 0.372 18229 218 1 1 . 1 1 39 39 THR CB C 39 70.716 70.716 69.683 1.033 18229 219 1 1 . 1 1 39 39 THR H H 39 8.415 8.415 8.648 -0.233 18229 220 1 1 . 1 1 40 40 VAL N N 40 126.066 126.066 123.330 2.736 18229 221 1 1 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.154 -0.201 18229 222 1 1 . 1 1 40 40 VAL C C 40 174.693 174.693 174.087 0.606 18229 223 1 1 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.722 -0.374 18229 224 1 1 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.336 -2.062 18229 225 1 1 . 1 1 40 40 VAL H H 40 9.387 9.387 9.225 0.162 18229 226 1 1 . 1 1 41 41 VAL N N 41 129.775 129.775 128.833 0.942 18229 227 1 1 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.417 -0.429 18229 228 1 1 . 1 1 41 41 VAL C C 41 179.424 179.424 176.306 3.118 18229 229 1 1 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.764 2.980 18229 230 1 1 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.706 0.245 18229 231 1 1 . 1 1 41 41 VAL H H 41 9.021 9.021 8.824 0.197 18229 232 1 1 . 1 1 42 42 LEU N N 42 129.645 129.645 127.782 1.863 18229 233 1 1 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.058 -0.085 18229 234 1 1 . 1 1 42 42 LEU C C 42 176.259 176.259 177.956 -1.697 18229 235 1 1 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.550 1.093 18229 236 1 1 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.350 -0.522 18229 237 1 1 . 1 1 42 42 LEU H H 42 9.147 9.147 8.611 0.536 18229 238 1 1 . 1 1 43 43 SER N N 43 110.158 110.158 111.536 -1.378 18229 239 1 1 . 1 1 43 43 SER HA H 43 4.310 4.310 4.241 0.069 18229 240 1 1 . 1 1 43 43 SER C C 43 175.263 175.263 175.914 -0.651 18229 241 1 1 . 1 1 43 43 SER CA C 43 59.620 59.620 60.953 -1.333 18229 242 1 1 . 1 1 43 43 SER CB C 43 61.543 61.543 63.464 -1.921 18229 243 1 1 . 1 1 43 43 SER H H 43 7.006 7.006 8.387 -1.381 18229 244 1 1 . 1 1 44 44 THR N N 44 110.206 110.206 114.482 -4.276 18229 245 1 1 . 1 1 44 44 THR HA H 44 4.504 4.504 4.168 0.336 18229 246 1 1 . 1 1 44 44 THR C C 44 173.489 173.489 175.403 -1.914 18229 247 1 1 . 1 1 44 44 THR CA C 44 62.024 62.024 64.033 -2.009 18229 248 1 1 . 1 1 44 44 THR CB C 44 69.805 69.805 68.924 0.881 18229 249 1 1 . 1 1 44 44 THR H H 44 7.571 7.571 7.714 -0.143 18229 250 1 1 . 1 1 45 45 ILE N N 45 120.322 120.322 123.393 -3.071 18229 251 1 1 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.196 0.072 18229 252 1 1 . 1 1 45 45 ILE C C 45 174.103 174.103 176.170 -2.067 18229 253 1 1 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.787 -3.817 18229 254 1 1 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.007 0.553 18229 255 1 1 . 1 1 45 45 ILE H H 45 6.975 6.975 8.038 -1.063 18229 256 1 1 . 1 1 46 46 ASP N N 46 126.492 126.492 127.831 -1.339 18229 257 1 1 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.402 0.309 18229 258 1 1 . 1 1 46 46 ASP C C 46 175.431 175.431 175.546 -0.115 18229 259 1 1 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.295 -1.462 18229 260 1 1 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.735 2.800 18229 261 1 1 . 1 1 46 46 ASP H H 46 9.262 9.262 8.695 0.567 18229 262 1 1 . 1 1 47 47 LYS N N 47 112.726 112.726 112.435 0.291 18229 263 1 1 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.423 0.284 18229 264 1 1 . 1 1 47 47 LYS C C 47 172.673 172.673 173.606 -0.933 18229 265 1 1 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.406 -0.584 18229 266 1 1 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.176 2.433 18229 267 1 1 . 1 1 47 47 LYS H H 47 7.572 7.572 7.398 0.174 18229 268 1 1 . 1 1 48 48 LEU N N 48 124.840 124.840 122.385 2.455 18229 269 1 1 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.832 0.219 18229 270 1 1 . 1 1 48 48 LEU C C 48 173.965 173.965 175.607 -1.642 18229 271 1 1 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.256 -1.236 18229 272 1 1 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.979 1.585 18229 273 1 1 . 1 1 48 48 LEU H H 48 9.013 9.013 8.518 0.495 18229 274 1 1 . 1 1 49 49 GLN N N 49 121.648 121.648 125.676 -4.028 18229 275 1 1 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.755 0.763 18229 276 1 1 . 1 1 49 49 GLN C C 49 174.700 174.700 174.063 0.637 18229 277 1 1 . 1 1 49 49 GLN CA C 49 53.599 53.599 53.864 -0.265 18229 278 1 1 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.249 1.777 18229 279 1 1 . 1 1 49 49 GLN H H 49 9.260 9.260 9.342 -0.082 18229 280 1 1 . 1 1 50 50 ALA N N 50 122.020 122.020 124.962 -2.942 18229 281 1 1 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.038 0.709 18229 282 1 1 . 1 1 50 50 ALA C C 50 177.167 177.167 176.220 0.947 18229 283 1 1 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.130 -0.538 18229 284 1 1 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.202 2.161 18229 285 1 1 . 1 1 50 50 ALA H H 50 9.286 9.286 8.330 0.956 18229 286 1 1 . 1 1 51 51 THR N N 51 114.222 114.222 115.667 -1.445 18229 287 1 1 . 1 1 51 51 THR HA H 51 4.735 4.735 4.292 0.443 18229 288 1 1 . 1 1 51 51 THR CA C 51 59.228 59.228 61.443 -2.215 18229 289 1 1 . 1 1 51 51 THR CB C 51 67.954 67.954 68.023 -0.069 18229 290 1 1 . 1 1 51 51 THR H H 51 8.340 8.340 8.768 -0.428 18229 291 1 1 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.381 0.189 18229 292 1 1 . 1 1 52 52 PRO C C 52 178.621 178.621 177.176 1.445 18229 293 1 1 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.707 -0.279 18229 294 1 1 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.552 0.167 18229 295 1 1 . 1 1 53 53 ALA N N 53 126.566 126.566 123.067 3.499 18229 296 1 1 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.132 -0.077 18229 297 1 1 . 1 1 53 53 ALA C C 53 177.578 177.578 178.414 -0.836 18229 298 1 1 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.213 0.607 18229 299 1 1 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.761 -0.904 18229 300 1 1 . 1 1 53 53 ALA H H 53 9.109 9.109 8.361 0.748 18229 301 1 1 . 1 1 54 54 SER N N 54 107.184 107.184 111.411 -4.227 18229 302 1 1 . 1 1 54 54 SER HA H 54 4.235 4.235 4.321 -0.086 18229 303 1 1 . 1 1 54 54 SER C C 54 174.838 174.838 174.636 0.202 18229 304 1 1 . 1 1 54 54 SER CA C 54 58.116 58.116 59.761 -1.645 18229 305 1 1 . 1 1 54 54 SER CB C 54 63.021 63.021 63.147 -0.126 18229 306 1 1 . 1 1 54 54 SER H H 54 7.595 7.595 8.052 -0.457 18229 307 1 1 . 1 1 55 55 SER N N 55 117.098 117.098 118.654 -1.556 18229 308 1 1 . 1 1 55 55 SER HA H 55 4.484 4.484 4.579 -0.095 18229 309 1 1 . 1 1 55 55 SER C C 55 174.833 174.833 173.975 0.858 18229 310 1 1 . 1 1 55 55 SER CA C 55 57.510 57.510 58.299 -0.789 18229 311 1 1 . 1 1 55 55 SER CB C 55 64.121 64.121 64.427 -0.305 18229 312 1 1 . 1 1 55 55 SER H H 55 7.613 7.613 7.282 0.331 18229 313 1 1 . 1 1 56 56 GLU N N 56 125.258 125.258 123.999 1.259 18229 314 1 1 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.000 0.129 18229 315 1 1 . 1 1 56 56 GLU C C 56 177.852 177.852 176.629 1.223 18229 316 1 1 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.174 -0.562 18229 317 1 1 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.726 -0.302 18229 318 1 1 . 1 1 56 56 GLU H H 56 8.849 8.849 8.740 0.109 18229 319 1 1 . 1 1 57 57 LYS N N 57 119.058 119.058 118.931 0.127 18229 320 1 1 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.168 0.131 18229 321 1 1 . 1 1 57 57 LYS C C 57 175.699 175.699 176.232 -0.533 18229 322 1 1 . 1 1 57 57 LYS CA C 57 55.645 55.645 56.737 -1.092 18229 323 1 1 . 1 1 57 57 LYS CB C 57 33.270 33.270 31.885 1.385 18229 324 1 1 . 1 1 57 57 LYS H H 57 8.060 8.060 7.771 0.289 18229 325 1 1 . 1 1 58 58 MET N N 58 123.967 123.967 122.565 1.402 18229 326 1 1 . 1 1 58 58 MET HA H 58 4.345 4.345 4.797 -0.452 18229 327 1 1 . 1 1 58 58 MET C C 58 174.213 174.213 174.541 -0.328 18229 328 1 1 . 1 1 58 58 MET CA C 58 55.170 55.170 53.416 1.754 18229 329 1 1 . 1 1 58 58 MET CB C 58 35.330 35.330 31.637 3.693 18229 330 1 1 . 1 1 58 58 MET H H 58 8.828 8.828 8.653 0.175 18229 331 1 1 . 1 1 59 59 MET N N 59 120.929 120.929 122.438 -1.509 18229 332 1 1 . 1 1 59 59 MET HA H 59 5.905 5.905 5.362 0.543 18229 333 1 1 . 1 1 59 59 MET C C 59 174.521 174.521 173.987 0.534 18229 334 1 1 . 1 1 59 59 MET CA C 59 55.038 55.038 55.698 -0.660 18229 335 1 1 . 1 1 59 59 MET CB C 59 39.549 39.549 37.491 2.058 18229 336 1 1 . 1 1 59 59 MET H H 59 8.528 8.528 8.990 -0.462 18229 337 1 1 . 1 1 60 60 LEU N N 60 117.623 117.623 121.768 -4.145 18229 338 1 1 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.247 0.418 18229 339 1 1 . 1 1 60 60 LEU C C 60 175.763 175.763 175.593 0.170 18229 340 1 1 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.995 -0.810 18229 341 1 1 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.224 2.337 18229 342 1 1 . 1 1 60 60 LEU H H 60 9.052 9.052 9.703 -0.651 18229 343 1 1 . 1 1 61 61 ARG N N 61 120.407 120.407 118.254 2.153 18229 344 1 1 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.783 -0.312 18229 345 1 1 . 1 1 61 61 ARG C C 61 173.286 173.286 174.678 -1.392 18229 346 1 1 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.981 -0.050 18229 347 1 1 . 1 1 61 61 ARG CB C 61 35.335 35.335 34.803 0.532 18229 348 1 1 . 1 1 61 61 ARG H H 61 9.180 9.180 9.607 -0.427 18229 349 1 1 . 1 1 62 62 LEU N N 62 126.471 126.471 122.391 4.080 18229 350 1 1 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.176 0.022 18229 351 1 1 . 1 1 62 62 LEU C C 62 175.447 175.447 175.845 -0.398 18229 352 1 1 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.513 -0.105 18229 353 1 1 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.806 -1.373 18229 354 1 1 . 1 1 62 62 LEU H H 62 9.203 9.203 9.330 -0.127 18229 355 1 1 . 1 1 63 63 ILE N N 63 123.282 123.282 123.638 -0.356 18229 356 1 1 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.563 0.134 18229 357 1 1 . 1 1 63 63 ILE C C 63 176.525 176.525 176.542 -0.017 18229 358 1 1 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.396 0.280 18229 359 1 1 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.918 0.787 18229 360 1 1 . 1 1 63 63 ILE H H 63 8.983 8.983 8.981 0.002 18229 361 1 1 . 1 1 64 64 GLY N N 64 115.647 115.647 109.993 5.654 18229 362 1 1 . 1 1 64 64 GLY C C 64 172.300 172.300 173.121 -0.821 18229 363 1 1 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.744 1.918 18229 364 1 1 . 1 1 64 64 GLY H H 64 9.372 9.372 8.102 1.270 18229 365 1 1 . 1 1 65 65 LYS N N 65 119.107 119.107 125.002 -5.895 18229 366 1 1 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.346 -0.040 18229 367 1 1 . 1 1 65 65 LYS C C 65 177.404 177.404 175.746 1.658 18229 368 1 1 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.135 -0.634 18229 369 1 1 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.583 1.835 18229 370 1 1 . 1 1 65 65 LYS H H 65 8.289 8.289 7.911 0.378 18229 371 1 1 . 1 1 66 66 VAL N N 66 122.231 122.231 122.615 -0.384 18229 372 1 1 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.165 -0.086 18229 373 1 1 . 1 1 66 66 VAL C C 66 175.253 175.253 176.099 -0.846 18229 374 1 1 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.545 0.591 18229 375 1 1 . 1 1 66 66 VAL CB C 66 33.284 33.284 34.185 -0.901 18229 376 1 1 . 1 1 66 66 VAL H H 66 8.607 8.607 8.077 0.530 18229 377 1 1 . 1 1 67 67 ASP N N 67 125.538 125.538 124.858 0.680 18229 378 1 1 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.829 -0.130 18229 379 1 1 . 1 1 67 67 ASP C C 67 176.601 176.601 176.653 -0.052 18229 380 1 1 . 1 1 67 67 ASP CA C 67 53.058 53.058 54.260 -1.202 18229 381 1 1 . 1 1 67 67 ASP CB C 67 40.872 40.872 39.817 1.055 18229 382 1 1 . 1 1 67 67 ASP H H 67 8.457 8.457 8.774 -0.317 18229 383 1 1 . 1 1 68 68 GLU N N 68 124.433 124.433 118.105 6.328 18229 384 1 1 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.148 -0.024 18229 385 1 1 . 1 1 68 68 GLU C C 68 177.344 177.344 177.139 0.205 18229 386 1 1 . 1 1 68 68 GLU CA C 68 57.635 57.635 57.952 -0.317 18229 387 1 1 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.079 0.601 18229 388 1 1 . 1 1 68 68 GLU H H 68 8.712 8.712 7.698 1.014 18229 389 1 1 . 1 1 69 69 SER N N 69 115.596 115.596 115.293 0.303 18229 390 1 1 . 1 1 69 69 SER HA H 69 4.328 4.328 4.274 0.054 18229 391 1 1 . 1 1 69 69 SER C C 69 175.180 175.180 175.410 -0.230 18229 392 1 1 . 1 1 69 69 SER CA C 69 60.146 60.146 60.403 -0.257 18229 393 1 1 . 1 1 69 69 SER CB C 69 63.383 63.383 63.077 0.306 18229 394 1 1 . 1 1 69 69 SER H H 69 8.467 8.467 8.377 0.090 18229 395 1 1 . 1 1 70 70 LYS N N 70 121.738 121.738 119.864 1.874 18229 396 1 1 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.287 0.119 18229 397 1 1 . 1 1 70 70 LYS C C 70 176.165 176.165 176.279 -0.114 18229 398 1 1 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.391 -0.981 18229 399 1 1 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.203 -0.702 18229 400 1 1 . 1 1 70 70 LYS H H 70 7.675 7.675 7.542 0.133 18229 401 1 1 . 1 1 71 71 LYS N N 71 121.087 121.087 118.275 2.812 18229 402 1 1 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.009 0.399 18229 403 1 1 . 1 1 71 71 LYS C C 71 176.134 176.134 175.288 0.846 18229 404 1 1 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.178 -0.573 18229 405 1 1 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.482 1.801 18229 406 1 1 . 1 1 71 71 LYS H H 71 7.739 7.739 8.386 -0.647 18229 407 1 1 . 1 1 72 72 ARG N N 72 122.147 122.147 119.050 3.097 18229 408 1 1 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.557 0.027 18229 409 1 1 . 1 1 72 72 ARG C C 72 175.217 175.217 174.354 0.863 18229 410 1 1 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.142 0.899 18229 411 1 1 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.353 1.001 18229 412 1 1 . 1 1 72 72 ARG H H 72 8.402 8.402 7.801 0.601 18229 413 1 1 . 1 1 73 73 LYS N N 73 121.242 121.242 119.691 1.551 18229 414 1 1 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.576 0.323 18229 415 1 1 . 1 1 73 73 LYS C C 73 176.966 176.966 175.642 1.324 18229 416 1 1 . 1 1 73 73 LYS CA C 73 55.365 55.365 55.882 -0.517 18229 417 1 1 . 1 1 73 73 LYS CB C 73 34.631 34.631 33.452 1.179 18229 418 1 1 . 1 1 73 73 LYS H H 73 8.386 8.386 8.385 0.001 18229 419 1 1 . 1 1 74 74 ASP N N 74 122.007 122.007 117.029 4.978 18229 420 1 1 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.711 -0.060 18229 421 1 1 . 1 1 74 74 ASP C C 74 177.401 177.401 175.855 1.546 18229 422 1 1 . 1 1 74 74 ASP CA C 74 52.840 52.840 54.921 -2.081 18229 423 1 1 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.687 -0.679 18229 424 1 1 . 1 1 74 74 ASP H H 74 8.559 8.559 8.461 0.098 18229 425 1 1 . 1 1 75 75 ASN N N 75 116.263 116.263 115.243 1.020 18229 426 1 1 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.602 -0.067 18229 427 1 1 . 1 1 75 75 ASN C C 75 175.944 175.944 174.208 1.736 18229 428 1 1 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.453 1.424 18229 429 1 1 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.895 -0.785 18229 430 1 1 . 1 1 75 75 ASN H H 75 8.414 8.414 8.113 0.301 18229 431 1 1 . 1 1 76 76 GLU N N 76 118.940 118.940 121.267 -2.327 18229 432 1 1 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.563 -0.170 18229 433 1 1 . 1 1 76 76 GLU C C 76 176.512 176.512 176.977 -0.465 18229 434 1 1 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.925 0.241 18229 435 1 1 . 1 1 76 76 GLU CB C 76 30.010 30.010 30.028 -0.018 18229 436 1 1 . 1 1 76 76 GLU H H 76 8.133 8.133 8.398 -0.265 18229 437 1 1 . 1 1 77 77 GLY N N 77 108.056 108.056 108.619 -0.563 18229 438 1 1 . 1 1 77 77 GLY C C 77 174.193 174.193 174.721 -0.528 18229 439 1 1 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.880 -0.593 18229 440 1 1 . 1 1 77 77 GLY H H 77 8.083 8.083 8.439 -0.356 18229 441 1 1 . 1 1 78 78 ASN N N 78 119.896 119.896 117.786 2.110 18229 442 1 1 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.530 0.212 18229 443 1 1 . 1 1 78 78 ASN C C 78 175.006 175.006 174.732 0.274 18229 444 1 1 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.521 -0.694 18229 445 1 1 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.137 -0.141 18229 446 1 1 . 1 1 78 78 ASN H H 78 8.537 8.537 7.978 0.559 18229 447 1 1 . 1 1 79 79 GLU N N 79 121.648 121.648 119.582 2.066 18229 448 1 1 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.512 -0.041 18229 449 1 1 . 1 1 79 79 GLU C C 79 176.268 176.268 175.094 1.174 18229 450 1 1 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.915 0.695 18229 451 1 1 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.331 -1.024 18229 452 1 1 . 1 1 79 79 GLU H H 79 8.674 8.674 8.369 0.305 18229 453 1 1 . 1 1 80 80 VAL N N 80 124.083 124.083 126.682 -2.599 18229 454 1 1 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.267 -0.019 18229 455 1 1 . 1 1 80 80 VAL C C 80 175.537 175.537 176.444 -0.907 18229 456 1 1 . 1 1 80 80 VAL CA C 80 61.465 61.465 63.043 -1.578 18229 457 1 1 . 1 1 80 80 VAL CB C 80 33.553 33.553 33.157 0.396 18229 458 1 1 . 1 1 80 80 VAL H H 80 8.554 8.554 9.071 -0.517 18229 459 1 1 . 1 1 81 81 VAL N N 81 126.640 126.640 120.767 5.873 18229 460 1 1 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.838 0.589 18229 461 1 1 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.548 -1.944 18229 462 1 1 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.991 0.885 18229 463 1 1 . 1 1 81 81 VAL H H 81 8.390 8.390 7.932 0.458 18229 464 1 1 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.315 0.112 18229 465 1 1 . 1 1 82 82 PRO C C 82 176.034 176.034 176.151 -0.117 18229 466 1 1 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.565 -0.855 18229 467 1 1 . 1 1 82 82 PRO CB C 82 32.352 32.352 31.982 0.370 18229 468 1 1 . 1 1 83 83 LYS N N 83 121.719 121.719 124.861 -3.142 18229 469 1 1 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.361 0.187 18229 470 1 1 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.177 -1.321 18229 471 1 1 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.627 -0.297 18229 472 1 1 . 1 1 83 83 LYS H H 83 8.308 8.308 8.271 0.037 18229 473 1 1 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.492 -0.196 18229 474 1 1 . 1 1 84 84 PRO C C 84 176.773 176.773 175.720 1.053 18229 475 1 1 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.486 0.070 18229 476 1 1 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.552 0.066 18229 477 1 1 . 1 1 85 85 GLN N N 85 121.395 121.395 121.865 -0.470 18229 478 1 1 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.533 -0.392 18229 479 1 1 . 1 1 85 85 GLN C C 85 174.940 174.940 174.347 0.593 18229 480 1 1 . 1 1 85 85 GLN CA C 85 56.062 56.062 54.850 1.212 18229 481 1 1 . 1 1 85 85 GLN CB C 85 29.730 29.730 30.475 -0.745 18229 482 1 1 . 1 1 85 85 GLN H H 85 8.464 8.464 8.484 -0.020 18229 483 1 1 . 1 1 86 86 ARG N N 86 121.035 121.035 122.799 -1.764 18229 484 1 1 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.793 0.334 18229 485 1 1 . 1 1 86 86 ARG C C 86 175.052 175.052 175.577 -0.525 18229 486 1 1 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.155 0.379 18229 487 1 1 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.794 0.539 18229 488 1 1 . 1 1 86 86 ARG H H 86 8.248 8.248 8.464 -0.216 18229 489 1 1 . 1 1 87 87 HIS N N 87 120.780 120.780 122.265 -1.485 18229 490 1 1 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.571 0.111 18229 491 1 1 . 1 1 87 87 HIS C C 87 173.558 173.558 173.459 0.099 18229 492 1 1 . 1 1 87 87 HIS CA C 87 54.192 54.192 55.113 -0.921 18229 493 1 1 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.674 2.380 18229 494 1 1 . 1 1 87 87 HIS H H 87 8.659 8.659 9.073 -0.414 18229 495 1 1 . 1 1 88 88 MET N N 88 126.780 126.780 123.587 3.193 18229 496 1 1 . 1 1 88 88 MET HA H 88 5.283 5.283 4.385 0.898 18229 497 1 1 . 1 1 88 88 MET C C 88 173.297 173.297 173.213 0.084 18229 498 1 1 . 1 1 88 88 MET CA C 88 54.835 54.835 54.849 -0.014 18229 499 1 1 . 1 1 88 88 MET CB C 88 35.794 35.794 34.315 1.479 18229 500 1 1 . 1 1 88 88 MET H H 88 8.710 8.710 7.969 0.741 18229 501 1 1 . 1 1 89 89 PHE N N 89 122.543 122.543 123.559 -1.016 18229 502 1 1 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.354 -0.159 18229 503 1 1 . 1 1 89 89 PHE C C 89 174.410 174.410 174.616 -0.206 18229 504 1 1 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.702 0.677 18229 505 1 1 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.724 2.465 18229 506 1 1 . 1 1 89 89 PHE H H 89 8.969 8.969 9.189 -0.220 18229 507 1 1 . 1 1 90 90 SER N N 90 116.192 116.192 118.182 -1.990 18229 508 1 1 . 1 1 90 90 SER HA H 90 5.696 5.696 4.864 0.832 18229 509 1 1 . 1 1 90 90 SER C C 90 173.030 173.030 173.867 -0.837 18229 510 1 1 . 1 1 90 90 SER CA C 90 56.771 56.771 57.406 -0.635 18229 511 1 1 . 1 1 90 90 SER CB C 90 64.961 64.961 63.801 1.160 18229 512 1 1 . 1 1 90 90 SER H H 90 8.657 8.657 8.457 0.200 18229 513 1 1 . 1 1 91 91 PHE N N 91 120.710 120.710 126.057 -5.347 18229 514 1 1 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.619 0.268 18229 515 1 1 . 1 1 91 91 PHE C C 91 174.442 174.442 175.420 -0.978 18229 516 1 1 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.412 -0.987 18229 517 1 1 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.453 2.939 18229 518 1 1 . 1 1 91 91 PHE H H 91 9.001 9.001 8.674 0.327 18229 519 1 1 . 1 1 92 92 ASN N N 92 115.967 115.967 119.458 -3.491 18229 520 1 1 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.845 0.262 18229 521 1 1 . 1 1 92 92 ASN C C 92 174.835 174.835 174.000 0.835 18229 522 1 1 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.011 -0.761 18229 523 1 1 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.035 0.854 18229 524 1 1 . 1 1 92 92 ASN H H 92 9.093 9.093 9.080 0.013 18229 525 1 1 . 1 1 93 93 ASN N N 93 118.401 118.401 117.353 1.048 18229 526 1 1 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.840 0.082 18229 527 1 1 . 1 1 93 93 ASN C C 93 174.524 174.524 174.159 0.365 18229 528 1 1 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.520 -0.507 18229 529 1 1 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.036 1.725 18229 530 1 1 . 1 1 93 93 ASN H H 93 7.252 7.252 7.797 -0.545 18229 531 1 1 . 1 1 94 94 ARG N N 94 129.175 129.175 125.281 3.894 18229 532 1 1 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.023 -0.158 18229 533 1 1 . 1 1 94 94 ARG C C 94 176.797 176.797 177.618 -0.821 18229 534 1 1 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.182 0.301 18229 535 1 1 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.117 0.012 18229 536 1 1 . 1 1 94 94 ARG H H 94 9.309 9.309 8.943 0.366 18229 537 1 1 . 1 1 95 95 THR N N 95 115.594 115.594 114.866 0.728 18229 538 1 1 . 1 1 95 95 THR HA H 95 4.021 4.021 4.059 -0.038 18229 539 1 1 . 1 1 95 95 THR C C 95 176.735 176.735 176.001 0.734 18229 540 1 1 . 1 1 95 95 THR CA C 95 66.430 66.430 66.693 -0.263 18229 541 1 1 . 1 1 95 95 THR CB C 95 68.357 68.357 68.543 -0.186 18229 542 1 1 . 1 1 95 95 THR H H 95 7.973 7.973 8.112 -0.139 18229 543 1 1 . 1 1 96 96 VAL N N 96 121.833 121.833 121.406 0.427 18229 544 1 1 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.705 0.078 18229 545 1 1 . 1 1 96 96 VAL C C 96 177.561 177.561 177.838 -0.277 18229 546 1 1 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.443 -0.318 18229 547 1 1 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.195 1.006 18229 548 1 1 . 1 1 96 96 VAL H H 96 7.565 7.565 7.611 -0.046 18229 549 1 1 . 1 1 97 97 MET N N 97 117.429 117.429 117.071 0.358 18229 550 1 1 . 1 1 97 97 MET HA H 97 4.551 4.551 3.369 1.182 18229 551 1 1 . 1 1 97 97 MET C C 97 177.257 177.257 177.550 -0.293 18229 552 1 1 . 1 1 97 97 MET CA C 97 59.753 59.753 58.458 1.295 18229 553 1 1 . 1 1 97 97 MET CB C 97 32.515 32.515 31.300 1.215 18229 554 1 1 . 1 1 97 97 MET H H 97 7.336 7.336 8.007 -0.671 18229 555 1 1 . 1 1 98 98 ASP N N 98 118.159 118.159 120.210 -2.051 18229 556 1 1 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.261 0.054 18229 557 1 1 . 1 1 98 98 ASP C C 98 178.771 178.771 177.817 0.954 18229 558 1 1 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.351 0.253 18229 559 1 1 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.992 -1.328 18229 560 1 1 . 1 1 98 98 ASP H H 98 8.712 8.712 8.084 0.628 18229 561 1 1 . 1 1 99 99 ASN N N 99 120.354 120.354 117.243 3.111 18229 562 1 1 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.557 -0.077 18229 563 1 1 . 1 1 99 99 ASN C C 99 178.232 178.232 177.046 1.186 18229 564 1 1 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.276 1.024 18229 565 1 1 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.210 -0.762 18229 566 1 1 . 1 1 99 99 ASN H H 99 8.084 8.084 7.896 0.188 18229 567 1 1 . 1 1 100 100 ILE N N 100 120.990 120.990 121.700 -0.710 18229 568 1 1 . 1 1 100 100 ILE HA H 100 3.637 3.637 4.060 -0.423 18229 569 1 1 . 1 1 100 100 ILE C C 100 177.463 177.463 178.007 -0.544 18229 570 1 1 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.777 -1.004 18229 571 1 1 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.892 -2.425 18229 572 1 1 . 1 1 100 100 ILE H H 100 8.017 8.017 8.287 -0.270 18229 573 1 1 . 1 1 101 101 LYS N N 101 120.814 120.814 119.954 0.860 18229 574 1 1 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.827 -0.192 18229 575 1 1 . 1 1 101 101 LYS C C 101 177.365 177.365 178.964 -1.599 18229 576 1 1 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.891 0.745 18229 577 1 1 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.306 0.685 18229 578 1 1 . 1 1 101 101 LYS H H 101 8.944 8.944 8.357 0.587 18229 579 1 1 . 1 1 102 102 MET N N 102 116.514 116.514 114.030 2.484 18229 580 1 1 . 1 1 102 102 MET HA H 102 4.209 4.209 4.390 -0.181 18229 581 1 1 . 1 1 102 102 MET C C 102 178.925 178.925 177.794 1.131 18229 582 1 1 . 1 1 102 102 MET CA C 102 58.720 58.720 58.757 -0.037 18229 583 1 1 . 1 1 102 102 MET CB C 102 32.299 32.299 32.180 0.119 18229 584 1 1 . 1 1 102 102 MET H H 102 8.123 8.123 7.604 0.519 18229 585 1 1 . 1 1 103 103 THR N N 103 118.583 118.583 118.343 0.240 18229 586 1 1 . 1 1 103 103 THR HA H 103 3.882 3.882 3.999 -0.117 18229 587 1 1 . 1 1 103 103 THR C C 103 176.474 176.474 176.835 -0.361 18229 588 1 1 . 1 1 103 103 THR CA C 103 66.489 66.489 65.970 0.519 18229 589 1 1 . 1 1 103 103 THR CB C 103 67.864 67.864 68.096 -0.231 18229 590 1 1 . 1 1 103 103 THR H H 103 7.768 7.768 7.860 -0.092 18229 591 1 1 . 1 1 104 104 LEU N N 104 119.575 119.575 121.478 -1.903 18229 592 1 1 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.882 0.000 18229 593 1 1 . 1 1 104 104 LEU C C 104 177.935 177.935 179.295 -1.360 18229 594 1 1 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.641 -0.665 18229 595 1 1 . 1 1 104 104 LEU CB C 104 42.322 42.322 40.905 1.417 18229 596 1 1 . 1 1 104 104 LEU H H 104 8.537 8.537 7.962 0.575 18229 597 1 1 . 1 1 105 105 GLN N N 105 119.463 119.463 117.704 1.759 18229 598 1 1 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.813 -0.104 18229 599 1 1 . 1 1 105 105 GLN C C 105 178.507 178.507 178.802 -0.295 18229 600 1 1 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.014 0.726 18229 601 1 1 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.348 0.291 18229 602 1 1 . 1 1 105 105 GLN H H 105 8.736 8.736 7.757 0.979 18229 603 1 1 . 1 1 106 106 GLN N N 106 118.984 118.984 117.840 1.144 18229 604 1 1 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.007 -0.031 18229 605 1 1 . 1 1 106 106 GLN C C 106 178.454 178.454 178.123 0.331 18229 606 1 1 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.953 0.065 18229 607 1 1 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.845 -0.393 18229 608 1 1 . 1 1 106 106 GLN H H 106 7.689 7.689 8.222 -0.533 18229 609 1 1 . 1 1 107 107 ILE N N 107 119.928 119.928 117.563 2.365 18229 610 1 1 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.933 -0.470 18229 611 1 1 . 1 1 107 107 ILE C C 107 177.492 177.492 178.038 -0.546 18229 612 1 1 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.995 1.448 18229 613 1 1 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.651 0.844 18229 614 1 1 . 1 1 107 107 ILE H H 107 7.910 7.910 7.574 0.336 18229 615 1 1 . 1 1 108 108 ILE N N 108 117.958 117.958 121.501 -3.543 18229 616 1 1 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.426 2.333 18229 617 1 1 . 1 1 108 108 ILE C C 108 178.625 178.625 177.792 0.833 18229 618 1 1 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.683 0.896 18229 619 1 1 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.481 1.771 18229 620 1 1 . 1 1 108 108 ILE H H 108 8.767 8.767 8.565 0.202 18229 621 1 1 . 1 1 109 109 SER N N 109 113.450 113.450 114.566 -1.116 18229 622 1 1 . 1 1 109 109 SER HA H 109 4.271 4.271 3.944 0.327 18229 623 1 1 . 1 1 109 109 SER C C 109 175.966 175.966 176.366 -0.400 18229 624 1 1 . 1 1 109 109 SER CA C 109 62.205 62.205 61.508 0.697 18229 625 1 1 . 1 1 109 109 SER CB C 109 63.094 63.094 62.656 0.438 18229 626 1 1 . 1 1 109 109 SER H H 109 7.797 7.797 8.247 -0.450 18229 627 1 1 . 1 1 110 110 ARG N N 110 120.739 120.739 122.246 -1.507 18229 628 1 1 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.151 -0.032 18229 629 1 1 . 1 1 110 110 ARG C C 110 179.056 179.056 178.924 0.132 18229 630 1 1 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.886 -0.066 18229 631 1 1 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.034 -0.235 18229 632 1 1 . 1 1 110 110 ARG H H 110 7.450 7.450 8.063 -0.613 18229 633 1 1 . 1 1 111 111 TYR N N 111 117.972 117.972 119.664 -1.692 18229 634 1 1 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.361 0.345 18229 635 1 1 . 1 1 111 111 TYR C C 111 177.853 177.853 177.978 -0.125 18229 636 1 1 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.682 0.931 18229 637 1 1 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.583 -0.275 18229 638 1 1 . 1 1 111 111 TYR H H 111 7.558 7.558 8.415 -0.857 18229 639 1 1 . 1 1 112 112 LYS N N 112 120.615 120.615 118.588 2.027 18229 640 1 1 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.214 0.167 18229 641 1 1 . 1 1 112 112 LYS C C 112 177.893 177.893 177.896 -0.003 18229 642 1 1 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.575 0.014 18229 643 1 1 . 1 1 112 112 LYS CB C 112 32.603 32.603 31.918 0.686 18229 644 1 1 . 1 1 112 112 LYS H H 112 8.080 8.080 7.479 0.601 18229 645 1 1 . 1 1 113 113 ASP N N 113 120.325 120.325 119.860 0.465 18229 646 1 1 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.486 0.158 18229 647 1 1 . 1 1 113 113 ASP C C 113 176.950 176.950 177.512 -0.562 18229 648 1 1 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.572 -1.309 18229 649 1 1 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.572 0.319 18229 650 1 1 . 1 1 113 113 ASP H H 113 8.191 8.191 8.500 -0.309 18229 651 1 1 . 1 1 114 114 ALA N N 114 122.906 122.906 120.354 2.552 18229 652 1 1 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.348 0.000 18229 653 1 1 . 1 1 114 114 ALA C C 114 178.055 178.055 177.869 0.186 18229 654 1 1 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.163 1.011 18229 655 1 1 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.564 -0.464 18229 656 1 1 . 1 1 114 114 ALA H H 114 7.900 7.900 7.662 0.238 18229 657 1 2 . 1 1 2 2 SER N N 2 113.055 113.055 117.948 -4.893 18229 658 1 2 . 1 1 2 2 SER HA H 2 4.418 4.418 4.461 -0.043 18229 659 1 2 . 1 1 2 2 SER C C 2 174.994 174.994 175.060 -0.066 18229 660 1 2 . 1 1 2 2 SER CA C 2 58.540 58.540 58.561 -0.021 18229 661 1 2 . 1 1 2 2 SER CB C 2 63.748 63.748 63.372 0.376 18229 662 1 2 . 1 1 2 2 SER H H 2 8.061 8.061 8.376 -0.315 18229 663 1 2 . 1 1 3 3 HIS N N 3 119.062 119.062 118.905 0.157 18229 664 1 2 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.594 0.141 18229 665 1 2 . 1 1 3 3 HIS C C 3 173.417 173.417 173.914 -0.497 18229 666 1 2 . 1 1 3 3 HIS CA C 3 55.304 55.304 56.135 -0.831 18229 667 1 2 . 1 1 3 3 HIS CB C 3 29.547 29.547 30.102 -0.555 18229 668 1 2 . 1 1 3 3 HIS H H 3 8.410 8.410 8.269 0.141 18229 669 1 2 . 1 1 4 4 SER N N 4 113.520 113.520 112.018 1.502 18229 670 1 2 . 1 1 4 4 SER HA H 4 5.516 5.516 4.886 0.630 18229 671 1 2 . 1 1 4 4 SER C C 4 173.602 173.602 172.737 0.865 18229 672 1 2 . 1 1 4 4 SER CA C 4 57.005 57.005 57.263 -0.258 18229 673 1 2 . 1 1 4 4 SER CB C 4 65.989 65.989 66.656 -0.667 18229 674 1 2 . 1 1 4 4 SER H H 4 7.817 7.817 7.532 0.285 18229 675 1 2 . 1 1 5 5 GLY N N 5 106.959 106.959 106.371 0.588 18229 676 1 2 . 1 1 5 5 GLY C C 5 171.058 171.058 171.770 -0.712 18229 677 1 2 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.175 0.296 18229 678 1 2 . 1 1 5 5 GLY H H 5 8.356 8.356 9.090 -0.734 18229 679 1 2 . 1 1 6 6 ALA N N 6 125.264 125.264 122.147 3.117 18229 680 1 2 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.820 0.141 18229 681 1 2 . 1 1 6 6 ALA C C 6 176.831 176.831 175.198 1.633 18229 682 1 2 . 1 1 6 6 ALA CA C 6 52.745 52.745 50.717 2.028 18229 683 1 2 . 1 1 6 6 ALA CB C 6 19.380 19.380 21.586 -2.206 18229 684 1 2 . 1 1 6 6 ALA H H 6 8.641 8.641 8.570 0.071 18229 685 1 2 . 1 1 7 7 ALA N N 7 119.937 119.937 123.830 -3.893 18229 686 1 2 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.323 0.332 18229 687 1 2 . 1 1 7 7 ALA C C 7 176.683 176.683 175.363 1.320 18229 688 1 2 . 1 1 7 7 ALA CA C 7 51.745 51.745 49.832 1.913 18229 689 1 2 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.634 2.403 18229 690 1 2 . 1 1 7 7 ALA H H 7 8.370 8.370 8.323 0.047 18229 691 1 2 . 1 1 8 8 ILE N N 8 125.430 125.430 119.462 5.968 18229 692 1 2 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.161 -0.166 18229 693 1 2 . 1 1 8 8 ILE C C 8 175.310 175.310 174.953 0.357 18229 694 1 2 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.376 1.576 18229 695 1 2 . 1 1 8 8 ILE CB C 8 39.687 39.687 37.809 1.878 18229 696 1 2 . 1 1 8 8 ILE H H 8 9.349 9.349 8.296 1.053 18229 697 1 2 . 1 1 9 9 PHE N N 9 128.906 128.906 128.175 0.731 18229 698 1 2 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.610 -0.318 18229 699 1 2 . 1 1 9 9 PHE C C 9 173.925 173.925 174.930 -1.005 18229 700 1 2 . 1 1 9 9 PHE CA C 9 56.271 56.271 54.016 2.255 18229 701 1 2 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.098 0.469 18229 702 1 2 . 1 1 9 9 PHE H H 9 8.450 8.450 8.853 -0.403 18229 703 1 2 . 1 1 10 10 GLU N N 10 126.509 126.509 128.221 -1.712 18229 704 1 2 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.894 -0.690 18229 705 1 2 . 1 1 10 10 GLU C C 10 175.157 175.157 175.328 -0.171 18229 706 1 2 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.670 -0.891 18229 707 1 2 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.690 -1.241 18229 708 1 2 . 1 1 10 10 GLU H H 10 8.749 8.749 9.255 -0.506 18229 709 1 2 . 1 1 11 11 LYS N N 11 105.729 105.729 111.870 -6.141 18229 710 1 2 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.904 -0.501 18229 711 1 2 . 1 1 11 11 LYS C C 11 175.543 175.543 175.409 0.134 18229 712 1 2 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.835 0.719 18229 713 1 2 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.282 -1.105 18229 714 1 2 . 1 1 11 11 LYS H H 11 7.931 7.931 8.469 -0.538 18229 715 1 2 . 1 1 12 12 VAL N N 12 123.753 123.753 120.822 2.931 18229 716 1 2 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.235 0.182 18229 717 1 2 . 1 1 12 12 VAL C C 12 175.120 175.120 175.131 -0.011 18229 718 1 2 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.312 0.460 18229 719 1 2 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.430 -0.149 18229 720 1 2 . 1 1 12 12 VAL H H 12 7.901 7.901 7.171 0.730 18229 721 1 2 . 1 1 13 13 SER N N 13 121.941 121.941 120.464 1.477 18229 722 1 2 . 1 1 13 13 SER HA H 13 4.627 4.627 5.201 -0.574 18229 723 1 2 . 1 1 13 13 SER C C 13 175.339 175.339 173.851 1.488 18229 724 1 2 . 1 1 13 13 SER CA C 13 59.813 59.813 57.724 2.088 18229 725 1 2 . 1 1 13 13 SER CB C 13 63.763 63.763 64.175 -0.412 18229 726 1 2 . 1 1 13 13 SER H H 13 8.876 8.876 8.648 0.228 18229 727 1 2 . 1 1 14 14 GLY N N 14 113.199 113.199 113.383 -0.184 18229 728 1 2 . 1 1 14 14 GLY C C 14 172.742 172.742 172.825 -0.083 18229 729 1 2 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.621 1.899 18229 730 1 2 . 1 1 14 14 GLY H H 14 8.277 8.277 8.661 -0.384 18229 731 1 2 . 1 1 15 15 ILE N N 15 123.240 123.240 120.286 2.954 18229 732 1 2 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.455 0.355 18229 733 1 2 . 1 1 15 15 ILE C C 15 175.370 175.370 173.968 1.402 18229 734 1 2 . 1 1 15 15 ILE CA C 15 59.320 59.320 59.276 0.044 18229 735 1 2 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.528 0.078 18229 736 1 2 . 1 1 15 15 ILE H H 15 8.298 8.298 8.178 0.120 18229 737 1 2 . 1 1 16 16 ILE N N 16 127.865 127.865 125.804 2.061 18229 738 1 2 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.457 0.543 18229 739 1 2 . 1 1 16 16 ILE C C 16 173.119 173.119 174.053 -0.934 18229 740 1 2 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.715 0.040 18229 741 1 2 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.692 1.176 18229 742 1 2 . 1 1 16 16 ILE H H 16 9.428 9.428 9.164 0.264 18229 743 1 2 . 1 1 17 17 ALA N N 17 127.742 127.742 129.976 -2.234 18229 744 1 2 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.844 0.230 18229 745 1 2 . 1 1 17 17 ALA C C 17 176.203 176.203 175.907 0.296 18229 746 1 2 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.203 0.188 18229 747 1 2 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.474 0.716 18229 748 1 2 . 1 1 17 17 ALA H H 17 8.966 8.966 7.757 1.209 18229 749 1 2 . 1 1 18 18 ILE N N 18 122.269 122.269 125.057 -2.788 18229 750 1 2 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.197 0.424 18229 751 1 2 . 1 1 18 18 ILE C C 18 174.306 174.306 175.445 -1.139 18229 752 1 2 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.201 -0.701 18229 753 1 2 . 1 1 18 18 ILE CB C 18 39.147 39.147 38.998 0.149 18229 754 1 2 . 1 1 18 18 ILE H H 18 8.672 8.672 8.446 0.226 18229 755 1 2 . 1 1 19 19 ASN N N 19 127.575 127.575 126.414 1.161 18229 756 1 2 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.760 0.302 18229 757 1 2 . 1 1 19 19 ASN C C 19 174.730 174.730 174.894 -0.164 18229 758 1 2 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.312 -0.583 18229 759 1 2 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.710 -0.214 18229 760 1 2 . 1 1 19 19 ASN H H 19 9.350 9.350 8.995 0.355 18229 761 1 2 . 1 1 20 20 GLU N N 20 121.547 121.547 123.815 -2.268 18229 762 1 2 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.141 0.536 18229 763 1 2 . 1 1 20 20 GLU C C 20 176.091 176.091 175.798 0.293 18229 764 1 2 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.649 -1.847 18229 765 1 2 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.706 0.966 18229 766 1 2 . 1 1 20 20 GLU H H 20 9.037 9.037 8.130 0.907 18229 767 1 2 . 1 1 21 21 ASP N N 21 121.086 121.086 118.415 2.671 18229 768 1 2 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.603 0.026 18229 769 1 2 . 1 1 21 21 ASP C C 21 175.651 175.651 176.646 -0.995 18229 770 1 2 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.497 1.002 18229 771 1 2 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.594 -0.044 18229 772 1 2 . 1 1 21 21 ASP H H 21 8.706 8.706 8.445 0.261 18229 773 1 2 . 1 1 22 22 VAL N N 22 113.108 113.108 118.172 -5.064 18229 774 1 2 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.303 0.013 18229 775 1 2 . 1 1 22 22 VAL C C 22 173.407 173.407 175.080 -1.673 18229 776 1 2 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.942 -0.789 18229 777 1 2 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.307 0.722 18229 778 1 2 . 1 1 22 22 VAL H H 22 6.819 6.819 7.287 -0.468 18229 779 1 2 . 1 1 23 23 SER N N 23 115.009 115.009 113.399 1.610 18229 780 1 2 . 1 1 23 23 SER HA H 23 4.735 4.735 4.659 0.076 18229 781 1 2 . 1 1 23 23 SER CA C 23 53.848 53.848 57.202 -3.354 18229 782 1 2 . 1 1 23 23 SER CB C 23 64.810 64.810 62.689 2.121 18229 783 1 2 . 1 1 23 23 SER H H 23 8.032 8.032 8.012 0.020 18229 784 1 2 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.373 0.411 18229 785 1 2 . 1 1 24 24 PRO C C 24 174.825 174.825 176.088 -1.263 18229 786 1 2 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.469 0.379 18229 787 1 2 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.347 2.454 18229 788 1 2 . 1 1 25 25 ALA N N 25 120.477 120.477 122.035 -1.558 18229 789 1 2 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.350 0.165 18229 790 1 2 . 1 1 25 25 ALA C C 25 175.878 175.878 176.561 -0.683 18229 791 1 2 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.000 0.608 18229 792 1 2 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.168 0.286 18229 793 1 2 . 1 1 25 25 ALA H H 25 8.013 8.013 8.237 -0.224 18229 794 1 2 . 1 1 26 26 GLU N N 26 115.417 115.417 114.489 0.928 18229 795 1 2 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.141 -0.070 18229 796 1 2 . 1 1 26 26 GLU C C 26 174.599 174.599 174.897 -0.298 18229 797 1 2 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.628 -1.641 18229 798 1 2 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.611 1.654 18229 799 1 2 . 1 1 26 26 GLU H H 26 7.821 7.821 7.968 -0.147 18229 800 1 2 . 1 1 27 27 LEU N N 27 124.622 124.622 122.428 2.194 18229 801 1 2 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.342 -0.304 18229 802 1 2 . 1 1 27 27 LEU C C 27 174.704 174.704 176.001 -1.297 18229 803 1 2 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.517 0.240 18229 804 1 2 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.207 1.439 18229 805 1 2 . 1 1 27 27 LEU H H 27 8.863 8.863 9.085 -0.222 18229 806 1 2 . 1 1 28 28 THR N N 28 121.755 121.755 121.143 0.612 18229 807 1 2 . 1 1 28 28 THR HA H 28 5.152 5.152 5.024 0.128 18229 808 1 2 . 1 1 28 28 THR C C 28 172.573 172.573 173.529 -0.956 18229 809 1 2 . 1 1 28 28 THR CA C 28 61.452 61.452 62.445 -0.993 18229 810 1 2 . 1 1 28 28 THR CB C 28 71.480 71.480 69.415 2.065 18229 811 1 2 . 1 1 28 28 THR H H 28 9.276 9.276 9.146 0.130 18229 812 1 2 . 1 1 29 29 TRP N N 29 128.764 128.764 131.685 -2.921 18229 813 1 2 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.175 0.273 18229 814 1 2 . 1 1 29 29 TRP C C 29 173.881 173.881 174.581 -0.700 18229 815 1 2 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.409 -0.619 18229 816 1 2 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.377 0.953 18229 817 1 2 . 1 1 29 29 TRP H H 29 9.383 9.383 9.616 -0.233 18229 818 1 2 . 1 1 30 30 ARG N N 30 126.417 126.417 127.563 -1.146 18229 819 1 2 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.872 -0.065 18229 820 1 2 . 1 1 30 30 ARG C C 30 174.712 174.712 175.414 -0.702 18229 821 1 2 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.346 0.122 18229 822 1 2 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.101 0.717 18229 823 1 2 . 1 1 30 30 ARG H H 30 7.579 7.579 9.049 -1.470 18229 824 1 2 . 1 1 31 31 SER N N 31 118.415 118.415 118.673 -0.258 18229 825 1 2 . 1 1 31 31 SER HA H 31 4.480 4.480 3.783 0.697 18229 826 1 2 . 1 1 31 31 SER C C 31 176.360 176.360 175.302 1.058 18229 827 1 2 . 1 1 31 31 SER CA C 31 58.070 58.070 60.041 -1.971 18229 828 1 2 . 1 1 31 31 SER CB C 31 64.272 64.272 63.870 0.402 18229 829 1 2 . 1 1 31 31 SER H H 31 8.078 8.078 8.585 -0.507 18229 830 1 2 . 1 1 32 32 THR N N 32 119.175 119.175 116.756 2.419 18229 831 1 2 . 1 1 32 32 THR HA H 32 3.847 3.847 4.142 -0.295 18229 832 1 2 . 1 1 32 32 THR C C 32 175.602 175.602 175.174 0.428 18229 833 1 2 . 1 1 32 32 THR CA C 32 66.265 66.265 64.967 1.298 18229 834 1 2 . 1 1 32 32 THR CB C 32 68.557 68.557 68.855 -0.298 18229 835 1 2 . 1 1 32 32 THR H H 32 8.520 8.520 8.437 0.083 18229 836 1 2 . 1 1 33 33 ASP N N 33 117.286 117.286 120.024 -2.738 18229 837 1 2 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.597 0.020 18229 838 1 2 . 1 1 33 33 ASP C C 33 177.056 177.056 176.556 0.500 18229 839 1 2 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.399 -0.174 18229 840 1 2 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.695 -0.817 18229 841 1 2 . 1 1 33 33 ASP H H 33 8.223 8.223 8.347 -0.124 18229 842 1 2 . 1 1 34 34 GLY N N 34 109.197 109.197 107.453 1.744 18229 843 1 2 . 1 1 34 34 GLY C C 34 173.762 173.762 174.240 -0.478 18229 844 1 2 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.189 0.210 18229 845 1 2 . 1 1 34 34 GLY H H 34 7.914 7.914 8.113 -0.199 18229 846 1 2 . 1 1 35 35 ASP N N 35 118.081 118.081 117.505 0.576 18229 847 1 2 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.501 0.018 18229 848 1 2 . 1 1 35 35 ASP C C 35 175.366 175.366 176.607 -1.241 18229 849 1 2 . 1 1 35 35 ASP CA C 35 54.860 54.860 54.807 0.053 18229 850 1 2 . 1 1 35 35 ASP CB C 35 40.973 40.973 40.993 -0.020 18229 851 1 2 . 1 1 35 35 ASP H H 35 8.238 8.238 8.281 -0.043 18229 852 1 2 . 1 1 36 36 LYS N N 36 120.362 120.362 116.818 3.544 18229 853 1 2 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.497 0.337 18229 854 1 2 . 1 1 36 36 LYS C C 36 174.568 174.568 173.566 1.002 18229 855 1 2 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.384 0.152 18229 856 1 2 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.578 0.201 18229 857 1 2 . 1 1 36 36 LYS H H 36 7.749 7.749 7.774 -0.025 18229 858 1 2 . 1 1 37 37 VAL N N 37 121.758 121.758 121.149 0.609 18229 859 1 2 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.413 -0.142 18229 860 1 2 . 1 1 37 37 VAL C C 37 175.209 175.209 174.349 0.860 18229 861 1 2 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.997 -0.734 18229 862 1 2 . 1 1 37 37 VAL CB C 37 35.983 35.983 34.886 1.097 18229 863 1 2 . 1 1 37 37 VAL H H 37 8.526 8.526 8.597 -0.071 18229 864 1 2 . 1 1 38 38 HIS N N 38 126.087 126.087 128.159 -2.072 18229 865 1 2 . 1 1 38 38 HIS HA H 38 5.021 5.021 5.117 -0.096 18229 866 1 2 . 1 1 38 38 HIS C C 38 173.116 173.116 174.642 -1.526 18229 867 1 2 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.567 1.241 18229 868 1 2 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.047 0.936 18229 869 1 2 . 1 1 38 38 HIS H H 38 9.633 9.633 9.921 -0.288 18229 870 1 2 . 1 1 39 39 THR N N 39 124.455 124.455 120.481 3.974 18229 871 1 2 . 1 1 39 39 THR HA H 39 5.155 5.155 5.011 0.144 18229 872 1 2 . 1 1 39 39 THR C C 39 173.102 173.102 173.379 -0.277 18229 873 1 2 . 1 1 39 39 THR CA C 39 61.637 61.637 62.096 -0.459 18229 874 1 2 . 1 1 39 39 THR CB C 39 70.716 70.716 69.674 1.042 18229 875 1 2 . 1 1 39 39 THR H H 39 8.415 8.415 8.683 -0.268 18229 876 1 2 . 1 1 40 40 VAL N N 40 126.066 126.066 125.842 0.224 18229 877 1 2 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.271 -0.318 18229 878 1 2 . 1 1 40 40 VAL C C 40 174.693 174.693 173.981 0.712 18229 879 1 2 . 1 1 40 40 VAL CA C 40 60.348 60.348 59.846 0.502 18229 880 1 2 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.735 -1.461 18229 881 1 2 . 1 1 40 40 VAL H H 40 9.387 9.387 9.258 0.129 18229 882 1 2 . 1 1 41 41 VAL N N 41 129.775 129.775 128.521 1.254 18229 883 1 2 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.526 -0.538 18229 884 1 2 . 1 1 41 41 VAL C C 41 179.424 179.424 176.799 2.625 18229 885 1 2 . 1 1 41 41 VAL CA C 41 63.744 63.744 59.528 4.216 18229 886 1 2 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.175 0.776 18229 887 1 2 . 1 1 41 41 VAL H H 41 9.021 9.021 8.674 0.347 18229 888 1 2 . 1 1 42 42 LEU N N 42 129.645 129.645 127.455 2.190 18229 889 1 2 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.067 -0.094 18229 890 1 2 . 1 1 42 42 LEU C C 42 176.259 176.259 177.882 -1.623 18229 891 1 2 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.761 0.882 18229 892 1 2 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.182 -0.354 18229 893 1 2 . 1 1 42 42 LEU H H 42 9.147 9.147 8.538 0.609 18229 894 1 2 . 1 1 43 43 SER N N 43 110.158 110.158 111.146 -0.988 18229 895 1 2 . 1 1 43 43 SER HA H 43 4.310 4.310 4.109 0.201 18229 896 1 2 . 1 1 43 43 SER C C 43 175.263 175.263 175.889 -0.626 18229 897 1 2 . 1 1 43 43 SER CA C 43 59.620 59.620 60.489 -0.869 18229 898 1 2 . 1 1 43 43 SER CB C 43 61.543 61.543 63.413 -1.870 18229 899 1 2 . 1 1 43 43 SER H H 43 7.006 7.006 8.052 -1.046 18229 900 1 2 . 1 1 44 44 THR N N 44 110.206 110.206 114.039 -3.833 18229 901 1 2 . 1 1 44 44 THR HA H 44 4.504 4.504 4.186 0.318 18229 902 1 2 . 1 1 44 44 THR C C 44 173.489 173.489 175.402 -1.913 18229 903 1 2 . 1 1 44 44 THR CA C 44 62.024 62.024 63.750 -1.726 18229 904 1 2 . 1 1 44 44 THR CB C 44 69.805 69.805 68.980 0.825 18229 905 1 2 . 1 1 44 44 THR H H 44 7.571 7.571 7.688 -0.117 18229 906 1 2 . 1 1 45 45 ILE N N 45 120.322 120.322 123.651 -3.329 18229 907 1 2 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.135 0.132 18229 908 1 2 . 1 1 45 45 ILE C C 45 174.103 174.103 176.185 -2.082 18229 909 1 2 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.744 -3.774 18229 910 1 2 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.981 0.579 18229 911 1 2 . 1 1 45 45 ILE H H 45 6.975 6.975 7.986 -1.011 18229 912 1 2 . 1 1 46 46 ASP N N 46 126.492 126.492 127.350 -0.858 18229 913 1 2 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.360 0.351 18229 914 1 2 . 1 1 46 46 ASP C C 46 175.431 175.431 175.564 -0.133 18229 915 1 2 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.697 -1.864 18229 916 1 2 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.693 2.842 18229 917 1 2 . 1 1 46 46 ASP H H 46 9.262 9.262 8.767 0.495 18229 918 1 2 . 1 1 47 47 LYS N N 47 112.726 112.726 113.098 -0.372 18229 919 1 2 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.468 0.239 18229 920 1 2 . 1 1 47 47 LYS C C 47 172.673 172.673 173.776 -1.103 18229 921 1 2 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.583 -0.762 18229 922 1 2 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.485 2.124 18229 923 1 2 . 1 1 47 47 LYS H H 47 7.572 7.572 7.456 0.116 18229 924 1 2 . 1 1 48 48 LEU N N 48 124.840 124.840 123.404 1.436 18229 925 1 2 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.922 0.129 18229 926 1 2 . 1 1 48 48 LEU C C 48 173.965 173.965 175.892 -1.927 18229 927 1 2 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.072 -1.052 18229 928 1 2 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.517 2.047 18229 929 1 2 . 1 1 48 48 LEU H H 48 9.013 9.013 8.457 0.556 18229 930 1 2 . 1 1 49 49 GLN N N 49 121.648 121.648 125.392 -3.744 18229 931 1 2 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.778 0.740 18229 932 1 2 . 1 1 49 49 GLN C C 49 174.700 174.700 173.995 0.705 18229 933 1 2 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.177 -0.578 18229 934 1 2 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.762 1.264 18229 935 1 2 . 1 1 49 49 GLN H H 49 9.260 9.260 9.410 -0.150 18229 936 1 2 . 1 1 50 50 ALA N N 50 122.020 122.020 123.913 -1.893 18229 937 1 2 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.285 0.462 18229 938 1 2 . 1 1 50 50 ALA C C 50 177.167 177.167 176.388 0.779 18229 939 1 2 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.128 -0.536 18229 940 1 2 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.373 1.990 18229 941 1 2 . 1 1 50 50 ALA H H 50 9.286 9.286 8.360 0.926 18229 942 1 2 . 1 1 51 51 THR N N 51 114.222 114.222 115.397 -1.175 18229 943 1 2 . 1 1 51 51 THR HA H 51 4.735 4.735 4.590 0.145 18229 944 1 2 . 1 1 51 51 THR CA C 51 59.228 59.228 60.643 -1.415 18229 945 1 2 . 1 1 51 51 THR CB C 51 67.954 67.954 68.533 -0.579 18229 946 1 2 . 1 1 51 51 THR H H 51 8.340 8.340 9.040 -0.700 18229 947 1 2 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.536 0.034 18229 948 1 2 . 1 1 52 52 PRO C C 52 178.621 178.621 177.868 0.753 18229 949 1 2 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.209 0.219 18229 950 1 2 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.660 0.059 18229 951 1 2 . 1 1 53 53 ALA N N 53 126.566 126.566 123.163 3.403 18229 952 1 2 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.018 0.037 18229 953 1 2 . 1 1 53 53 ALA C C 53 177.578 177.578 179.637 -2.059 18229 954 1 2 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.897 -0.077 18229 955 1 2 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.649 -0.792 18229 956 1 2 . 1 1 53 53 ALA H H 53 9.109 9.109 8.545 0.564 18229 957 1 2 . 1 1 54 54 SER N N 54 107.184 107.184 110.961 -3.777 18229 958 1 2 . 1 1 54 54 SER HA H 54 4.235 4.235 4.318 -0.083 18229 959 1 2 . 1 1 54 54 SER C C 54 174.838 174.838 174.807 0.031 18229 960 1 2 . 1 1 54 54 SER CA C 54 58.116 58.116 58.702 -0.586 18229 961 1 2 . 1 1 54 54 SER CB C 54 63.021 63.021 63.192 -0.171 18229 962 1 2 . 1 1 54 54 SER H H 54 7.595 7.595 7.991 -0.396 18229 963 1 2 . 1 1 55 55 SER N N 55 117.098 117.098 118.222 -1.124 18229 964 1 2 . 1 1 55 55 SER HA H 55 4.484 4.484 4.407 0.077 18229 965 1 2 . 1 1 55 55 SER C C 55 174.833 174.833 174.819 0.014 18229 966 1 2 . 1 1 55 55 SER CA C 55 57.510 57.510 59.410 -1.900 18229 967 1 2 . 1 1 55 55 SER CB C 55 64.121 64.121 63.800 0.321 18229 968 1 2 . 1 1 55 55 SER H H 55 7.613 7.613 7.948 -0.335 18229 969 1 2 . 1 1 56 56 GLU N N 56 125.258 125.258 125.018 0.240 18229 970 1 2 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.101 0.028 18229 971 1 2 . 1 1 56 56 GLU C C 56 177.852 177.852 176.080 1.772 18229 972 1 2 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.103 -0.492 18229 973 1 2 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.753 -0.329 18229 974 1 2 . 1 1 56 56 GLU H H 56 8.849 8.849 8.787 0.062 18229 975 1 2 . 1 1 57 57 LYS N N 57 119.058 119.058 116.948 2.110 18229 976 1 2 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.614 -0.315 18229 977 1 2 . 1 1 57 57 LYS C C 57 175.699 175.699 175.975 -0.276 18229 978 1 2 . 1 1 57 57 LYS CA C 57 55.645 55.645 54.434 1.211 18229 979 1 2 . 1 1 57 57 LYS CB C 57 33.270 33.270 31.654 1.616 18229 980 1 2 . 1 1 57 57 LYS H H 57 8.060 8.060 7.679 0.381 18229 981 1 2 . 1 1 58 58 MET N N 58 123.967 123.967 120.584 3.383 18229 982 1 2 . 1 1 58 58 MET HA H 58 4.345 4.345 4.397 -0.052 18229 983 1 2 . 1 1 58 58 MET C C 58 174.213 174.213 175.388 -1.175 18229 984 1 2 . 1 1 58 58 MET CA C 58 55.170 55.170 55.824 -0.654 18229 985 1 2 . 1 1 58 58 MET CB C 58 35.330 35.330 32.540 2.790 18229 986 1 2 . 1 1 58 58 MET H H 58 8.828 8.828 8.447 0.381 18229 987 1 2 . 1 1 59 59 MET N N 59 120.929 120.929 121.391 -0.462 18229 988 1 2 . 1 1 59 59 MET HA H 59 5.905 5.905 5.154 0.751 18229 989 1 2 . 1 1 59 59 MET C C 59 174.521 174.521 174.188 0.333 18229 990 1 2 . 1 1 59 59 MET CA C 59 55.038 55.038 55.545 -0.507 18229 991 1 2 . 1 1 59 59 MET CB C 59 39.549 39.549 37.681 1.868 18229 992 1 2 . 1 1 59 59 MET H H 59 8.528 8.528 9.379 -0.851 18229 993 1 2 . 1 1 60 60 LEU N N 60 117.623 117.623 122.166 -4.543 18229 994 1 2 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.172 0.493 18229 995 1 2 . 1 1 60 60 LEU C C 60 175.763 175.763 175.188 0.575 18229 996 1 2 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.840 -0.655 18229 997 1 2 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.093 2.468 18229 998 1 2 . 1 1 60 60 LEU H H 60 9.052 9.052 9.636 -0.584 18229 999 1 2 . 1 1 61 61 ARG N N 61 120.407 120.407 121.839 -1.432 18229 1000 1 2 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.691 -0.220 18229 1001 1 2 . 1 1 61 61 ARG C C 61 173.286 173.286 173.977 -0.691 18229 1002 1 2 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.305 0.626 18229 1003 1 2 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.468 -0.133 18229 1004 1 2 . 1 1 61 61 ARG H H 61 9.180 9.180 9.548 -0.368 18229 1005 1 2 . 1 1 62 62 LEU N N 62 126.471 126.471 125.298 1.173 18229 1006 1 2 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.155 0.043 18229 1007 1 2 . 1 1 62 62 LEU C C 62 175.447 175.447 176.031 -0.584 18229 1008 1 2 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.310 0.098 18229 1009 1 2 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.972 -1.539 18229 1010 1 2 . 1 1 62 62 LEU H H 62 9.203 9.203 8.933 0.270 18229 1011 1 2 . 1 1 63 63 ILE N N 63 123.282 123.282 124.161 -0.879 18229 1012 1 2 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.521 0.176 18229 1013 1 2 . 1 1 63 63 ILE C C 63 176.525 176.525 176.531 -0.006 18229 1014 1 2 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.556 0.120 18229 1015 1 2 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.657 1.048 18229 1016 1 2 . 1 1 63 63 ILE H H 63 8.983 8.983 9.046 -0.063 18229 1017 1 2 . 1 1 64 64 GLY N N 64 115.647 115.647 111.608 4.039 18229 1018 1 2 . 1 1 64 64 GLY C C 64 172.300 172.300 173.568 -1.268 18229 1019 1 2 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.555 2.107 18229 1020 1 2 . 1 1 64 64 GLY H H 64 9.372 9.372 8.335 1.037 18229 1021 1 2 . 1 1 65 65 LYS N N 65 119.107 119.107 123.239 -4.132 18229 1022 1 2 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.318 -0.012 18229 1023 1 2 . 1 1 65 65 LYS C C 65 177.404 177.404 176.016 1.388 18229 1024 1 2 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.318 -0.817 18229 1025 1 2 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.338 2.080 18229 1026 1 2 . 1 1 65 65 LYS H H 65 8.289 8.289 7.967 0.322 18229 1027 1 2 . 1 1 66 66 VAL N N 66 122.231 122.231 122.824 -0.593 18229 1028 1 2 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.188 -0.109 18229 1029 1 2 . 1 1 66 66 VAL C C 66 175.253 175.253 176.028 -0.775 18229 1030 1 2 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.080 1.056 18229 1031 1 2 . 1 1 66 66 VAL CB C 66 33.284 33.284 34.601 -1.317 18229 1032 1 2 . 1 1 66 66 VAL H H 66 8.607 8.607 8.153 0.454 18229 1033 1 2 . 1 1 67 67 ASP N N 67 125.538 125.538 124.999 0.539 18229 1034 1 2 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.881 -0.182 18229 1035 1 2 . 1 1 67 67 ASP C C 67 176.601 176.601 176.903 -0.302 18229 1036 1 2 . 1 1 67 67 ASP CA C 67 53.058 53.058 55.087 -2.029 18229 1037 1 2 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.868 0.004 18229 1038 1 2 . 1 1 67 67 ASP H H 67 8.457 8.457 8.912 -0.455 18229 1039 1 2 . 1 1 68 68 GLU N N 68 124.433 124.433 119.115 5.318 18229 1040 1 2 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.045 0.079 18229 1041 1 2 . 1 1 68 68 GLU C C 68 177.344 177.344 177.334 0.010 18229 1042 1 2 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.556 -0.921 18229 1043 1 2 . 1 1 68 68 GLU CB C 68 29.680 29.680 28.863 0.818 18229 1044 1 2 . 1 1 68 68 GLU H H 68 8.712 8.712 8.388 0.324 18229 1045 1 2 . 1 1 69 69 SER N N 69 115.596 115.596 113.491 2.105 18229 1046 1 2 . 1 1 69 69 SER HA H 69 4.328 4.328 4.249 0.079 18229 1047 1 2 . 1 1 69 69 SER C C 69 175.180 175.180 175.421 -0.241 18229 1048 1 2 . 1 1 69 69 SER CA C 69 60.146 60.146 60.547 -0.401 18229 1049 1 2 . 1 1 69 69 SER CB C 69 63.383 63.383 63.042 0.341 18229 1050 1 2 . 1 1 69 69 SER H H 69 8.467 8.467 8.258 0.209 18229 1051 1 2 . 1 1 70 70 LYS N N 70 121.738 121.738 119.502 2.236 18229 1052 1 2 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.267 0.139 18229 1053 1 2 . 1 1 70 70 LYS C C 70 176.165 176.165 176.363 -0.198 18229 1054 1 2 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.541 -1.131 18229 1055 1 2 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.115 -0.615 18229 1056 1 2 . 1 1 70 70 LYS H H 70 7.675 7.675 7.342 0.333 18229 1057 1 2 . 1 1 71 71 LYS N N 71 121.087 121.087 117.674 3.413 18229 1058 1 2 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.146 0.262 18229 1059 1 2 . 1 1 71 71 LYS C C 71 176.134 176.134 175.585 0.549 18229 1060 1 2 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.924 -0.319 18229 1061 1 2 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.742 1.540 18229 1062 1 2 . 1 1 71 71 LYS H H 71 7.739 7.739 7.954 -0.215 18229 1063 1 2 . 1 1 72 72 ARG N N 72 122.147 122.147 121.194 0.953 18229 1064 1 2 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.352 0.232 18229 1065 1 2 . 1 1 72 72 ARG C C 72 175.217 175.217 175.920 -0.703 18229 1066 1 2 . 1 1 72 72 ARG CA C 72 55.041 55.041 55.527 -0.486 18229 1067 1 2 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.284 0.070 18229 1068 1 2 . 1 1 72 72 ARG H H 72 8.402 8.402 8.356 0.046 18229 1069 1 2 . 1 1 73 73 LYS N N 73 121.242 121.242 118.976 2.266 18229 1070 1 2 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.746 0.153 18229 1071 1 2 . 1 1 73 73 LYS C C 73 176.966 176.966 175.327 1.639 18229 1072 1 2 . 1 1 73 73 LYS CA C 73 55.365 55.365 54.585 0.780 18229 1073 1 2 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.737 -0.106 18229 1074 1 2 . 1 1 73 73 LYS H H 73 8.386 8.386 8.261 0.125 18229 1075 1 2 . 1 1 74 74 ASP N N 74 122.007 122.007 118.653 3.354 18229 1076 1 2 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.900 -0.249 18229 1077 1 2 . 1 1 74 74 ASP C C 74 177.401 177.401 176.365 1.036 18229 1078 1 2 . 1 1 74 74 ASP CA C 74 52.840 52.840 52.657 0.183 18229 1079 1 2 . 1 1 74 74 ASP CB C 74 41.008 41.008 43.279 -2.271 18229 1080 1 2 . 1 1 74 74 ASP H H 74 8.559 8.559 8.217 0.342 18229 1081 1 2 . 1 1 75 75 ASN N N 75 116.263 116.263 117.713 -1.450 18229 1082 1 2 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.537 -0.002 18229 1083 1 2 . 1 1 75 75 ASN C C 75 175.944 175.944 175.497 0.447 18229 1084 1 2 . 1 1 75 75 ASN CA C 75 54.877 54.877 54.859 0.018 18229 1085 1 2 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.777 -0.667 18229 1086 1 2 . 1 1 75 75 ASN H H 75 8.414 8.414 8.350 0.064 18229 1087 1 2 . 1 1 76 76 GLU N N 76 118.940 118.940 117.514 1.426 18229 1088 1 2 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.406 -0.013 18229 1089 1 2 . 1 1 76 76 GLU C C 76 176.512 176.512 176.087 0.425 18229 1090 1 2 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.485 0.681 18229 1091 1 2 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.023 0.987 18229 1092 1 2 . 1 1 76 76 GLU H H 76 8.133 8.133 7.976 0.157 18229 1093 1 2 . 1 1 77 77 GLY N N 77 108.056 108.056 108.846 -0.790 18229 1094 1 2 . 1 1 77 77 GLY C C 77 174.193 174.193 174.097 0.096 18229 1095 1 2 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.933 -0.646 18229 1096 1 2 . 1 1 77 77 GLY H H 77 8.083 8.083 7.910 0.173 18229 1097 1 2 . 1 1 78 78 ASN N N 78 119.896 119.896 117.594 2.302 18229 1098 1 2 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.590 0.152 18229 1099 1 2 . 1 1 78 78 ASN C C 78 175.006 175.006 174.717 0.289 18229 1100 1 2 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.602 -0.775 18229 1101 1 2 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.521 -0.525 18229 1102 1 2 . 1 1 78 78 ASN H H 78 8.537 8.537 8.123 0.414 18229 1103 1 2 . 1 1 79 79 GLU N N 79 121.648 121.648 118.335 3.313 18229 1104 1 2 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.886 -0.415 18229 1105 1 2 . 1 1 79 79 GLU C C 79 176.268 176.268 176.458 -0.190 18229 1106 1 2 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.531 1.079 18229 1107 1 2 . 1 1 79 79 GLU CB C 79 30.307 30.307 32.034 -1.727 18229 1108 1 2 . 1 1 79 79 GLU H H 79 8.674 8.674 8.553 0.121 18229 1109 1 2 . 1 1 80 80 VAL N N 80 124.083 124.083 125.277 -1.194 18229 1110 1 2 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.054 0.194 18229 1111 1 2 . 1 1 80 80 VAL C C 80 175.537 175.537 175.974 -0.437 18229 1112 1 2 . 1 1 80 80 VAL CA C 80 61.465 61.465 63.509 -2.044 18229 1113 1 2 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.715 0.838 18229 1114 1 2 . 1 1 80 80 VAL H H 80 8.554 8.554 8.996 -0.442 18229 1115 1 2 . 1 1 81 81 VAL N N 81 126.640 126.640 119.557 7.083 18229 1116 1 2 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.816 0.611 18229 1117 1 2 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.555 -1.950 18229 1118 1 2 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.914 0.962 18229 1119 1 2 . 1 1 81 81 VAL H H 81 8.390 8.390 8.129 0.261 18229 1120 1 2 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.350 0.077 18229 1121 1 2 . 1 1 82 82 PRO C C 82 176.034 176.034 176.246 -0.212 18229 1122 1 2 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.452 -0.742 18229 1123 1 2 . 1 1 82 82 PRO CB C 82 32.352 32.352 31.807 0.545 18229 1124 1 2 . 1 1 83 83 LYS N N 83 121.719 121.719 123.896 -2.177 18229 1125 1 2 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.282 0.266 18229 1126 1 2 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.133 -1.277 18229 1127 1 2 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.667 0.663 18229 1128 1 2 . 1 1 83 83 LYS H H 83 8.308 8.308 8.219 0.089 18229 1129 1 2 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.524 -0.228 18229 1130 1 2 . 1 1 84 84 PRO C C 84 176.773 176.773 175.708 1.065 18229 1131 1 2 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.369 0.187 18229 1132 1 2 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.435 0.183 18229 1133 1 2 . 1 1 85 85 GLN N N 85 121.395 121.395 120.570 0.825 18229 1134 1 2 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.561 -0.420 18229 1135 1 2 . 1 1 85 85 GLN C C 85 174.940 174.940 174.730 0.210 18229 1136 1 2 . 1 1 85 85 GLN CA C 85 56.062 56.062 54.620 1.442 18229 1137 1 2 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.749 -0.019 18229 1138 1 2 . 1 1 85 85 GLN H H 85 8.464 8.464 8.512 -0.048 18229 1139 1 2 . 1 1 86 86 ARG N N 86 121.035 121.035 123.261 -2.226 18229 1140 1 2 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.807 0.320 18229 1141 1 2 . 1 1 86 86 ARG C C 86 175.052 175.052 175.691 -0.639 18229 1142 1 2 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.405 0.129 18229 1143 1 2 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.473 -0.140 18229 1144 1 2 . 1 1 86 86 ARG H H 86 8.248 8.248 8.482 -0.234 18229 1145 1 2 . 1 1 87 87 HIS N N 87 120.780 120.780 121.220 -0.440 18229 1146 1 2 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.456 0.226 18229 1147 1 2 . 1 1 87 87 HIS C C 87 173.558 173.558 173.627 -0.069 18229 1148 1 2 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.755 -0.563 18229 1149 1 2 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.354 2.700 18229 1150 1 2 . 1 1 87 87 HIS H H 87 8.659 8.659 8.998 -0.339 18229 1151 1 2 . 1 1 88 88 MET N N 88 126.780 126.780 123.621 3.159 18229 1152 1 2 . 1 1 88 88 MET HA H 88 5.283 5.283 4.323 0.960 18229 1153 1 2 . 1 1 88 88 MET C C 88 173.297 173.297 173.377 -0.080 18229 1154 1 2 . 1 1 88 88 MET CA C 88 54.835 54.835 54.549 0.286 18229 1155 1 2 . 1 1 88 88 MET CB C 88 35.794 35.794 33.330 2.464 18229 1156 1 2 . 1 1 88 88 MET H H 88 8.710 8.710 8.402 0.308 18229 1157 1 2 . 1 1 89 89 PHE N N 89 122.543 122.543 124.942 -2.399 18229 1158 1 2 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.136 0.059 18229 1159 1 2 . 1 1 89 89 PHE C C 89 174.410 174.410 174.820 -0.410 18229 1160 1 2 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.849 0.530 18229 1161 1 2 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.265 2.924 18229 1162 1 2 . 1 1 89 89 PHE H H 89 8.969 8.969 9.268 -0.299 18229 1163 1 2 . 1 1 90 90 SER N N 90 116.192 116.192 118.903 -2.711 18229 1164 1 2 . 1 1 90 90 SER HA H 90 5.696 5.696 4.847 0.849 18229 1165 1 2 . 1 1 90 90 SER C C 90 173.030 173.030 173.744 -0.714 18229 1166 1 2 . 1 1 90 90 SER CA C 90 56.771 56.771 57.432 -0.661 18229 1167 1 2 . 1 1 90 90 SER CB C 90 64.961 64.961 63.972 0.989 18229 1168 1 2 . 1 1 90 90 SER H H 90 8.657 8.657 8.350 0.307 18229 1169 1 2 . 1 1 91 91 PHE N N 91 120.710 120.710 125.937 -5.227 18229 1170 1 2 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.762 0.125 18229 1171 1 2 . 1 1 91 91 PHE C C 91 174.442 174.442 175.467 -1.025 18229 1172 1 2 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.557 -1.132 18229 1173 1 2 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.900 2.493 18229 1174 1 2 . 1 1 91 91 PHE H H 91 9.001 9.001 8.408 0.593 18229 1175 1 2 . 1 1 92 92 ASN N N 92 115.967 115.967 117.878 -1.911 18229 1176 1 2 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.857 0.250 18229 1177 1 2 . 1 1 92 92 ASN C C 92 174.835 174.835 174.017 0.818 18229 1178 1 2 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.894 -0.643 18229 1179 1 2 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.737 0.152 18229 1180 1 2 . 1 1 92 92 ASN H H 92 9.093 9.093 9.018 0.075 18229 1181 1 2 . 1 1 93 93 ASN N N 93 118.401 118.401 117.052 1.349 18229 1182 1 2 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.843 0.079 18229 1183 1 2 . 1 1 93 93 ASN C C 93 174.524 174.524 174.472 0.052 18229 1184 1 2 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.277 -0.264 18229 1185 1 2 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.434 1.327 18229 1186 1 2 . 1 1 93 93 ASN H H 93 7.252 7.252 7.902 -0.650 18229 1187 1 2 . 1 1 94 94 ARG N N 94 129.175 129.175 125.081 4.094 18229 1188 1 2 . 1 1 94 94 ARG HA H 94 3.865 3.865 3.907 -0.042 18229 1189 1 2 . 1 1 94 94 ARG C C 94 176.797 176.797 177.153 -0.356 18229 1190 1 2 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.483 -0.000 18229 1191 1 2 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.312 -0.183 18229 1192 1 2 . 1 1 94 94 ARG H H 94 9.309 9.309 8.863 0.446 18229 1193 1 2 . 1 1 95 95 THR N N 95 115.594 115.594 113.560 2.034 18229 1194 1 2 . 1 1 95 95 THR HA H 95 4.021 4.021 4.036 -0.015 18229 1195 1 2 . 1 1 95 95 THR C C 95 176.735 176.735 175.736 0.999 18229 1196 1 2 . 1 1 95 95 THR CA C 95 66.430 66.430 65.369 1.061 18229 1197 1 2 . 1 1 95 95 THR CB C 95 68.357 68.357 68.445 -0.088 18229 1198 1 2 . 1 1 95 95 THR H H 95 7.973 7.973 7.990 -0.017 18229 1199 1 2 . 1 1 96 96 VAL N N 96 121.833 121.833 121.686 0.147 18229 1200 1 2 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.785 -0.002 18229 1201 1 2 . 1 1 96 96 VAL C C 96 177.561 177.561 177.907 -0.346 18229 1202 1 2 . 1 1 96 96 VAL CA C 96 66.125 66.125 65.668 0.457 18229 1203 1 2 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.006 1.195 18229 1204 1 2 . 1 1 96 96 VAL H H 96 7.565 7.565 7.695 -0.130 18229 1205 1 2 . 1 1 97 97 MET N N 97 117.429 117.429 118.110 -0.681 18229 1206 1 2 . 1 1 97 97 MET HA H 97 4.551 4.551 3.356 1.195 18229 1207 1 2 . 1 1 97 97 MET C C 97 177.257 177.257 177.696 -0.439 18229 1208 1 2 . 1 1 97 97 MET CA C 97 59.753 59.753 58.545 1.208 18229 1209 1 2 . 1 1 97 97 MET CB C 97 32.515 32.515 31.413 1.102 18229 1210 1 2 . 1 1 97 97 MET H H 97 7.336 7.336 8.154 -0.818 18229 1211 1 2 . 1 1 98 98 ASP N N 98 118.159 118.159 120.015 -1.856 18229 1212 1 2 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.286 0.029 18229 1213 1 2 . 1 1 98 98 ASP C C 98 178.771 178.771 178.402 0.369 18229 1214 1 2 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.160 0.445 18229 1215 1 2 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.461 -0.796 18229 1216 1 2 . 1 1 98 98 ASP H H 98 8.712 8.712 8.273 0.439 18229 1217 1 2 . 1 1 99 99 ASN N N 99 120.354 120.354 117.459 2.895 18229 1218 1 2 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.562 -0.082 18229 1219 1 2 . 1 1 99 99 ASN C C 99 178.232 178.232 177.527 0.705 18229 1220 1 2 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.168 1.132 18229 1221 1 2 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.837 -0.389 18229 1222 1 2 . 1 1 99 99 ASN H H 99 8.084 8.084 7.594 0.490 18229 1223 1 2 . 1 1 100 100 ILE N N 100 120.990 120.990 122.531 -1.541 18229 1224 1 2 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.932 -0.295 18229 1225 1 2 . 1 1 100 100 ILE C C 100 177.463 177.463 177.789 -0.326 18229 1226 1 2 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.818 -1.045 18229 1227 1 2 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.344 -1.877 18229 1228 1 2 . 1 1 100 100 ILE H H 100 8.017 8.017 8.466 -0.449 18229 1229 1 2 . 1 1 101 101 LYS N N 101 120.814 120.814 119.940 0.874 18229 1230 1 2 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.853 -0.218 18229 1231 1 2 . 1 1 101 101 LYS C C 101 177.365 177.365 179.029 -1.664 18229 1232 1 2 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.896 0.740 18229 1233 1 2 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.251 0.740 18229 1234 1 2 . 1 1 101 101 LYS H H 101 8.944 8.944 8.387 0.557 18229 1235 1 2 . 1 1 102 102 MET N N 102 116.514 116.514 114.464 2.050 18229 1236 1 2 . 1 1 102 102 MET HA H 102 4.209 4.209 4.435 -0.226 18229 1237 1 2 . 1 1 102 102 MET C C 102 178.925 178.925 178.035 0.890 18229 1238 1 2 . 1 1 102 102 MET CA C 102 58.720 58.720 58.566 0.155 18229 1239 1 2 . 1 1 102 102 MET CB C 102 32.299 32.299 32.477 -0.178 18229 1240 1 2 . 1 1 102 102 MET H H 102 8.123 8.123 7.458 0.665 18229 1241 1 2 . 1 1 103 103 THR N N 103 118.583 118.583 118.119 0.464 18229 1242 1 2 . 1 1 103 103 THR HA H 103 3.882 3.882 4.124 -0.242 18229 1243 1 2 . 1 1 103 103 THR C C 103 176.474 176.474 176.974 -0.500 18229 1244 1 2 . 1 1 103 103 THR CA C 103 66.489 66.489 66.895 -0.406 18229 1245 1 2 . 1 1 103 103 THR CB C 103 67.864 67.864 69.060 -1.196 18229 1246 1 2 . 1 1 103 103 THR H H 103 7.768 7.768 7.584 0.184 18229 1247 1 2 . 1 1 104 104 LEU N N 104 119.575 119.575 121.127 -1.552 18229 1248 1 2 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.886 -0.004 18229 1249 1 2 . 1 1 104 104 LEU C C 104 177.935 177.935 178.988 -1.053 18229 1250 1 2 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.691 -0.716 18229 1251 1 2 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.472 0.850 18229 1252 1 2 . 1 1 104 104 LEU H H 104 8.537 8.537 8.774 -0.237 18229 1253 1 2 . 1 1 105 105 GLN N N 105 119.463 119.463 117.847 1.616 18229 1254 1 2 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.825 -0.116 18229 1255 1 2 . 1 1 105 105 GLN C C 105 178.507 178.507 178.451 0.056 18229 1256 1 2 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.262 0.478 18229 1257 1 2 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.385 0.254 18229 1258 1 2 . 1 1 105 105 GLN H H 105 8.736 8.736 7.671 1.065 18229 1259 1 2 . 1 1 106 106 GLN N N 106 118.984 118.984 117.662 1.322 18229 1260 1 2 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.974 0.002 18229 1261 1 2 . 1 1 106 106 GLN C C 106 178.454 178.454 178.543 -0.089 18229 1262 1 2 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.867 0.151 18229 1263 1 2 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.726 -0.274 18229 1264 1 2 . 1 1 106 106 GLN H H 106 7.689 7.689 7.966 -0.277 18229 1265 1 2 . 1 1 107 107 ILE N N 107 119.928 119.928 118.931 0.997 18229 1266 1 2 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.840 -0.377 18229 1267 1 2 . 1 1 107 107 ILE C C 107 177.492 177.492 177.877 -0.385 18229 1268 1 2 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.057 1.385 18229 1269 1 2 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.288 1.208 18229 1270 1 2 . 1 1 107 107 ILE H H 107 7.910 7.910 7.248 0.662 18229 1271 1 2 . 1 1 108 108 ILE N N 108 117.958 117.958 121.753 -3.795 18229 1272 1 2 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.443 2.316 18229 1273 1 2 . 1 1 108 108 ILE C C 108 178.625 178.625 177.739 0.886 18229 1274 1 2 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.671 0.908 18229 1275 1 2 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.629 1.623 18229 1276 1 2 . 1 1 108 108 ILE H H 108 8.767 8.767 8.184 0.583 18229 1277 1 2 . 1 1 109 109 SER N N 109 113.450 113.450 114.345 -0.895 18229 1278 1 2 . 1 1 109 109 SER HA H 109 4.271 4.271 3.935 0.336 18229 1279 1 2 . 1 1 109 109 SER C C 109 175.966 175.966 176.100 -0.134 18229 1280 1 2 . 1 1 109 109 SER CA C 109 62.205 62.205 61.416 0.789 18229 1281 1 2 . 1 1 109 109 SER CB C 109 63.094 63.094 62.430 0.664 18229 1282 1 2 . 1 1 109 109 SER H H 109 7.797 7.797 8.386 -0.589 18229 1283 1 2 . 1 1 110 110 ARG N N 110 120.739 120.739 121.860 -1.121 18229 1284 1 2 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.153 -0.034 18229 1285 1 2 . 1 1 110 110 ARG C C 110 179.056 179.056 178.579 0.477 18229 1286 1 2 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.793 0.027 18229 1287 1 2 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.128 -0.329 18229 1288 1 2 . 1 1 110 110 ARG H H 110 7.450 7.450 8.080 -0.630 18229 1289 1 2 . 1 1 111 111 TYR N N 111 117.972 117.972 119.902 -1.930 18229 1290 1 2 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.338 0.368 18229 1291 1 2 . 1 1 111 111 TYR C C 111 177.853 177.853 178.076 -0.223 18229 1292 1 2 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.299 0.314 18229 1293 1 2 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.574 -0.266 18229 1294 1 2 . 1 1 111 111 TYR H H 111 7.558 7.558 8.432 -0.874 18229 1295 1 2 . 1 1 112 112 LYS N N 112 120.615 120.615 118.302 2.313 18229 1296 1 2 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.184 0.197 18229 1297 1 2 . 1 1 112 112 LYS C C 112 177.893 177.893 177.887 0.006 18229 1298 1 2 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.531 0.058 18229 1299 1 2 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.027 0.576 18229 1300 1 2 . 1 1 112 112 LYS H H 112 8.080 8.080 7.481 0.599 18229 1301 1 2 . 1 1 113 113 ASP N N 113 120.325 120.325 120.138 0.187 18229 1302 1 2 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.492 0.152 18229 1303 1 2 . 1 1 113 113 ASP C C 113 176.950 176.950 177.283 -0.333 18229 1304 1 2 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.908 -0.645 18229 1305 1 2 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.870 0.021 18229 1306 1 2 . 1 1 113 113 ASP H H 113 8.191 8.191 8.242 -0.051 18229 1307 1 2 . 1 1 114 114 ALA N N 114 122.906 122.906 120.275 2.631 18229 1308 1 2 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.341 0.007 18229 1309 1 2 . 1 1 114 114 ALA C C 114 178.055 178.055 177.925 0.130 18229 1310 1 2 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.065 1.109 18229 1311 1 2 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.572 -0.472 18229 1312 1 2 . 1 1 114 114 ALA H H 114 7.900 7.900 7.751 0.149 18229 1313 1 3 . 1 1 2 2 SER N N 2 113.055 113.055 114.744 -1.689 18229 1314 1 3 . 1 1 2 2 SER HA H 2 4.418 4.418 4.459 -0.041 18229 1315 1 3 . 1 1 2 2 SER C C 2 174.994 174.994 174.930 0.064 18229 1316 1 3 . 1 1 2 2 SER CA C 2 58.540 58.540 58.361 0.179 18229 1317 1 3 . 1 1 2 2 SER CB C 2 63.748 63.748 64.021 -0.273 18229 1318 1 3 . 1 1 2 2 SER H H 2 8.061 8.061 8.195 -0.134 18229 1319 1 3 . 1 1 3 3 HIS N N 3 119.062 119.062 116.895 2.167 18229 1320 1 3 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.496 0.239 18229 1321 1 3 . 1 1 3 3 HIS C C 3 173.417 173.417 174.134 -0.717 18229 1322 1 3 . 1 1 3 3 HIS CA C 3 55.304 55.304 56.404 -1.100 18229 1323 1 3 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.463 0.084 18229 1324 1 3 . 1 1 3 3 HIS H H 3 8.410 8.410 8.260 0.150 18229 1325 1 3 . 1 1 4 4 SER N N 4 113.520 113.520 112.007 1.513 18229 1326 1 3 . 1 1 4 4 SER HA H 4 5.516 5.516 5.011 0.505 18229 1327 1 3 . 1 1 4 4 SER C C 4 173.602 173.602 172.779 0.823 18229 1328 1 3 . 1 1 4 4 SER CA C 4 57.005 57.005 57.356 -0.351 18229 1329 1 3 . 1 1 4 4 SER CB C 4 65.989 65.989 66.787 -0.798 18229 1330 1 3 . 1 1 4 4 SER H H 4 7.817 7.817 7.550 0.267 18229 1331 1 3 . 1 1 5 5 GLY N N 5 106.959 106.959 106.237 0.722 18229 1332 1 3 . 1 1 5 5 GLY C C 5 171.058 171.058 171.925 -0.867 18229 1333 1 3 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.668 -0.197 18229 1334 1 3 . 1 1 5 5 GLY H H 5 8.356 8.356 8.758 -0.403 18229 1335 1 3 . 1 1 6 6 ALA N N 6 125.264 125.264 124.310 0.954 18229 1336 1 3 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.604 0.357 18229 1337 1 3 . 1 1 6 6 ALA C C 6 176.831 176.831 175.408 1.423 18229 1338 1 3 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.628 1.117 18229 1339 1 3 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.201 -0.821 18229 1340 1 3 . 1 1 6 6 ALA H H 6 8.641 8.641 8.455 0.186 18229 1341 1 3 . 1 1 7 7 ALA N N 7 119.937 119.937 122.458 -2.521 18229 1342 1 3 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.770 -0.115 18229 1343 1 3 . 1 1 7 7 ALA C C 7 176.683 176.683 175.524 1.159 18229 1344 1 3 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.813 0.932 18229 1345 1 3 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.454 1.583 18229 1346 1 3 . 1 1 7 7 ALA H H 7 8.370 8.370 8.752 -0.382 18229 1347 1 3 . 1 1 8 8 ILE N N 8 125.430 125.430 119.563 5.867 18229 1348 1 3 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.282 -0.287 18229 1349 1 3 . 1 1 8 8 ILE C C 8 175.310 175.310 174.705 0.605 18229 1350 1 3 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.472 1.480 18229 1351 1 3 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.349 1.338 18229 1352 1 3 . 1 1 8 8 ILE H H 8 9.349 9.349 8.326 1.023 18229 1353 1 3 . 1 1 9 9 PHE N N 9 128.906 128.906 127.496 1.410 18229 1354 1 3 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.490 -0.198 18229 1355 1 3 . 1 1 9 9 PHE C C 9 173.925 173.925 174.580 -0.655 18229 1356 1 3 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.213 1.058 18229 1357 1 3 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.814 -0.247 18229 1358 1 3 . 1 1 9 9 PHE H H 9 8.450 8.450 8.880 -0.430 18229 1359 1 3 . 1 1 10 10 GLU N N 10 126.509 126.509 127.296 -0.787 18229 1360 1 3 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.772 -0.568 18229 1361 1 3 . 1 1 10 10 GLU C C 10 175.157 175.157 175.728 -0.571 18229 1362 1 3 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.238 -0.459 18229 1363 1 3 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.807 -1.358 18229 1364 1 3 . 1 1 10 10 GLU H H 10 8.749 8.749 8.805 -0.056 18229 1365 1 3 . 1 1 11 11 LYS N N 11 105.729 105.729 111.382 -5.653 18229 1366 1 3 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.964 -0.561 18229 1367 1 3 . 1 1 11 11 LYS C C 11 175.543 175.543 175.300 0.243 18229 1368 1 3 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.473 1.081 18229 1369 1 3 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.426 -1.249 18229 1370 1 3 . 1 1 11 11 LYS H H 11 7.931 7.931 8.529 -0.598 18229 1371 1 3 . 1 1 12 12 VAL N N 12 123.753 123.753 121.283 2.470 18229 1372 1 3 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.290 0.127 18229 1373 1 3 . 1 1 12 12 VAL C C 12 175.120 175.120 175.415 -0.295 18229 1374 1 3 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.076 0.696 18229 1375 1 3 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.117 0.164 18229 1376 1 3 . 1 1 12 12 VAL H H 12 7.901 7.901 7.292 0.609 18229 1377 1 3 . 1 1 13 13 SER N N 13 121.941 121.941 121.335 0.606 18229 1378 1 3 . 1 1 13 13 SER HA H 13 4.627 4.627 4.866 -0.239 18229 1379 1 3 . 1 1 13 13 SER C C 13 175.339 175.339 174.013 1.326 18229 1380 1 3 . 1 1 13 13 SER CA C 13 59.813 59.813 58.514 1.299 18229 1381 1 3 . 1 1 13 13 SER CB C 13 63.763 63.763 63.624 0.139 18229 1382 1 3 . 1 1 13 13 SER H H 13 8.876 8.876 8.812 0.064 18229 1383 1 3 . 1 1 14 14 GLY N N 14 113.199 113.199 112.943 0.256 18229 1384 1 3 . 1 1 14 14 GLY C C 14 172.742 172.742 172.098 0.644 18229 1385 1 3 . 1 1 14 14 GLY CA C 14 46.520 46.520 43.935 2.585 18229 1386 1 3 . 1 1 14 14 GLY H H 14 8.277 8.277 9.477 -1.200 18229 1387 1 3 . 1 1 15 15 ILE N N 15 123.240 123.240 119.405 3.835 18229 1388 1 3 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.446 0.364 18229 1389 1 3 . 1 1 15 15 ILE C C 15 175.370 175.370 174.126 1.244 18229 1390 1 3 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.620 0.700 18229 1391 1 3 . 1 1 15 15 ILE CB C 15 41.606 41.606 38.968 2.638 18229 1392 1 3 . 1 1 15 15 ILE H H 15 8.298 8.298 8.716 -0.418 18229 1393 1 3 . 1 1 16 16 ILE N N 16 127.865 127.865 127.018 0.847 18229 1394 1 3 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.520 0.480 18229 1395 1 3 . 1 1 16 16 ILE C C 16 173.119 173.119 174.108 -0.989 18229 1396 1 3 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.827 -0.072 18229 1397 1 3 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.732 1.136 18229 1398 1 3 . 1 1 16 16 ILE H H 16 9.428 9.428 8.978 0.450 18229 1399 1 3 . 1 1 17 17 ALA N N 17 127.742 127.742 130.061 -2.319 18229 1400 1 3 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.928 0.146 18229 1401 1 3 . 1 1 17 17 ALA C C 17 176.203 176.203 176.124 0.079 18229 1402 1 3 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.049 0.342 18229 1403 1 3 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.647 0.543 18229 1404 1 3 . 1 1 17 17 ALA H H 17 8.966 8.966 8.088 0.878 18229 1405 1 3 . 1 1 18 18 ILE N N 18 122.269 122.269 124.064 -1.795 18229 1406 1 3 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.236 0.385 18229 1407 1 3 . 1 1 18 18 ILE C C 18 174.306 174.306 175.699 -1.393 18229 1408 1 3 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.210 -0.710 18229 1409 1 3 . 1 1 18 18 ILE CB C 18 39.147 39.147 38.989 0.158 18229 1410 1 3 . 1 1 18 18 ILE H H 18 8.672 8.672 8.583 0.089 18229 1411 1 3 . 1 1 19 19 ASN N N 19 127.575 127.575 124.538 3.037 18229 1412 1 3 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.846 0.216 18229 1413 1 3 . 1 1 19 19 ASN C C 19 174.730 174.730 174.772 -0.042 18229 1414 1 3 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.211 -0.482 18229 1415 1 3 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.745 -0.249 18229 1416 1 3 . 1 1 19 19 ASN H H 19 9.350 9.350 8.833 0.517 18229 1417 1 3 . 1 1 20 20 GLU N N 20 121.547 121.547 123.088 -1.541 18229 1418 1 3 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.151 0.526 18229 1419 1 3 . 1 1 20 20 GLU C C 20 176.091 176.091 176.048 0.043 18229 1420 1 3 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.966 -2.164 18229 1421 1 3 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.776 0.896 18229 1422 1 3 . 1 1 20 20 GLU H H 20 9.037 9.037 8.396 0.641 18229 1423 1 3 . 1 1 21 21 ASP N N 21 121.086 121.086 117.729 3.357 18229 1424 1 3 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.574 0.055 18229 1425 1 3 . 1 1 21 21 ASP C C 21 175.651 175.651 175.904 -0.253 18229 1426 1 3 . 1 1 21 21 ASP CA C 21 55.499 55.499 55.095 0.404 18229 1427 1 3 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.671 -0.121 18229 1428 1 3 . 1 1 21 21 ASP H H 21 8.706 8.706 8.233 0.473 18229 1429 1 3 . 1 1 22 22 VAL N N 22 113.108 113.108 115.786 -2.678 18229 1430 1 3 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.347 -0.031 18229 1431 1 3 . 1 1 22 22 VAL C C 22 173.407 173.407 174.810 -1.403 18229 1432 1 3 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.803 -0.650 18229 1433 1 3 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.455 0.574 18229 1434 1 3 . 1 1 22 22 VAL H H 22 6.819 6.819 7.213 -0.394 18229 1435 1 3 . 1 1 23 23 SER N N 23 115.009 115.009 114.441 0.568 18229 1436 1 3 . 1 1 23 23 SER HA H 23 4.735 4.735 4.594 0.141 18229 1437 1 3 . 1 1 23 23 SER CA C 23 53.848 53.848 57.199 -3.350 18229 1438 1 3 . 1 1 23 23 SER CB C 23 64.810 64.810 64.006 0.804 18229 1439 1 3 . 1 1 23 23 SER H H 23 8.032 8.032 8.297 -0.265 18229 1440 1 3 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.447 0.337 18229 1441 1 3 . 1 1 24 24 PRO C C 24 174.825 174.825 175.765 -0.940 18229 1442 1 3 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.244 0.604 18229 1443 1 3 . 1 1 24 24 PRO CB C 24 34.801 34.801 31.774 3.027 18229 1444 1 3 . 1 1 25 25 ALA N N 25 120.477 120.477 122.104 -1.627 18229 1445 1 3 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.326 0.189 18229 1446 1 3 . 1 1 25 25 ALA C C 25 175.878 175.878 176.888 -1.010 18229 1447 1 3 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.342 0.266 18229 1448 1 3 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.147 0.307 18229 1449 1 3 . 1 1 25 25 ALA H H 25 8.013 8.013 8.258 -0.245 18229 1450 1 3 . 1 1 26 26 GLU N N 26 115.417 115.417 114.703 0.714 18229 1451 1 3 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.160 -0.089 18229 1452 1 3 . 1 1 26 26 GLU C C 26 174.599 174.599 174.779 -0.180 18229 1453 1 3 . 1 1 26 26 GLU CA C 26 53.987 53.987 54.931 -0.944 18229 1454 1 3 . 1 1 26 26 GLU CB C 26 34.265 34.265 33.200 1.065 18229 1455 1 3 . 1 1 26 26 GLU H H 26 7.821 7.821 8.007 -0.186 18229 1456 1 3 . 1 1 27 27 LEU N N 27 124.622 124.622 122.437 2.185 18229 1457 1 3 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.267 -0.229 18229 1458 1 3 . 1 1 27 27 LEU C C 27 174.704 174.704 175.639 -0.935 18229 1459 1 3 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.542 0.215 18229 1460 1 3 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.029 1.617 18229 1461 1 3 . 1 1 27 27 LEU H H 27 8.863 8.863 9.066 -0.203 18229 1462 1 3 . 1 1 28 28 THR N N 28 121.755 121.755 122.243 -0.488 18229 1463 1 3 . 1 1 28 28 THR HA H 28 5.152 5.152 5.022 0.130 18229 1464 1 3 . 1 1 28 28 THR C C 28 172.573 172.573 173.416 -0.843 18229 1465 1 3 . 1 1 28 28 THR CA C 28 61.452 61.452 62.465 -1.013 18229 1466 1 3 . 1 1 28 28 THR CB C 28 71.480 71.480 69.767 1.713 18229 1467 1 3 . 1 1 28 28 THR H H 28 9.276 9.276 9.094 0.182 18229 1468 1 3 . 1 1 29 29 TRP N N 29 128.764 128.764 131.169 -2.405 18229 1469 1 3 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.027 0.421 18229 1470 1 3 . 1 1 29 29 TRP C C 29 173.881 173.881 174.409 -0.528 18229 1471 1 3 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.224 -0.434 18229 1472 1 3 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.998 1.332 18229 1473 1 3 . 1 1 29 29 TRP H H 29 9.383 9.383 9.573 -0.190 18229 1474 1 3 . 1 1 30 30 ARG N N 30 126.417 126.417 130.036 -3.619 18229 1475 1 3 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.566 0.241 18229 1476 1 3 . 1 1 30 30 ARG C C 30 174.712 174.712 175.321 -0.609 18229 1477 1 3 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.759 -0.291 18229 1478 1 3 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.533 0.285 18229 1479 1 3 . 1 1 30 30 ARG H H 30 7.579 7.579 9.194 -1.615 18229 1480 1 3 . 1 1 31 31 SER N N 31 118.415 118.415 122.168 -3.753 18229 1481 1 3 . 1 1 31 31 SER HA H 31 4.480 4.480 3.645 0.835 18229 1482 1 3 . 1 1 31 31 SER C C 31 176.360 176.360 174.999 1.361 18229 1483 1 3 . 1 1 31 31 SER CA C 31 58.070 58.070 60.423 -2.353 18229 1484 1 3 . 1 1 31 31 SER CB C 31 64.272 64.272 63.643 0.629 18229 1485 1 3 . 1 1 31 31 SER H H 31 8.078 8.078 8.682 -0.604 18229 1486 1 3 . 1 1 32 32 THR N N 32 119.175 119.175 118.333 0.842 18229 1487 1 3 . 1 1 32 32 THR HA H 32 3.847 3.847 4.133 -0.286 18229 1488 1 3 . 1 1 32 32 THR C C 32 175.602 175.602 175.485 0.117 18229 1489 1 3 . 1 1 32 32 THR CA C 32 66.265 66.265 65.875 0.390 18229 1490 1 3 . 1 1 32 32 THR CB C 32 68.557 68.557 69.131 -0.574 18229 1491 1 3 . 1 1 32 32 THR H H 32 8.520 8.520 8.687 -0.167 18229 1492 1 3 . 1 1 33 33 ASP N N 33 117.286 117.286 120.100 -2.814 18229 1493 1 3 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.670 -0.053 18229 1494 1 3 . 1 1 33 33 ASP C C 33 177.056 177.056 176.417 0.639 18229 1495 1 3 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.663 -0.438 18229 1496 1 3 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.093 -0.215 18229 1497 1 3 . 1 1 33 33 ASP H H 33 8.223 8.223 8.410 -0.187 18229 1498 1 3 . 1 1 34 34 GLY N N 34 109.197 109.197 106.019 3.178 18229 1499 1 3 . 1 1 34 34 GLY C C 34 173.762 173.762 174.616 -0.854 18229 1500 1 3 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.265 0.134 18229 1501 1 3 . 1 1 34 34 GLY H H 34 7.914 7.914 8.355 -0.441 18229 1502 1 3 . 1 1 35 35 ASP N N 35 118.081 118.081 119.169 -1.088 18229 1503 1 3 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.662 -0.143 18229 1504 1 3 . 1 1 35 35 ASP C C 35 175.366 175.366 175.942 -0.576 18229 1505 1 3 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.216 -0.356 18229 1506 1 3 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.381 -0.408 18229 1507 1 3 . 1 1 35 35 ASP H H 35 8.238 8.238 8.394 -0.156 18229 1508 1 3 . 1 1 36 36 LYS N N 36 120.362 120.362 115.879 4.483 18229 1509 1 3 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.395 0.439 18229 1510 1 3 . 1 1 36 36 LYS C C 36 174.568 174.568 173.722 0.846 18229 1511 1 3 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.570 -0.034 18229 1512 1 3 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.889 0.890 18229 1513 1 3 . 1 1 36 36 LYS H H 36 7.749 7.749 7.717 0.032 18229 1514 1 3 . 1 1 37 37 VAL N N 37 121.758 121.758 118.858 2.900 18229 1515 1 3 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.228 0.043 18229 1516 1 3 . 1 1 37 37 VAL C C 37 175.209 175.209 173.990 1.219 18229 1517 1 3 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.089 0.174 18229 1518 1 3 . 1 1 37 37 VAL CB C 37 35.983 35.983 34.898 1.085 18229 1519 1 3 . 1 1 37 37 VAL H H 37 8.526 8.526 8.281 0.245 18229 1520 1 3 . 1 1 38 38 HIS N N 38 126.087 126.087 124.205 1.882 18229 1521 1 3 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.969 0.052 18229 1522 1 3 . 1 1 38 38 HIS C C 38 173.116 173.116 174.041 -0.925 18229 1523 1 3 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.914 0.894 18229 1524 1 3 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.856 0.127 18229 1525 1 3 . 1 1 38 38 HIS H H 38 9.633 9.633 9.481 0.152 18229 1526 1 3 . 1 1 39 39 THR N N 39 124.455 124.455 121.019 3.436 18229 1527 1 3 . 1 1 39 39 THR HA H 39 5.155 5.155 4.984 0.171 18229 1528 1 3 . 1 1 39 39 THR C C 39 173.102 173.102 173.299 -0.197 18229 1529 1 3 . 1 1 39 39 THR CA C 39 61.637 61.637 62.157 -0.520 18229 1530 1 3 . 1 1 39 39 THR CB C 39 70.716 70.716 69.637 1.079 18229 1531 1 3 . 1 1 39 39 THR H H 39 8.415 8.415 8.600 -0.185 18229 1532 1 3 . 1 1 40 40 VAL N N 40 126.066 126.066 125.832 0.234 18229 1533 1 3 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.239 -0.286 18229 1534 1 3 . 1 1 40 40 VAL C C 40 174.693 174.693 174.009 0.684 18229 1535 1 3 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.005 0.343 18229 1536 1 3 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.850 -1.576 18229 1537 1 3 . 1 1 40 40 VAL H H 40 9.387 9.387 9.234 0.153 18229 1538 1 3 . 1 1 41 41 VAL N N 41 129.775 129.775 128.748 1.027 18229 1539 1 3 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.491 -0.503 18229 1540 1 3 . 1 1 41 41 VAL C C 41 179.424 179.424 176.605 2.819 18229 1541 1 3 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.974 2.770 18229 1542 1 3 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.390 -0.439 18229 1543 1 3 . 1 1 41 41 VAL H H 41 9.021 9.021 8.681 0.340 18229 1544 1 3 . 1 1 42 42 LEU N N 42 129.645 129.645 128.203 1.442 18229 1545 1 3 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.107 -0.134 18229 1546 1 3 . 1 1 42 42 LEU C C 42 176.259 176.259 177.957 -1.698 18229 1547 1 3 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.401 1.242 18229 1548 1 3 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.422 -0.594 18229 1549 1 3 . 1 1 42 42 LEU H H 42 9.147 9.147 8.661 0.486 18229 1550 1 3 . 1 1 43 43 SER N N 43 110.158 110.158 111.721 -1.563 18229 1551 1 3 . 1 1 43 43 SER HA H 43 4.310 4.310 4.186 0.124 18229 1552 1 3 . 1 1 43 43 SER C C 43 175.263 175.263 175.809 -0.546 18229 1553 1 3 . 1 1 43 43 SER CA C 43 59.620 59.620 60.495 -0.875 18229 1554 1 3 . 1 1 43 43 SER CB C 43 61.543 61.543 63.695 -2.152 18229 1555 1 3 . 1 1 43 43 SER H H 43 7.006 7.006 8.124 -1.118 18229 1556 1 3 . 1 1 44 44 THR N N 44 110.206 110.206 113.530 -3.324 18229 1557 1 3 . 1 1 44 44 THR HA H 44 4.504 4.504 4.208 0.296 18229 1558 1 3 . 1 1 44 44 THR C C 44 173.489 173.489 175.864 -2.375 18229 1559 1 3 . 1 1 44 44 THR CA C 44 62.024 62.024 63.894 -1.870 18229 1560 1 3 . 1 1 44 44 THR CB C 44 69.805 69.805 68.999 0.806 18229 1561 1 3 . 1 1 44 44 THR H H 44 7.571 7.571 7.607 -0.036 18229 1562 1 3 . 1 1 45 45 ILE N N 45 120.322 120.322 123.250 -2.928 18229 1563 1 3 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.190 0.077 18229 1564 1 3 . 1 1 45 45 ILE C C 45 174.103 174.103 176.307 -2.204 18229 1565 1 3 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.553 -3.583 18229 1566 1 3 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.132 0.429 18229 1567 1 3 . 1 1 45 45 ILE H H 45 6.975 6.975 7.997 -1.022 18229 1568 1 3 . 1 1 46 46 ASP N N 46 126.492 126.492 127.853 -1.361 18229 1569 1 3 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.378 0.333 18229 1570 1 3 . 1 1 46 46 ASP C C 46 175.431 175.431 175.555 -0.124 18229 1571 1 3 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.361 -1.528 18229 1572 1 3 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.826 2.709 18229 1573 1 3 . 1 1 46 46 ASP H H 46 9.262 9.262 8.902 0.360 18229 1574 1 3 . 1 1 47 47 LYS N N 47 112.726 112.726 113.644 -0.918 18229 1575 1 3 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.455 0.252 18229 1576 1 3 . 1 1 47 47 LYS C C 47 172.673 172.673 173.881 -1.208 18229 1577 1 3 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.558 -0.737 18229 1578 1 3 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.377 2.232 18229 1579 1 3 . 1 1 47 47 LYS H H 47 7.572 7.572 7.388 0.184 18229 1580 1 3 . 1 1 48 48 LEU N N 48 124.840 124.840 123.079 1.761 18229 1581 1 3 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.960 0.091 18229 1582 1 3 . 1 1 48 48 LEU C C 48 173.965 173.965 175.717 -1.752 18229 1583 1 3 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.173 -1.153 18229 1584 1 3 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.035 2.529 18229 1585 1 3 . 1 1 48 48 LEU H H 48 9.013 9.013 8.443 0.570 18229 1586 1 3 . 1 1 49 49 GLN N N 49 121.648 121.648 126.378 -4.730 18229 1587 1 3 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.718 0.800 18229 1588 1 3 . 1 1 49 49 GLN C C 49 174.700 174.700 173.849 0.851 18229 1589 1 3 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.208 -0.609 18229 1590 1 3 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.107 0.919 18229 1591 1 3 . 1 1 49 49 GLN H H 49 9.260 9.260 9.366 -0.106 18229 1592 1 3 . 1 1 50 50 ALA N N 50 122.020 122.020 124.733 -2.713 18229 1593 1 3 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.105 0.642 18229 1594 1 3 . 1 1 50 50 ALA C C 50 177.167 177.167 176.167 1.000 18229 1595 1 3 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.035 -0.443 18229 1596 1 3 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.331 2.033 18229 1597 1 3 . 1 1 50 50 ALA H H 50 9.286 9.286 8.356 0.930 18229 1598 1 3 . 1 1 51 51 THR N N 51 114.222 114.222 115.579 -1.357 18229 1599 1 3 . 1 1 51 51 THR HA H 51 4.735 4.735 4.523 0.212 18229 1600 1 3 . 1 1 51 51 THR CA C 51 59.228 59.228 60.372 -1.144 18229 1601 1 3 . 1 1 51 51 THR CB C 51 67.954 67.954 68.538 -0.584 18229 1602 1 3 . 1 1 51 51 THR H H 51 8.340 8.340 8.732 -0.392 18229 1603 1 3 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.453 0.117 18229 1604 1 3 . 1 1 52 52 PRO C C 52 178.621 178.621 177.359 1.262 18229 1605 1 3 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.096 0.332 18229 1606 1 3 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.170 0.549 18229 1607 1 3 . 1 1 53 53 ALA N N 53 126.566 126.566 123.178 3.388 18229 1608 1 3 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.085 -0.030 18229 1609 1 3 . 1 1 53 53 ALA C C 53 177.578 177.578 179.476 -1.898 18229 1610 1 3 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.777 0.043 18229 1611 1 3 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.536 -0.679 18229 1612 1 3 . 1 1 53 53 ALA H H 53 9.109 9.109 8.550 0.559 18229 1613 1 3 . 1 1 54 54 SER N N 54 107.184 107.184 110.712 -3.528 18229 1614 1 3 . 1 1 54 54 SER HA H 54 4.235 4.235 4.482 -0.247 18229 1615 1 3 . 1 1 54 54 SER C C 54 174.838 174.838 174.074 0.764 18229 1616 1 3 . 1 1 54 54 SER CA C 54 58.116 58.116 56.932 1.184 18229 1617 1 3 . 1 1 54 54 SER CB C 54 63.021 63.021 62.831 0.190 18229 1618 1 3 . 1 1 54 54 SER H H 54 7.595 7.595 8.114 -0.519 18229 1619 1 3 . 1 1 55 55 SER N N 55 117.098 117.098 116.833 0.265 18229 1620 1 3 . 1 1 55 55 SER HA H 55 4.484 4.484 4.406 0.078 18229 1621 1 3 . 1 1 55 55 SER C C 55 174.833 174.833 174.686 0.147 18229 1622 1 3 . 1 1 55 55 SER CA C 55 57.510 57.510 58.385 -0.875 18229 1623 1 3 . 1 1 55 55 SER CB C 55 64.121 64.121 63.945 0.176 18229 1624 1 3 . 1 1 55 55 SER H H 55 7.613 7.613 7.713 -0.100 18229 1625 1 3 . 1 1 56 56 GLU N N 56 125.258 125.258 127.385 -2.127 18229 1626 1 3 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.131 -0.002 18229 1627 1 3 . 1 1 56 56 GLU C C 56 177.852 177.852 176.119 1.733 18229 1628 1 3 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.016 -0.404 18229 1629 1 3 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.736 -0.312 18229 1630 1 3 . 1 1 56 56 GLU H H 56 8.849 8.849 8.849 -0.000 18229 1631 1 3 . 1 1 57 57 LYS N N 57 119.058 119.058 118.543 0.515 18229 1632 1 3 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.564 -0.265 18229 1633 1 3 . 1 1 57 57 LYS C C 57 175.699 175.699 175.902 -0.203 18229 1634 1 3 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.150 0.495 18229 1635 1 3 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.626 0.644 18229 1636 1 3 . 1 1 57 57 LYS H H 57 8.060 8.060 7.439 0.621 18229 1637 1 3 . 1 1 58 58 MET N N 58 123.967 123.967 124.283 -0.316 18229 1638 1 3 . 1 1 58 58 MET HA H 58 4.345 4.345 4.368 -0.023 18229 1639 1 3 . 1 1 58 58 MET C C 58 174.213 174.213 176.227 -2.014 18229 1640 1 3 . 1 1 58 58 MET CA C 58 55.170 55.170 56.825 -1.655 18229 1641 1 3 . 1 1 58 58 MET CB C 58 35.330 35.330 32.620 2.710 18229 1642 1 3 . 1 1 58 58 MET H H 58 8.828 8.828 8.556 0.272 18229 1643 1 3 . 1 1 59 59 MET N N 59 120.929 120.929 121.016 -0.087 18229 1644 1 3 . 1 1 59 59 MET HA H 59 5.905 5.905 5.397 0.508 18229 1645 1 3 . 1 1 59 59 MET C C 59 174.521 174.521 174.138 0.383 18229 1646 1 3 . 1 1 59 59 MET CA C 59 55.038 55.038 55.407 -0.369 18229 1647 1 3 . 1 1 59 59 MET CB C 59 39.549 39.549 37.406 2.143 18229 1648 1 3 . 1 1 59 59 MET H H 59 8.528 8.528 9.441 -0.913 18229 1649 1 3 . 1 1 60 60 LEU N N 60 117.623 117.623 122.071 -4.448 18229 1650 1 3 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.083 0.582 18229 1651 1 3 . 1 1 60 60 LEU C C 60 175.763 175.763 175.056 0.707 18229 1652 1 3 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.760 -0.575 18229 1653 1 3 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.240 2.321 18229 1654 1 3 . 1 1 60 60 LEU H H 60 9.052 9.052 9.603 -0.551 18229 1655 1 3 . 1 1 61 61 ARG N N 61 120.407 120.407 121.763 -1.356 18229 1656 1 3 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.647 -0.176 18229 1657 1 3 . 1 1 61 61 ARG C C 61 173.286 173.286 174.072 -0.786 18229 1658 1 3 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.565 0.366 18229 1659 1 3 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.381 -0.046 18229 1660 1 3 . 1 1 61 61 ARG H H 61 9.180 9.180 9.516 -0.336 18229 1661 1 3 . 1 1 62 62 LEU N N 62 126.471 126.471 125.388 1.083 18229 1662 1 3 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.251 -0.053 18229 1663 1 3 . 1 1 62 62 LEU C C 62 175.447 175.447 175.937 -0.490 18229 1664 1 3 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.322 0.086 18229 1665 1 3 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.778 -1.345 18229 1666 1 3 . 1 1 62 62 LEU H H 62 9.203 9.203 9.180 0.023 18229 1667 1 3 . 1 1 63 63 ILE N N 63 123.282 123.282 123.489 -0.207 18229 1668 1 3 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.240 0.457 18229 1669 1 3 . 1 1 63 63 ILE C C 63 176.525 176.525 176.719 -0.194 18229 1670 1 3 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.260 0.416 18229 1671 1 3 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.044 0.661 18229 1672 1 3 . 1 1 63 63 ILE H H 63 8.983 8.983 8.933 0.050 18229 1673 1 3 . 1 1 64 64 GLY N N 64 115.647 115.647 110.262 5.385 18229 1674 1 3 . 1 1 64 64 GLY C C 64 172.300 172.300 172.947 -0.647 18229 1675 1 3 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.786 1.876 18229 1676 1 3 . 1 1 64 64 GLY H H 64 9.372 9.372 8.982 0.390 18229 1677 1 3 . 1 1 65 65 LYS N N 65 119.107 119.107 125.106 -5.999 18229 1678 1 3 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.372 -0.066 18229 1679 1 3 . 1 1 65 65 LYS C C 65 177.404 177.404 176.534 0.870 18229 1680 1 3 . 1 1 65 65 LYS CA C 65 56.501 56.501 56.868 -0.367 18229 1681 1 3 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.549 1.869 18229 1682 1 3 . 1 1 65 65 LYS H H 65 8.289 8.289 8.063 0.226 18229 1683 1 3 . 1 1 66 66 VAL N N 66 122.231 122.231 125.181 -2.950 18229 1684 1 3 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.071 0.008 18229 1685 1 3 . 1 1 66 66 VAL C C 66 175.253 175.253 176.181 -0.928 18229 1686 1 3 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.550 0.586 18229 1687 1 3 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.264 0.020 18229 1688 1 3 . 1 1 66 66 VAL H H 66 8.607 8.607 8.369 0.238 18229 1689 1 3 . 1 1 67 67 ASP N N 67 125.538 125.538 123.477 2.061 18229 1690 1 3 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.839 -0.140 18229 1691 1 3 . 1 1 67 67 ASP C C 67 176.601 176.601 176.408 0.193 18229 1692 1 3 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.034 0.024 18229 1693 1 3 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.673 0.199 18229 1694 1 3 . 1 1 67 67 ASP H H 67 8.457 8.457 8.520 -0.063 18229 1695 1 3 . 1 1 68 68 GLU N N 68 124.433 124.433 118.740 5.693 18229 1696 1 3 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.053 0.071 18229 1697 1 3 . 1 1 68 68 GLU C C 68 177.344 177.344 176.800 0.544 18229 1698 1 3 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.498 -0.863 18229 1699 1 3 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.563 0.117 18229 1700 1 3 . 1 1 68 68 GLU H H 68 8.712 8.712 8.322 0.390 18229 1701 1 3 . 1 1 69 69 SER N N 69 115.596 115.596 113.478 2.118 18229 1702 1 3 . 1 1 69 69 SER HA H 69 4.328 4.328 4.605 -0.277 18229 1703 1 3 . 1 1 69 69 SER C C 69 175.180 175.180 174.238 0.942 18229 1704 1 3 . 1 1 69 69 SER CA C 69 60.146 60.146 58.515 1.631 18229 1705 1 3 . 1 1 69 69 SER CB C 69 63.383 63.383 62.313 1.070 18229 1706 1 3 . 1 1 69 69 SER H H 69 8.467 8.467 8.132 0.335 18229 1707 1 3 . 1 1 70 70 LYS N N 70 121.738 121.738 121.860 -0.122 18229 1708 1 3 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.399 0.007 18229 1709 1 3 . 1 1 70 70 LYS C C 70 176.165 176.165 175.733 0.432 18229 1710 1 3 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.201 -0.791 18229 1711 1 3 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.999 -1.499 18229 1712 1 3 . 1 1 70 70 LYS H H 70 7.675 7.675 7.509 0.166 18229 1713 1 3 . 1 1 71 71 LYS N N 71 121.087 121.087 119.386 1.701 18229 1714 1 3 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.067 0.341 18229 1715 1 3 . 1 1 71 71 LYS C C 71 176.134 176.134 174.873 1.261 18229 1716 1 3 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.156 -0.551 18229 1717 1 3 . 1 1 71 71 LYS CB C 71 33.283 33.283 30.992 2.291 18229 1718 1 3 . 1 1 71 71 LYS H H 71 7.739 7.739 7.763 -0.024 18229 1719 1 3 . 1 1 72 72 ARG N N 72 122.147 122.147 121.575 0.572 18229 1720 1 3 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.635 -0.051 18229 1721 1 3 . 1 1 72 72 ARG C C 72 175.217 175.217 176.053 -0.836 18229 1722 1 3 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.185 0.856 18229 1723 1 3 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.410 0.944 18229 1724 1 3 . 1 1 72 72 ARG H H 72 8.402 8.402 8.802 -0.400 18229 1725 1 3 . 1 1 73 73 LYS N N 73 121.242 121.242 125.085 -3.843 18229 1726 1 3 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.149 0.750 18229 1727 1 3 . 1 1 73 73 LYS C C 73 176.966 176.966 175.991 0.975 18229 1728 1 3 . 1 1 73 73 LYS CA C 73 55.365 55.365 57.732 -2.367 18229 1729 1 3 . 1 1 73 73 LYS CB C 73 34.631 34.631 32.979 1.652 18229 1730 1 3 . 1 1 73 73 LYS H H 73 8.386 8.386 8.608 -0.222 18229 1731 1 3 . 1 1 74 74 ASP N N 74 122.007 122.007 121.401 0.606 18229 1732 1 3 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.652 -0.001 18229 1733 1 3 . 1 1 74 74 ASP C C 74 177.401 177.401 175.759 1.642 18229 1734 1 3 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.591 -2.751 18229 1735 1 3 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.212 -0.204 18229 1736 1 3 . 1 1 74 74 ASP H H 74 8.559 8.559 8.591 -0.032 18229 1737 1 3 . 1 1 75 75 ASN N N 75 116.263 116.263 113.754 2.509 18229 1738 1 3 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.629 -0.094 18229 1739 1 3 . 1 1 75 75 ASN C C 75 175.944 175.944 174.409 1.535 18229 1740 1 3 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.429 1.448 18229 1741 1 3 . 1 1 75 75 ASN CB C 75 38.110 38.110 39.250 -1.140 18229 1742 1 3 . 1 1 75 75 ASN H H 75 8.414 8.414 8.129 0.285 18229 1743 1 3 . 1 1 76 76 GLU N N 76 118.940 118.940 120.562 -1.622 18229 1744 1 3 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.615 -0.222 18229 1745 1 3 . 1 1 76 76 GLU C C 76 176.512 176.512 176.231 0.281 18229 1746 1 3 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.463 0.703 18229 1747 1 3 . 1 1 76 76 GLU CB C 76 30.010 30.010 30.232 -0.222 18229 1748 1 3 . 1 1 76 76 GLU H H 76 8.133 8.133 8.330 -0.197 18229 1749 1 3 . 1 1 77 77 GLY N N 77 108.056 108.056 108.744 -0.688 18229 1750 1 3 . 1 1 77 77 GLY C C 77 174.193 174.193 174.422 -0.229 18229 1751 1 3 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.748 -0.461 18229 1752 1 3 . 1 1 77 77 GLY H H 77 8.083 8.083 8.167 -0.084 18229 1753 1 3 . 1 1 78 78 ASN N N 78 119.896 119.896 117.558 2.338 18229 1754 1 3 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.553 0.189 18229 1755 1 3 . 1 1 78 78 ASN C C 78 175.006 175.006 175.318 -0.312 18229 1756 1 3 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.055 -0.228 18229 1757 1 3 . 1 1 78 78 ASN CB C 78 38.996 38.996 38.976 0.020 18229 1758 1 3 . 1 1 78 78 ASN H H 78 8.537 8.537 8.247 0.290 18229 1759 1 3 . 1 1 79 79 GLU N N 79 121.648 121.648 117.758 3.890 18229 1760 1 3 . 1 1 79 79 GLU HA H 79 4.471 4.471 3.988 0.483 18229 1761 1 3 . 1 1 79 79 GLU C C 79 176.268 176.268 174.782 1.486 18229 1762 1 3 . 1 1 79 79 GLU CA C 79 56.610 56.610 56.915 -0.305 18229 1763 1 3 . 1 1 79 79 GLU CB C 79 30.307 30.307 29.413 0.894 18229 1764 1 3 . 1 1 79 79 GLU H H 79 8.674 8.674 8.027 0.647 18229 1765 1 3 . 1 1 80 80 VAL N N 80 124.083 124.083 124.400 -0.317 18229 1766 1 3 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.338 -0.090 18229 1767 1 3 . 1 1 80 80 VAL C C 80 175.537 175.537 174.353 1.184 18229 1768 1 3 . 1 1 80 80 VAL CA C 80 61.465 61.465 61.172 0.293 18229 1769 1 3 . 1 1 80 80 VAL CB C 80 33.553 33.553 34.769 -1.216 18229 1770 1 3 . 1 1 80 80 VAL H H 80 8.554 8.554 8.640 -0.086 18229 1771 1 3 . 1 1 81 81 VAL N N 81 126.640 126.640 126.037 0.603 18229 1772 1 3 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.446 -0.019 18229 1773 1 3 . 1 1 81 81 VAL CA C 81 59.605 59.605 58.013 1.593 18229 1774 1 3 . 1 1 81 81 VAL CB C 81 32.876 32.876 30.735 2.141 18229 1775 1 3 . 1 1 81 81 VAL H H 81 8.390 8.390 8.564 -0.174 18229 1776 1 3 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.338 0.089 18229 1777 1 3 . 1 1 82 82 PRO C C 82 176.034 176.034 176.246 -0.212 18229 1778 1 3 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.110 -0.400 18229 1779 1 3 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.286 0.066 18229 1780 1 3 . 1 1 83 83 LYS N N 83 121.719 121.719 121.719 0.000 18229 1781 1 3 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.459 0.089 18229 1782 1 3 . 1 1 83 83 LYS CA C 83 53.856 53.856 54.687 -0.831 18229 1783 1 3 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.662 -0.332 18229 1784 1 3 . 1 1 83 83 LYS H H 83 8.308 8.308 8.228 0.080 18229 1785 1 3 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.507 -0.211 18229 1786 1 3 . 1 1 84 84 PRO C C 84 176.773 176.773 177.004 -0.231 18229 1787 1 3 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.310 0.246 18229 1788 1 3 . 1 1 84 84 PRO CB C 84 32.618 32.618 30.699 1.919 18229 1789 1 3 . 1 1 85 85 GLN N N 85 121.395 121.395 123.712 -2.317 18229 1790 1 3 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.105 0.036 18229 1791 1 3 . 1 1 85 85 GLN C C 85 174.940 174.940 174.881 0.059 18229 1792 1 3 . 1 1 85 85 GLN CA C 85 56.062 56.062 56.406 -0.344 18229 1793 1 3 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.666 0.064 18229 1794 1 3 . 1 1 85 85 GLN H H 85 8.464 8.464 8.131 0.333 18229 1795 1 3 . 1 1 86 86 ARG N N 86 121.035 121.035 116.184 4.851 18229 1796 1 3 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.741 0.386 18229 1797 1 3 . 1 1 86 86 ARG C C 86 175.052 175.052 174.921 0.131 18229 1798 1 3 . 1 1 86 86 ARG CA C 86 54.534 54.534 55.499 -0.965 18229 1799 1 3 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.121 0.212 18229 1800 1 3 . 1 1 86 86 ARG H H 86 8.248 8.248 8.329 -0.080 18229 1801 1 3 . 1 1 87 87 HIS N N 87 120.780 120.780 121.929 -1.149 18229 1802 1 3 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.531 0.151 18229 1803 1 3 . 1 1 87 87 HIS C C 87 173.558 173.558 173.610 -0.052 18229 1804 1 3 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.847 -0.655 18229 1805 1 3 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.548 2.506 18229 1806 1 3 . 1 1 87 87 HIS H H 87 8.659 8.659 9.044 -0.385 18229 1807 1 3 . 1 1 88 88 MET N N 88 126.780 126.780 123.395 3.385 18229 1808 1 3 . 1 1 88 88 MET HA H 88 5.283 5.283 4.340 0.943 18229 1809 1 3 . 1 1 88 88 MET C C 88 173.297 173.297 173.545 -0.248 18229 1810 1 3 . 1 1 88 88 MET CA C 88 54.835 54.835 55.159 -0.324 18229 1811 1 3 . 1 1 88 88 MET CB C 88 35.794 35.794 34.515 1.279 18229 1812 1 3 . 1 1 88 88 MET H H 88 8.710 8.710 8.142 0.568 18229 1813 1 3 . 1 1 89 89 PHE N N 89 122.543 122.543 123.644 -1.101 18229 1814 1 3 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.402 -0.207 18229 1815 1 3 . 1 1 89 89 PHE C C 89 174.410 174.410 174.927 -0.517 18229 1816 1 3 . 1 1 89 89 PHE CA C 89 56.379 56.379 56.069 0.310 18229 1817 1 3 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.784 2.405 18229 1818 1 3 . 1 1 89 89 PHE H H 89 8.969 8.969 9.171 -0.202 18229 1819 1 3 . 1 1 90 90 SER N N 90 116.192 116.192 120.813 -4.621 18229 1820 1 3 . 1 1 90 90 SER HA H 90 5.696 5.696 4.861 0.835 18229 1821 1 3 . 1 1 90 90 SER C C 90 173.030 173.030 173.947 -0.917 18229 1822 1 3 . 1 1 90 90 SER CA C 90 56.771 56.771 58.663 -1.892 18229 1823 1 3 . 1 1 90 90 SER CB C 90 64.961 64.961 63.745 1.216 18229 1824 1 3 . 1 1 90 90 SER H H 90 8.657 8.657 8.505 0.152 18229 1825 1 3 . 1 1 91 91 PHE N N 91 120.710 120.710 125.265 -4.555 18229 1826 1 3 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.654 0.233 18229 1827 1 3 . 1 1 91 91 PHE C C 91 174.442 174.442 175.500 -1.058 18229 1828 1 3 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.260 -0.834 18229 1829 1 3 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.546 2.846 18229 1830 1 3 . 1 1 91 91 PHE H H 91 9.001 9.001 8.951 0.050 18229 1831 1 3 . 1 1 92 92 ASN N N 92 115.967 115.967 119.704 -3.737 18229 1832 1 3 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.792 0.315 18229 1833 1 3 . 1 1 92 92 ASN C C 92 174.835 174.835 173.653 1.182 18229 1834 1 3 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.251 -1.000 18229 1835 1 3 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.204 0.685 18229 1836 1 3 . 1 1 92 92 ASN H H 92 9.093 9.093 8.792 0.301 18229 1837 1 3 . 1 1 93 93 ASN N N 93 118.401 118.401 117.034 1.367 18229 1838 1 3 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.812 0.110 18229 1839 1 3 . 1 1 93 93 ASN C C 93 174.524 174.524 174.634 -0.110 18229 1840 1 3 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.367 -0.354 18229 1841 1 3 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.140 1.621 18229 1842 1 3 . 1 1 93 93 ASN H H 93 7.252 7.252 7.861 -0.609 18229 1843 1 3 . 1 1 94 94 ARG N N 94 129.175 129.175 123.994 5.181 18229 1844 1 3 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.026 -0.161 18229 1845 1 3 . 1 1 94 94 ARG C C 94 176.797 176.797 177.327 -0.530 18229 1846 1 3 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.291 0.192 18229 1847 1 3 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.402 -0.273 18229 1848 1 3 . 1 1 94 94 ARG H H 94 9.309 9.309 8.754 0.555 18229 1849 1 3 . 1 1 95 95 THR N N 95 115.594 115.594 114.226 1.368 18229 1850 1 3 . 1 1 95 95 THR HA H 95 4.021 4.021 4.199 -0.178 18229 1851 1 3 . 1 1 95 95 THR C C 95 176.735 176.735 176.120 0.615 18229 1852 1 3 . 1 1 95 95 THR CA C 95 66.430 66.430 66.371 0.059 18229 1853 1 3 . 1 1 95 95 THR CB C 95 68.357 68.357 68.420 -0.063 18229 1854 1 3 . 1 1 95 95 THR H H 95 7.973 7.973 8.281 -0.308 18229 1855 1 3 . 1 1 96 96 VAL N N 96 121.833 121.833 120.247 1.586 18229 1856 1 3 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.858 -0.075 18229 1857 1 3 . 1 1 96 96 VAL C C 96 177.561 177.561 178.020 -0.459 18229 1858 1 3 . 1 1 96 96 VAL CA C 96 66.125 66.125 65.948 0.177 18229 1859 1 3 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.055 1.147 18229 1860 1 3 . 1 1 96 96 VAL H H 96 7.565 7.565 7.550 0.015 18229 1861 1 3 . 1 1 97 97 MET N N 97 117.429 117.429 118.540 -1.111 18229 1862 1 3 . 1 1 97 97 MET HA H 97 4.551 4.551 3.313 1.238 18229 1863 1 3 . 1 1 97 97 MET C C 97 177.257 177.257 177.595 -0.338 18229 1864 1 3 . 1 1 97 97 MET CA C 97 59.753 59.753 58.454 1.299 18229 1865 1 3 . 1 1 97 97 MET CB C 97 32.515 32.515 31.610 0.905 18229 1866 1 3 . 1 1 97 97 MET H H 97 7.336 7.336 8.583 -1.247 18229 1867 1 3 . 1 1 98 98 ASP N N 98 118.159 118.159 119.919 -1.760 18229 1868 1 3 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.319 -0.004 18229 1869 1 3 . 1 1 98 98 ASP C C 98 178.771 178.771 177.864 0.907 18229 1870 1 3 . 1 1 98 98 ASP CA C 98 57.604 57.604 56.645 0.959 18229 1871 1 3 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.987 -1.323 18229 1872 1 3 . 1 1 98 98 ASP H H 98 8.712 8.712 8.096 0.616 18229 1873 1 3 . 1 1 99 99 ASN N N 99 120.354 120.354 118.356 1.998 18229 1874 1 3 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.584 -0.104 18229 1875 1 3 . 1 1 99 99 ASN C C 99 178.232 178.232 177.436 0.796 18229 1876 1 3 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.298 1.002 18229 1877 1 3 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.709 -0.261 18229 1878 1 3 . 1 1 99 99 ASN H H 99 8.084 8.084 7.595 0.489 18229 1879 1 3 . 1 1 100 100 ILE N N 100 120.990 120.990 121.625 -0.635 18229 1880 1 3 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.742 -0.105 18229 1881 1 3 . 1 1 100 100 ILE C C 100 177.463 177.463 178.226 -0.763 18229 1882 1 3 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.939 -2.166 18229 1883 1 3 . 1 1 100 100 ILE CB C 100 35.467 35.467 36.810 -1.343 18229 1884 1 3 . 1 1 100 100 ILE H H 100 8.017 8.017 8.766 -0.749 18229 1885 1 3 . 1 1 101 101 LYS N N 101 120.814 120.814 119.168 1.646 18229 1886 1 3 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.800 -0.165 18229 1887 1 3 . 1 1 101 101 LYS C C 101 177.365 177.365 179.087 -1.722 18229 1888 1 3 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.915 0.721 18229 1889 1 3 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.054 0.937 18229 1890 1 3 . 1 1 101 101 LYS H H 101 8.944 8.944 7.848 1.096 18229 1891 1 3 . 1 1 102 102 MET N N 102 116.514 116.514 117.715 -1.201 18229 1892 1 3 . 1 1 102 102 MET HA H 102 4.209 4.209 4.232 -0.023 18229 1893 1 3 . 1 1 102 102 MET C C 102 178.925 178.925 178.193 0.732 18229 1894 1 3 . 1 1 102 102 MET CA C 102 58.720 58.720 58.898 -0.177 18229 1895 1 3 . 1 1 102 102 MET CB C 102 32.299 32.299 32.899 -0.600 18229 1896 1 3 . 1 1 102 102 MET H H 102 8.123 8.123 7.422 0.701 18229 1897 1 3 . 1 1 103 103 THR N N 103 118.583 118.583 118.103 0.480 18229 1898 1 3 . 1 1 103 103 THR HA H 103 3.882 3.882 3.925 -0.043 18229 1899 1 3 . 1 1 103 103 THR C C 103 176.474 176.474 176.806 -0.332 18229 1900 1 3 . 1 1 103 103 THR CA C 103 66.489 66.489 67.069 -0.580 18229 1901 1 3 . 1 1 103 103 THR CB C 103 67.864 67.864 68.806 -0.942 18229 1902 1 3 . 1 1 103 103 THR H H 103 7.768 7.768 8.590 -0.822 18229 1903 1 3 . 1 1 104 104 LEU N N 104 119.575 119.575 121.252 -1.677 18229 1904 1 3 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.907 -0.025 18229 1905 1 3 . 1 1 104 104 LEU C C 104 177.935 177.935 179.064 -1.129 18229 1906 1 3 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.578 -0.602 18229 1907 1 3 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.218 1.103 18229 1908 1 3 . 1 1 104 104 LEU H H 104 8.537 8.537 8.731 -0.194 18229 1909 1 3 . 1 1 105 105 GLN N N 105 119.463 119.463 117.937 1.526 18229 1910 1 3 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.806 -0.097 18229 1911 1 3 . 1 1 105 105 GLN C C 105 178.507 178.507 178.594 -0.087 18229 1912 1 3 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.260 0.480 18229 1913 1 3 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.312 0.327 18229 1914 1 3 . 1 1 105 105 GLN H H 105 8.736 8.736 7.687 1.049 18229 1915 1 3 . 1 1 106 106 GLN N N 106 118.984 118.984 118.092 0.892 18229 1916 1 3 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.992 -0.016 18229 1917 1 3 . 1 1 106 106 GLN C C 106 178.454 178.454 178.326 0.128 18229 1918 1 3 . 1 1 106 106 GLN CA C 106 59.018 59.018 59.000 0.018 18229 1919 1 3 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.731 -0.279 18229 1920 1 3 . 1 1 106 106 GLN H H 106 7.689 7.689 8.170 -0.481 18229 1921 1 3 . 1 1 107 107 ILE N N 107 119.928 119.928 117.450 2.478 18229 1922 1 3 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.918 -0.455 18229 1923 1 3 . 1 1 107 107 ILE C C 107 177.492 177.492 177.993 -0.501 18229 1924 1 3 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.942 1.500 18229 1925 1 3 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.593 0.902 18229 1926 1 3 . 1 1 107 107 ILE H H 107 7.910 7.910 7.404 0.506 18229 1927 1 3 . 1 1 108 108 ILE N N 108 117.958 117.958 121.489 -3.531 18229 1928 1 3 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.424 2.335 18229 1929 1 3 . 1 1 108 108 ILE C C 108 178.625 178.625 177.913 0.712 18229 1930 1 3 . 1 1 108 108 ILE CA C 108 65.579 65.579 65.007 0.572 18229 1931 1 3 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.582 1.670 18229 1932 1 3 . 1 1 108 108 ILE H H 108 8.767 8.767 8.558 0.209 18229 1933 1 3 . 1 1 109 109 SER N N 109 113.450 113.450 114.301 -0.851 18229 1934 1 3 . 1 1 109 109 SER HA H 109 4.271 4.271 3.976 0.295 18229 1935 1 3 . 1 1 109 109 SER C C 109 175.966 175.966 176.309 -0.343 18229 1936 1 3 . 1 1 109 109 SER CA C 109 62.205 62.205 61.814 0.391 18229 1937 1 3 . 1 1 109 109 SER CB C 109 63.094 63.094 62.871 0.223 18229 1938 1 3 . 1 1 109 109 SER H H 109 7.797 7.797 8.250 -0.453 18229 1939 1 3 . 1 1 110 110 ARG N N 110 120.739 120.739 120.626 0.113 18229 1940 1 3 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.147 -0.028 18229 1941 1 3 . 1 1 110 110 ARG C C 110 179.056 179.056 179.214 -0.158 18229 1942 1 3 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.978 -0.158 18229 1943 1 3 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.409 -0.610 18229 1944 1 3 . 1 1 110 110 ARG H H 110 7.450 7.450 8.049 -0.599 18229 1945 1 3 . 1 1 111 111 TYR N N 111 117.972 117.972 118.375 -0.403 18229 1946 1 3 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.408 0.298 18229 1947 1 3 . 1 1 111 111 TYR C C 111 177.853 177.853 178.139 -0.286 18229 1948 1 3 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.606 1.007 18229 1949 1 3 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.440 -0.132 18229 1950 1 3 . 1 1 111 111 TYR H H 111 7.558 7.558 8.435 -0.877 18229 1951 1 3 . 1 1 112 112 LYS N N 112 120.615 120.615 118.030 2.585 18229 1952 1 3 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.527 -0.146 18229 1953 1 3 . 1 1 112 112 LYS C C 112 177.893 177.893 178.113 -0.220 18229 1954 1 3 . 1 1 112 112 LYS CA C 112 57.589 57.589 56.862 0.727 18229 1955 1 3 . 1 1 112 112 LYS CB C 112 32.603 32.603 31.931 0.672 18229 1956 1 3 . 1 1 112 112 LYS H H 112 8.080 8.080 7.389 0.691 18229 1957 1 3 . 1 1 113 113 ASP N N 113 120.325 120.325 119.909 0.416 18229 1958 1 3 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.493 0.151 18229 1959 1 3 . 1 1 113 113 ASP C C 113 176.950 176.950 177.366 -0.416 18229 1960 1 3 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.428 -1.165 18229 1961 1 3 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.610 0.281 18229 1962 1 3 . 1 1 113 113 ASP H H 113 8.191 8.191 8.451 -0.260 18229 1963 1 3 . 1 1 114 114 ALA N N 114 122.906 122.906 120.050 2.856 18229 1964 1 3 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.381 -0.033 18229 1965 1 3 . 1 1 114 114 ALA C C 114 178.055 178.055 177.096 0.959 18229 1966 1 3 . 1 1 114 114 ALA CA C 114 53.174 53.174 53.041 0.133 18229 1967 1 3 . 1 1 114 114 ALA CB C 114 19.100 19.100 20.055 -0.955 18229 1968 1 3 . 1 1 114 114 ALA H H 114 7.900 7.900 7.712 0.188 18229 1969 1 4 . 1 1 2 2 SER N N 2 113.055 113.055 115.173 -2.118 18229 1970 1 4 . 1 1 2 2 SER HA H 2 4.418 4.418 4.500 -0.082 18229 1971 1 4 . 1 1 2 2 SER C C 2 174.994 174.994 174.829 0.165 18229 1972 1 4 . 1 1 2 2 SER CA C 2 58.540 58.540 59.574 -1.034 18229 1973 1 4 . 1 1 2 2 SER CB C 2 63.748 63.748 63.794 -0.046 18229 1974 1 4 . 1 1 2 2 SER H H 2 8.061 8.061 8.178 -0.117 18229 1975 1 4 . 1 1 3 3 HIS N N 3 119.062 119.062 117.171 1.891 18229 1976 1 4 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.637 0.098 18229 1977 1 4 . 1 1 3 3 HIS C C 3 173.417 173.417 173.636 -0.219 18229 1978 1 4 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.153 0.151 18229 1979 1 4 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.053 0.494 18229 1980 1 4 . 1 1 3 3 HIS H H 3 8.410 8.410 8.383 0.027 18229 1981 1 4 . 1 1 4 4 SER N N 4 113.520 113.520 112.573 0.947 18229 1982 1 4 . 1 1 4 4 SER HA H 4 5.516 5.516 5.100 0.416 18229 1983 1 4 . 1 1 4 4 SER C C 4 173.602 173.602 172.894 0.708 18229 1984 1 4 . 1 1 4 4 SER CA C 4 57.005 57.005 57.520 -0.515 18229 1985 1 4 . 1 1 4 4 SER CB C 4 65.989 65.989 66.602 -0.613 18229 1986 1 4 . 1 1 4 4 SER H H 4 7.817 7.817 7.315 0.502 18229 1987 1 4 . 1 1 5 5 GLY N N 5 106.959 106.959 106.025 0.934 18229 1988 1 4 . 1 1 5 5 GLY C C 5 171.058 171.058 172.145 -1.087 18229 1989 1 4 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.729 -0.258 18229 1990 1 4 . 1 1 5 5 GLY H H 5 8.356 8.356 8.603 -0.247 18229 1991 1 4 . 1 1 6 6 ALA N N 6 125.264 125.264 123.910 1.354 18229 1992 1 4 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.546 0.415 18229 1993 1 4 . 1 1 6 6 ALA C C 6 176.831 176.831 175.884 0.947 18229 1994 1 4 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.865 0.880 18229 1995 1 4 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.151 -0.771 18229 1996 1 4 . 1 1 6 6 ALA H H 6 8.641 8.641 8.526 0.115 18229 1997 1 4 . 1 1 7 7 ALA N N 7 119.937 119.937 122.835 -2.898 18229 1998 1 4 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.246 0.409 18229 1999 1 4 . 1 1 7 7 ALA C C 7 176.683 176.683 175.662 1.021 18229 2000 1 4 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.409 1.336 18229 2001 1 4 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.188 1.849 18229 2002 1 4 . 1 1 7 7 ALA H H 7 8.370 8.370 7.750 0.620 18229 2003 1 4 . 1 1 8 8 ILE N N 8 125.430 125.430 119.630 5.800 18229 2004 1 4 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.246 -0.251 18229 2005 1 4 . 1 1 8 8 ILE C C 8 175.310 175.310 174.926 0.384 18229 2006 1 4 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.298 1.654 18229 2007 1 4 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.189 1.498 18229 2008 1 4 . 1 1 8 8 ILE H H 8 9.349 9.349 8.351 0.998 18229 2009 1 4 . 1 1 9 9 PHE N N 9 128.906 128.906 128.059 0.847 18229 2010 1 4 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.346 -0.054 18229 2011 1 4 . 1 1 9 9 PHE C C 9 173.925 173.925 174.641 -0.716 18229 2012 1 4 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.263 1.008 18229 2013 1 4 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.679 -0.112 18229 2014 1 4 . 1 1 9 9 PHE H H 9 8.450 8.450 8.652 -0.202 18229 2015 1 4 . 1 1 10 10 GLU N N 10 126.509 126.509 127.603 -1.094 18229 2016 1 4 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.782 -0.578 18229 2017 1 4 . 1 1 10 10 GLU C C 10 175.157 175.157 175.648 -0.491 18229 2018 1 4 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.035 -0.256 18229 2019 1 4 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.920 -1.471 18229 2020 1 4 . 1 1 10 10 GLU H H 10 8.749 8.749 8.851 -0.102 18229 2021 1 4 . 1 1 11 11 LYS N N 11 105.729 105.729 110.682 -4.953 18229 2022 1 4 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.895 -0.492 18229 2023 1 4 . 1 1 11 11 LYS C C 11 175.543 175.543 175.426 0.117 18229 2024 1 4 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.952 0.602 18229 2025 1 4 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.616 -1.439 18229 2026 1 4 . 1 1 11 11 LYS H H 11 7.931 7.931 8.448 -0.517 18229 2027 1 4 . 1 1 12 12 VAL N N 12 123.753 123.753 120.984 2.769 18229 2028 1 4 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.297 0.120 18229 2029 1 4 . 1 1 12 12 VAL C C 12 175.120 175.120 175.477 -0.357 18229 2030 1 4 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.567 0.205 18229 2031 1 4 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.614 -0.333 18229 2032 1 4 . 1 1 12 12 VAL H H 12 7.901 7.901 7.310 0.591 18229 2033 1 4 . 1 1 13 13 SER N N 13 121.941 121.941 120.059 1.882 18229 2034 1 4 . 1 1 13 13 SER HA H 13 4.627 4.627 5.205 -0.578 18229 2035 1 4 . 1 1 13 13 SER C C 13 175.339 175.339 174.132 1.207 18229 2036 1 4 . 1 1 13 13 SER CA C 13 59.813 59.813 58.028 1.786 18229 2037 1 4 . 1 1 13 13 SER CB C 13 63.763 63.763 64.483 -0.720 18229 2038 1 4 . 1 1 13 13 SER H H 13 8.876 8.876 8.693 0.183 18229 2039 1 4 . 1 1 14 14 GLY N N 14 113.199 113.199 114.409 -1.210 18229 2040 1 4 . 1 1 14 14 GLY C C 14 172.742 172.742 172.765 -0.023 18229 2041 1 4 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.250 2.270 18229 2042 1 4 . 1 1 14 14 GLY H H 14 8.277 8.277 8.822 -0.545 18229 2043 1 4 . 1 1 15 15 ILE N N 15 123.240 123.240 120.090 3.150 18229 2044 1 4 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.460 0.350 18229 2045 1 4 . 1 1 15 15 ILE C C 15 175.370 175.370 173.895 1.475 18229 2046 1 4 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.904 0.416 18229 2047 1 4 . 1 1 15 15 ILE CB C 15 41.606 41.606 40.957 0.649 18229 2048 1 4 . 1 1 15 15 ILE H H 15 8.298 8.298 8.353 -0.055 18229 2049 1 4 . 1 1 16 16 ILE N N 16 127.865 127.865 128.005 -0.140 18229 2050 1 4 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.630 0.370 18229 2051 1 4 . 1 1 16 16 ILE C C 16 173.119 173.119 174.092 -0.973 18229 2052 1 4 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.951 -0.196 18229 2053 1 4 . 1 1 16 16 ILE CB C 16 41.868 41.868 39.742 2.126 18229 2054 1 4 . 1 1 16 16 ILE H H 16 9.428 9.428 9.070 0.358 18229 2055 1 4 . 1 1 17 17 ALA N N 17 127.742 127.742 131.850 -4.108 18229 2056 1 4 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.945 0.129 18229 2057 1 4 . 1 1 17 17 ALA C C 17 176.203 176.203 176.270 -0.067 18229 2058 1 4 . 1 1 17 17 ALA CA C 17 51.391 51.391 50.223 1.168 18229 2059 1 4 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.123 1.067 18229 2060 1 4 . 1 1 17 17 ALA H H 17 8.966 8.966 8.787 0.179 18229 2061 1 4 . 1 1 18 18 ILE N N 18 122.269 122.269 123.961 -1.692 18229 2062 1 4 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.244 0.377 18229 2063 1 4 . 1 1 18 18 ILE C C 18 174.306 174.306 175.838 -1.532 18229 2064 1 4 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.457 -0.957 18229 2065 1 4 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.316 -0.169 18229 2066 1 4 . 1 1 18 18 ILE H H 18 8.672 8.672 8.136 0.536 18229 2067 1 4 . 1 1 19 19 ASN N N 19 127.575 127.575 125.768 1.807 18229 2068 1 4 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.803 0.259 18229 2069 1 4 . 1 1 19 19 ASN C C 19 174.730 174.730 174.429 0.301 18229 2070 1 4 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.643 -0.914 18229 2071 1 4 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.678 -0.182 18229 2072 1 4 . 1 1 19 19 ASN H H 19 9.350 9.350 9.081 0.269 18229 2073 1 4 . 1 1 20 20 GLU N N 20 121.547 121.547 122.182 -0.635 18229 2074 1 4 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.110 0.567 18229 2075 1 4 . 1 1 20 20 GLU C C 20 176.091 176.091 176.134 -0.043 18229 2076 1 4 . 1 1 20 20 GLU CA C 20 55.802 55.802 58.072 -2.270 18229 2077 1 4 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.877 0.795 18229 2078 1 4 . 1 1 20 20 GLU H H 20 9.037 9.037 8.211 0.826 18229 2079 1 4 . 1 1 21 21 ASP N N 21 121.086 121.086 117.709 3.377 18229 2080 1 4 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.551 0.078 18229 2081 1 4 . 1 1 21 21 ASP C C 21 175.651 175.651 176.036 -0.385 18229 2082 1 4 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.208 1.292 18229 2083 1 4 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.853 -0.304 18229 2084 1 4 . 1 1 21 21 ASP H H 21 8.706 8.706 8.213 0.493 18229 2085 1 4 . 1 1 22 22 VAL N N 22 113.108 113.108 115.987 -2.879 18229 2086 1 4 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.313 0.003 18229 2087 1 4 . 1 1 22 22 VAL C C 22 173.407 173.407 175.011 -1.604 18229 2088 1 4 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.586 -1.433 18229 2089 1 4 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.697 0.333 18229 2090 1 4 . 1 1 22 22 VAL H H 22 6.819 6.819 7.256 -0.437 18229 2091 1 4 . 1 1 23 23 SER N N 23 115.009 115.009 114.942 0.067 18229 2092 1 4 . 1 1 23 23 SER HA H 23 4.735 4.735 4.541 0.194 18229 2093 1 4 . 1 1 23 23 SER CA C 23 53.848 53.848 56.787 -2.939 18229 2094 1 4 . 1 1 23 23 SER CB C 23 64.810 64.810 63.224 1.586 18229 2095 1 4 . 1 1 23 23 SER H H 23 8.032 8.032 7.951 0.081 18229 2096 1 4 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.428 0.356 18229 2097 1 4 . 1 1 24 24 PRO C C 24 174.825 174.825 176.289 -1.464 18229 2098 1 4 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.443 0.405 18229 2099 1 4 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.571 2.230 18229 2100 1 4 . 1 1 25 25 ALA N N 25 120.477 120.477 122.341 -1.864 18229 2101 1 4 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.279 0.236 18229 2102 1 4 . 1 1 25 25 ALA C C 25 175.878 175.878 176.544 -0.666 18229 2103 1 4 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.419 0.189 18229 2104 1 4 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.014 0.440 18229 2105 1 4 . 1 1 25 25 ALA H H 25 8.013 8.013 8.200 -0.187 18229 2106 1 4 . 1 1 26 26 GLU N N 26 115.417 115.417 115.000 0.417 18229 2107 1 4 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.192 -0.121 18229 2108 1 4 . 1 1 26 26 GLU C C 26 174.599 174.599 174.492 0.107 18229 2109 1 4 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.475 -1.488 18229 2110 1 4 . 1 1 26 26 GLU CB C 26 34.265 34.265 34.892 -0.627 18229 2111 1 4 . 1 1 26 26 GLU H H 26 7.821 7.821 7.953 -0.132 18229 2112 1 4 . 1 1 27 27 LEU N N 27 124.622 124.622 123.449 1.173 18229 2113 1 4 . 1 1 27 27 LEU HA H 27 5.038 5.038 4.799 0.239 18229 2114 1 4 . 1 1 27 27 LEU C C 27 174.704 174.704 174.696 0.008 18229 2115 1 4 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.582 0.175 18229 2116 1 4 . 1 1 27 27 LEU CB C 27 45.646 45.646 45.438 0.208 18229 2117 1 4 . 1 1 27 27 LEU H H 27 8.863 8.863 9.232 -0.369 18229 2118 1 4 . 1 1 28 28 THR N N 28 121.755 121.755 120.773 0.982 18229 2119 1 4 . 1 1 28 28 THR HA H 28 5.152 5.152 4.980 0.172 18229 2120 1 4 . 1 1 28 28 THR C C 28 172.573 172.573 173.095 -0.522 18229 2121 1 4 . 1 1 28 28 THR CA C 28 61.452 61.452 62.743 -1.292 18229 2122 1 4 . 1 1 28 28 THR CB C 28 71.480 71.480 70.041 1.439 18229 2123 1 4 . 1 1 28 28 THR H H 28 9.276 9.276 8.049 1.227 18229 2124 1 4 . 1 1 29 29 TRP N N 29 128.764 128.764 131.103 -2.339 18229 2125 1 4 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.239 0.209 18229 2126 1 4 . 1 1 29 29 TRP C C 29 173.881 173.881 174.392 -0.511 18229 2127 1 4 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.270 -0.480 18229 2128 1 4 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.302 1.028 18229 2129 1 4 . 1 1 29 29 TRP H H 29 9.383 9.383 9.645 -0.262 18229 2130 1 4 . 1 1 30 30 ARG N N 30 126.417 126.417 130.517 -4.100 18229 2131 1 4 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.605 0.202 18229 2132 1 4 . 1 1 30 30 ARG C C 30 174.712 174.712 174.979 -0.267 18229 2133 1 4 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.751 -0.283 18229 2134 1 4 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.827 -0.009 18229 2135 1 4 . 1 1 30 30 ARG H H 30 7.579 7.579 9.108 -1.529 18229 2136 1 4 . 1 1 31 31 SER N N 31 118.415 118.415 120.368 -1.953 18229 2137 1 4 . 1 1 31 31 SER HA H 31 4.480 4.480 3.670 0.810 18229 2138 1 4 . 1 1 31 31 SER C C 31 176.360 176.360 175.212 1.148 18229 2139 1 4 . 1 1 31 31 SER CA C 31 58.070 58.070 59.169 -1.099 18229 2140 1 4 . 1 1 31 31 SER CB C 31 64.272 64.272 63.817 0.455 18229 2141 1 4 . 1 1 31 31 SER H H 31 8.078 8.078 8.694 -0.616 18229 2142 1 4 . 1 1 32 32 THR N N 32 119.175 119.175 120.763 -1.588 18229 2143 1 4 . 1 1 32 32 THR HA H 32 3.847 3.847 4.084 -0.237 18229 2144 1 4 . 1 1 32 32 THR C C 32 175.602 175.602 175.310 0.292 18229 2145 1 4 . 1 1 32 32 THR CA C 32 66.265 66.265 65.185 1.080 18229 2146 1 4 . 1 1 32 32 THR CB C 32 68.557 68.557 68.977 -0.420 18229 2147 1 4 . 1 1 32 32 THR H H 32 8.520 8.520 8.185 0.335 18229 2148 1 4 . 1 1 33 33 ASP N N 33 117.286 117.286 119.218 -1.932 18229 2149 1 4 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.607 0.010 18229 2150 1 4 . 1 1 33 33 ASP C C 33 177.056 177.056 176.681 0.375 18229 2151 1 4 . 1 1 33 33 ASP CA C 33 54.225 54.225 53.823 0.402 18229 2152 1 4 . 1 1 33 33 ASP CB C 33 40.878 40.878 40.499 0.379 18229 2153 1 4 . 1 1 33 33 ASP H H 33 8.223 8.223 7.831 0.392 18229 2154 1 4 . 1 1 34 34 GLY N N 34 109.197 109.197 107.556 1.641 18229 2155 1 4 . 1 1 34 34 GLY C C 34 173.762 173.762 174.891 -1.129 18229 2156 1 4 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.382 0.017 18229 2157 1 4 . 1 1 34 34 GLY H H 34 7.914 7.914 7.397 0.517 18229 2158 1 4 . 1 1 35 35 ASP N N 35 118.081 118.081 119.699 -1.618 18229 2159 1 4 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.587 -0.068 18229 2160 1 4 . 1 1 35 35 ASP C C 35 175.366 175.366 176.110 -0.744 18229 2161 1 4 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.268 -0.408 18229 2162 1 4 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.489 -0.516 18229 2163 1 4 . 1 1 35 35 ASP H H 35 8.238 8.238 8.581 -0.343 18229 2164 1 4 . 1 1 36 36 LYS N N 36 120.362 120.362 114.455 5.907 18229 2165 1 4 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.465 0.369 18229 2166 1 4 . 1 1 36 36 LYS C C 36 174.568 174.568 173.327 1.241 18229 2167 1 4 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.588 -0.052 18229 2168 1 4 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.811 0.968 18229 2169 1 4 . 1 1 36 36 LYS H H 36 7.749 7.749 7.613 0.136 18229 2170 1 4 . 1 1 37 37 VAL N N 37 121.758 121.758 120.045 1.713 18229 2171 1 4 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.257 0.014 18229 2172 1 4 . 1 1 37 37 VAL C C 37 175.209 175.209 174.052 1.157 18229 2173 1 4 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.438 -0.175 18229 2174 1 4 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.042 0.941 18229 2175 1 4 . 1 1 37 37 VAL H H 37 8.526 8.526 8.353 0.173 18229 2176 1 4 . 1 1 38 38 HIS N N 38 126.087 126.087 125.805 0.282 18229 2177 1 4 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.931 0.090 18229 2178 1 4 . 1 1 38 38 HIS C C 38 173.116 173.116 174.597 -1.481 18229 2179 1 4 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.710 1.098 18229 2180 1 4 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.493 0.490 18229 2181 1 4 . 1 1 38 38 HIS H H 38 9.633 9.633 9.396 0.237 18229 2182 1 4 . 1 1 39 39 THR N N 39 124.455 124.455 119.947 4.508 18229 2183 1 4 . 1 1 39 39 THR HA H 39 5.155 5.155 5.227 -0.072 18229 2184 1 4 . 1 1 39 39 THR C C 39 173.102 173.102 173.466 -0.364 18229 2185 1 4 . 1 1 39 39 THR CA C 39 61.637 61.637 61.625 0.012 18229 2186 1 4 . 1 1 39 39 THR CB C 39 70.716 70.716 70.016 0.700 18229 2187 1 4 . 1 1 39 39 THR H H 39 8.415 8.415 8.624 -0.209 18229 2188 1 4 . 1 1 40 40 VAL N N 40 126.066 126.066 123.589 2.477 18229 2189 1 4 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.181 -0.228 18229 2190 1 4 . 1 1 40 40 VAL C C 40 174.693 174.693 173.821 0.872 18229 2191 1 4 . 1 1 40 40 VAL CA C 40 60.348 60.348 59.742 0.606 18229 2192 1 4 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.172 -1.898 18229 2193 1 4 . 1 1 40 40 VAL H H 40 9.387 9.387 9.234 0.153 18229 2194 1 4 . 1 1 41 41 VAL N N 41 129.775 129.775 128.952 0.823 18229 2195 1 4 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.400 -0.412 18229 2196 1 4 . 1 1 41 41 VAL C C 41 179.424 179.424 177.015 2.409 18229 2197 1 4 . 1 1 41 41 VAL CA C 41 63.744 63.744 59.670 4.074 18229 2198 1 4 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.409 0.542 18229 2199 1 4 . 1 1 41 41 VAL H H 41 9.021 9.021 8.733 0.288 18229 2200 1 4 . 1 1 42 42 LEU N N 42 129.645 129.645 128.526 1.119 18229 2201 1 4 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.077 -0.104 18229 2202 1 4 . 1 1 42 42 LEU C C 42 176.259 176.259 177.971 -1.712 18229 2203 1 4 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.426 1.217 18229 2204 1 4 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.286 -0.458 18229 2205 1 4 . 1 1 42 42 LEU H H 42 9.147 9.147 8.550 0.597 18229 2206 1 4 . 1 1 43 43 SER N N 43 110.158 110.158 111.489 -1.331 18229 2207 1 4 . 1 1 43 43 SER HA H 43 4.310 4.310 4.277 0.033 18229 2208 1 4 . 1 1 43 43 SER C C 43 175.263 175.263 176.522 -1.259 18229 2209 1 4 . 1 1 43 43 SER CA C 43 59.620 59.620 60.956 -1.336 18229 2210 1 4 . 1 1 43 43 SER CB C 43 61.543 61.543 63.646 -2.103 18229 2211 1 4 . 1 1 43 43 SER H H 43 7.006 7.006 8.268 -1.262 18229 2212 1 4 . 1 1 44 44 THR N N 44 110.206 110.206 116.022 -5.816 18229 2213 1 4 . 1 1 44 44 THR HA H 44 4.504 4.504 4.151 0.353 18229 2214 1 4 . 1 1 44 44 THR C C 44 173.489 173.489 175.547 -2.058 18229 2215 1 4 . 1 1 44 44 THR CA C 44 62.024 62.024 64.830 -2.806 18229 2216 1 4 . 1 1 44 44 THR CB C 44 69.805 69.805 68.768 1.037 18229 2217 1 4 . 1 1 44 44 THR H H 44 7.571 7.571 7.823 -0.252 18229 2218 1 4 . 1 1 45 45 ILE N N 45 120.322 120.322 123.702 -3.380 18229 2219 1 4 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.261 0.006 18229 2220 1 4 . 1 1 45 45 ILE C C 45 174.103 174.103 176.282 -2.179 18229 2221 1 4 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.510 -3.540 18229 2222 1 4 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.889 0.671 18229 2223 1 4 . 1 1 45 45 ILE H H 45 6.975 6.975 8.005 -1.030 18229 2224 1 4 . 1 1 46 46 ASP N N 46 126.492 126.492 127.977 -1.485 18229 2225 1 4 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.423 0.288 18229 2226 1 4 . 1 1 46 46 ASP C C 46 175.431 175.431 175.526 -0.095 18229 2227 1 4 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.347 -1.514 18229 2228 1 4 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.772 2.763 18229 2229 1 4 . 1 1 46 46 ASP H H 46 9.262 9.262 8.848 0.414 18229 2230 1 4 . 1 1 47 47 LYS N N 47 112.726 112.726 113.008 -0.282 18229 2231 1 4 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.454 0.253 18229 2232 1 4 . 1 1 47 47 LYS C C 47 172.673 172.673 173.924 -1.251 18229 2233 1 4 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.554 -0.733 18229 2234 1 4 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.370 2.239 18229 2235 1 4 . 1 1 47 47 LYS H H 47 7.572 7.572 7.393 0.179 18229 2236 1 4 . 1 1 48 48 LEU N N 48 124.840 124.840 123.084 1.756 18229 2237 1 4 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.981 0.070 18229 2238 1 4 . 1 1 48 48 LEU C C 48 173.965 173.965 175.733 -1.768 18229 2239 1 4 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.288 -1.268 18229 2240 1 4 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.258 2.306 18229 2241 1 4 . 1 1 48 48 LEU H H 48 9.013 9.013 8.438 0.575 18229 2242 1 4 . 1 1 49 49 GLN N N 49 121.648 121.648 126.780 -5.132 18229 2243 1 4 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.721 0.797 18229 2244 1 4 . 1 1 49 49 GLN C C 49 174.700 174.700 173.927 0.773 18229 2245 1 4 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.765 -1.166 18229 2246 1 4 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.681 1.345 18229 2247 1 4 . 1 1 49 49 GLN H H 49 9.260 9.260 9.325 -0.065 18229 2248 1 4 . 1 1 50 50 ALA N N 50 122.020 122.020 125.287 -3.267 18229 2249 1 4 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.078 0.669 18229 2250 1 4 . 1 1 50 50 ALA C C 50 177.167 177.167 176.283 0.884 18229 2251 1 4 . 1 1 50 50 ALA CA C 50 50.592 50.592 50.949 -0.357 18229 2252 1 4 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.488 1.875 18229 2253 1 4 . 1 1 50 50 ALA H H 50 9.286 9.286 8.299 0.987 18229 2254 1 4 . 1 1 51 51 THR N N 51 114.222 114.222 115.710 -1.488 18229 2255 1 4 . 1 1 51 51 THR HA H 51 4.735 4.735 4.378 0.357 18229 2256 1 4 . 1 1 51 51 THR CA C 51 59.228 59.228 61.901 -2.673 18229 2257 1 4 . 1 1 51 51 THR CB C 51 67.954 67.954 68.383 -0.429 18229 2258 1 4 . 1 1 51 51 THR H H 51 8.340 8.340 9.043 -0.703 18229 2259 1 4 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.560 0.010 18229 2260 1 4 . 1 1 52 52 PRO C C 52 178.621 178.621 177.573 1.048 18229 2261 1 4 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.030 0.398 18229 2262 1 4 . 1 1 52 52 PRO CB C 52 32.719 32.719 33.084 -0.365 18229 2263 1 4 . 1 1 53 53 ALA N N 53 126.566 126.566 122.599 3.967 18229 2264 1 4 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.077 -0.022 18229 2265 1 4 . 1 1 53 53 ALA C C 53 177.578 177.578 179.244 -1.666 18229 2266 1 4 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.842 -0.022 18229 2267 1 4 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.386 -0.528 18229 2268 1 4 . 1 1 53 53 ALA H H 53 9.109 9.109 8.579 0.530 18229 2269 1 4 . 1 1 54 54 SER N N 54 107.184 107.184 110.338 -3.154 18229 2270 1 4 . 1 1 54 54 SER HA H 54 4.235 4.235 4.556 -0.321 18229 2271 1 4 . 1 1 54 54 SER C C 54 174.838 174.838 173.988 0.850 18229 2272 1 4 . 1 1 54 54 SER CA C 54 58.116 58.116 57.502 0.614 18229 2273 1 4 . 1 1 54 54 SER CB C 54 63.021 63.021 62.883 0.138 18229 2274 1 4 . 1 1 54 54 SER H H 54 7.595 7.595 7.939 -0.344 18229 2275 1 4 . 1 1 55 55 SER N N 55 117.098 117.098 117.178 -0.080 18229 2276 1 4 . 1 1 55 55 SER HA H 55 4.484 4.484 4.489 -0.005 18229 2277 1 4 . 1 1 55 55 SER C C 55 174.833 174.833 175.052 -0.219 18229 2278 1 4 . 1 1 55 55 SER CA C 55 57.510 57.510 58.084 -0.574 18229 2279 1 4 . 1 1 55 55 SER CB C 55 64.121 64.121 63.910 0.211 18229 2280 1 4 . 1 1 55 55 SER H H 55 7.613 7.613 7.871 -0.258 18229 2281 1 4 . 1 1 56 56 GLU N N 56 125.258 125.258 125.452 -0.194 18229 2282 1 4 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.095 0.034 18229 2283 1 4 . 1 1 56 56 GLU C C 56 177.852 177.852 176.381 1.471 18229 2284 1 4 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.006 -0.394 18229 2285 1 4 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.881 -0.457 18229 2286 1 4 . 1 1 56 56 GLU H H 56 8.849 8.849 8.767 0.082 18229 2287 1 4 . 1 1 57 57 LYS N N 57 119.058 119.058 115.616 3.442 18229 2288 1 4 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.563 -0.264 18229 2289 1 4 . 1 1 57 57 LYS C C 57 175.699 175.699 175.190 0.509 18229 2290 1 4 . 1 1 57 57 LYS CA C 57 55.645 55.645 54.273 1.372 18229 2291 1 4 . 1 1 57 57 LYS CB C 57 33.270 33.270 34.132 -0.862 18229 2292 1 4 . 1 1 57 57 LYS H H 57 8.060 8.060 7.312 0.748 18229 2293 1 4 . 1 1 58 58 MET N N 58 123.967 123.967 119.735 4.232 18229 2294 1 4 . 1 1 58 58 MET HA H 58 4.345 4.345 4.712 -0.367 18229 2295 1 4 . 1 1 58 58 MET C C 58 174.213 174.213 175.727 -1.514 18229 2296 1 4 . 1 1 58 58 MET CA C 58 55.170 55.170 55.259 -0.089 18229 2297 1 4 . 1 1 58 58 MET CB C 58 35.330 35.330 34.207 1.123 18229 2298 1 4 . 1 1 58 58 MET H H 58 8.828 8.828 8.661 0.167 18229 2299 1 4 . 1 1 59 59 MET N N 59 120.929 120.929 122.423 -1.494 18229 2300 1 4 . 1 1 59 59 MET HA H 59 5.905 5.905 5.251 0.654 18229 2301 1 4 . 1 1 59 59 MET C C 59 174.521 174.521 173.891 0.630 18229 2302 1 4 . 1 1 59 59 MET CA C 59 55.038 55.038 55.596 -0.558 18229 2303 1 4 . 1 1 59 59 MET CB C 59 39.549 39.549 37.807 1.742 18229 2304 1 4 . 1 1 59 59 MET H H 59 8.528 8.528 9.519 -0.991 18229 2305 1 4 . 1 1 60 60 LEU N N 60 117.623 117.623 122.711 -5.088 18229 2306 1 4 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.237 0.428 18229 2307 1 4 . 1 1 60 60 LEU C C 60 175.763 175.763 174.966 0.797 18229 2308 1 4 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.872 -0.687 18229 2309 1 4 . 1 1 60 60 LEU CB C 60 47.561 47.561 46.150 1.411 18229 2310 1 4 . 1 1 60 60 LEU H H 60 9.052 9.052 9.676 -0.624 18229 2311 1 4 . 1 1 61 61 ARG N N 61 120.407 120.407 121.267 -0.860 18229 2312 1 4 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.766 -0.295 18229 2313 1 4 . 1 1 61 61 ARG C C 61 173.286 173.286 173.862 -0.576 18229 2314 1 4 . 1 1 61 61 ARG CA C 61 54.931 54.931 55.041 -0.110 18229 2315 1 4 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.429 -0.094 18229 2316 1 4 . 1 1 61 61 ARG H H 61 9.180 9.180 9.535 -0.355 18229 2317 1 4 . 1 1 62 62 LEU N N 62 126.471 126.471 125.108 1.363 18229 2318 1 4 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.223 -0.025 18229 2319 1 4 . 1 1 62 62 LEU C C 62 175.447 175.447 175.930 -0.483 18229 2320 1 4 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.376 0.032 18229 2321 1 4 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.887 -1.454 18229 2322 1 4 . 1 1 62 62 LEU H H 62 9.203 9.203 9.395 -0.192 18229 2323 1 4 . 1 1 63 63 ILE N N 63 123.282 123.282 124.562 -1.280 18229 2324 1 4 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.263 0.434 18229 2325 1 4 . 1 1 63 63 ILE C C 63 176.525 176.525 176.414 0.111 18229 2326 1 4 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.977 -0.301 18229 2327 1 4 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.425 0.280 18229 2328 1 4 . 1 1 63 63 ILE H H 63 8.983 8.983 8.979 0.004 18229 2329 1 4 . 1 1 64 64 GLY N N 64 115.647 115.647 110.480 5.167 18229 2330 1 4 . 1 1 64 64 GLY C C 64 172.300 172.300 173.101 -0.801 18229 2331 1 4 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.945 1.717 18229 2332 1 4 . 1 1 64 64 GLY H H 64 9.372 9.372 8.366 1.006 18229 2333 1 4 . 1 1 65 65 LYS N N 65 119.107 119.107 126.671 -7.564 18229 2334 1 4 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.409 -0.103 18229 2335 1 4 . 1 1 65 65 LYS C C 65 177.404 177.404 175.954 1.450 18229 2336 1 4 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.033 -0.532 18229 2337 1 4 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.122 2.296 18229 2338 1 4 . 1 1 65 65 LYS H H 65 8.289 8.289 7.965 0.324 18229 2339 1 4 . 1 1 66 66 VAL N N 66 122.231 122.231 124.629 -2.398 18229 2340 1 4 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.213 -0.134 18229 2341 1 4 . 1 1 66 66 VAL C C 66 175.253 175.253 175.643 -0.390 18229 2342 1 4 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.241 0.895 18229 2343 1 4 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.839 -0.555 18229 2344 1 4 . 1 1 66 66 VAL H H 66 8.607 8.607 8.595 0.012 18229 2345 1 4 . 1 1 67 67 ASP N N 67 125.538 125.538 123.038 2.500 18229 2346 1 4 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.781 -0.082 18229 2347 1 4 . 1 1 67 67 ASP C C 67 176.601 176.601 176.637 -0.036 18229 2348 1 4 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.099 -0.042 18229 2349 1 4 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.510 0.362 18229 2350 1 4 . 1 1 67 67 ASP H H 67 8.457 8.457 8.484 -0.027 18229 2351 1 4 . 1 1 68 68 GLU N N 68 124.433 124.433 117.598 6.835 18229 2352 1 4 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.055 0.069 18229 2353 1 4 . 1 1 68 68 GLU C C 68 177.344 177.344 177.347 -0.003 18229 2354 1 4 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.382 -0.747 18229 2355 1 4 . 1 1 68 68 GLU CB C 68 29.680 29.680 28.969 0.711 18229 2356 1 4 . 1 1 68 68 GLU H H 68 8.712 8.712 8.224 0.488 18229 2357 1 4 . 1 1 69 69 SER N N 69 115.596 115.596 114.596 1.000 18229 2358 1 4 . 1 1 69 69 SER HA H 69 4.328 4.328 4.241 0.087 18229 2359 1 4 . 1 1 69 69 SER C C 69 175.180 175.180 175.422 -0.242 18229 2360 1 4 . 1 1 69 69 SER CA C 69 60.146 60.146 60.474 -0.328 18229 2361 1 4 . 1 1 69 69 SER CB C 69 63.383 63.383 63.079 0.304 18229 2362 1 4 . 1 1 69 69 SER H H 69 8.467 8.467 8.285 0.182 18229 2363 1 4 . 1 1 70 70 LYS N N 70 121.738 121.738 119.463 2.275 18229 2364 1 4 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.237 0.169 18229 2365 1 4 . 1 1 70 70 LYS C C 70 176.165 176.165 176.308 -0.143 18229 2366 1 4 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.611 -1.201 18229 2367 1 4 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.951 -0.451 18229 2368 1 4 . 1 1 70 70 LYS H H 70 7.675 7.675 7.642 0.033 18229 2369 1 4 . 1 1 71 71 LYS N N 71 121.087 121.087 117.095 3.992 18229 2370 1 4 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.083 0.325 18229 2371 1 4 . 1 1 71 71 LYS C C 71 176.134 176.134 175.079 1.055 18229 2372 1 4 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.202 -0.597 18229 2373 1 4 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.311 1.972 18229 2374 1 4 . 1 1 71 71 LYS H H 71 7.739 7.739 8.202 -0.463 18229 2375 1 4 . 1 1 72 72 ARG N N 72 122.147 122.147 119.346 2.801 18229 2376 1 4 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.611 -0.027 18229 2377 1 4 . 1 1 72 72 ARG C C 72 175.217 175.217 174.251 0.966 18229 2378 1 4 . 1 1 72 72 ARG CA C 72 55.041 55.041 53.830 1.211 18229 2379 1 4 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.033 0.321 18229 2380 1 4 . 1 1 72 72 ARG H H 72 8.402 8.402 7.772 0.630 18229 2381 1 4 . 1 1 73 73 LYS N N 73 121.242 121.242 119.458 1.784 18229 2382 1 4 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.588 0.311 18229 2383 1 4 . 1 1 73 73 LYS C C 73 176.966 176.966 175.745 1.221 18229 2384 1 4 . 1 1 73 73 LYS CA C 73 55.365 55.365 55.617 -0.252 18229 2385 1 4 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.493 0.138 18229 2386 1 4 . 1 1 73 73 LYS H H 73 8.386 8.386 8.153 0.233 18229 2387 1 4 . 1 1 74 74 ASP N N 74 122.007 122.007 118.569 3.438 18229 2388 1 4 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.658 -0.007 18229 2389 1 4 . 1 1 74 74 ASP C C 74 177.401 177.401 176.538 0.863 18229 2390 1 4 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.615 -2.775 18229 2391 1 4 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.835 -0.827 18229 2392 1 4 . 1 1 74 74 ASP H H 74 8.559 8.559 8.539 0.020 18229 2393 1 4 . 1 1 75 75 ASN N N 75 116.263 116.263 115.487 0.776 18229 2394 1 4 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.728 -0.193 18229 2395 1 4 . 1 1 75 75 ASN C C 75 175.944 175.944 174.197 1.747 18229 2396 1 4 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.368 1.509 18229 2397 1 4 . 1 1 75 75 ASN CB C 75 38.110 38.110 39.213 -1.103 18229 2398 1 4 . 1 1 75 75 ASN H H 75 8.414 8.414 8.102 0.312 18229 2399 1 4 . 1 1 76 76 GLU N N 76 118.940 118.940 121.095 -2.155 18229 2400 1 4 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.460 -0.067 18229 2401 1 4 . 1 1 76 76 GLU C C 76 176.512 176.512 176.545 -0.033 18229 2402 1 4 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.935 0.231 18229 2403 1 4 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.798 0.212 18229 2404 1 4 . 1 1 76 76 GLU H H 76 8.133 8.133 8.340 -0.207 18229 2405 1 4 . 1 1 77 77 GLY N N 77 108.056 108.056 108.606 -0.550 18229 2406 1 4 . 1 1 77 77 GLY C C 77 174.193 174.193 174.213 -0.020 18229 2407 1 4 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.742 -0.455 18229 2408 1 4 . 1 1 77 77 GLY H H 77 8.083 8.083 8.336 -0.253 18229 2409 1 4 . 1 1 78 78 ASN N N 78 119.896 119.896 118.102 1.794 18229 2410 1 4 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.526 0.216 18229 2411 1 4 . 1 1 78 78 ASN C C 78 175.006 175.006 174.239 0.767 18229 2412 1 4 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.657 -0.830 18229 2413 1 4 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.382 -0.386 18229 2414 1 4 . 1 1 78 78 ASN H H 78 8.537 8.537 8.106 0.431 18229 2415 1 4 . 1 1 79 79 GLU N N 79 121.648 121.648 117.509 4.139 18229 2416 1 4 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.525 -0.054 18229 2417 1 4 . 1 1 79 79 GLU C C 79 176.268 176.268 175.900 0.368 18229 2418 1 4 . 1 1 79 79 GLU CA C 79 56.610 56.610 56.015 0.595 18229 2419 1 4 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.817 -1.510 18229 2420 1 4 . 1 1 79 79 GLU H H 79 8.674 8.674 8.262 0.412 18229 2421 1 4 . 1 1 80 80 VAL N N 80 124.083 124.083 124.241 -0.158 18229 2422 1 4 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.316 -0.068 18229 2423 1 4 . 1 1 80 80 VAL C C 80 175.537 175.537 176.607 -1.070 18229 2424 1 4 . 1 1 80 80 VAL CA C 80 61.465 61.465 62.502 -1.037 18229 2425 1 4 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.771 0.782 18229 2426 1 4 . 1 1 80 80 VAL H H 80 8.554 8.554 9.190 -0.636 18229 2427 1 4 . 1 1 81 81 VAL N N 81 126.640 126.640 120.369 6.271 18229 2428 1 4 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.856 0.571 18229 2429 1 4 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.914 -2.309 18229 2430 1 4 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.183 1.693 18229 2431 1 4 . 1 1 81 81 VAL H H 81 8.390 8.390 8.018 0.372 18229 2432 1 4 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.315 0.112 18229 2433 1 4 . 1 1 82 82 PRO C C 82 176.034 176.034 175.935 0.099 18229 2434 1 4 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.744 -1.034 18229 2435 1 4 . 1 1 82 82 PRO CB C 82 32.352 32.352 31.909 0.443 18229 2436 1 4 . 1 1 83 83 LYS N N 83 121.719 121.719 122.184 -0.465 18229 2437 1 4 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.643 -0.095 18229 2438 1 4 . 1 1 83 83 LYS CA C 83 53.856 53.856 53.305 0.551 18229 2439 1 4 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.297 0.033 18229 2440 1 4 . 1 1 83 83 LYS H H 83 8.308 8.308 8.098 0.210 18229 2441 1 4 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.502 -0.206 18229 2442 1 4 . 1 1 84 84 PRO C C 84 176.773 176.773 176.052 0.721 18229 2443 1 4 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.455 0.101 18229 2444 1 4 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.009 0.609 18229 2445 1 4 . 1 1 85 85 GLN N N 85 121.395 121.395 124.199 -2.804 18229 2446 1 4 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.292 -0.151 18229 2447 1 4 . 1 1 85 85 GLN C C 85 174.940 174.940 174.882 0.058 18229 2448 1 4 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.453 0.609 18229 2449 1 4 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.298 0.432 18229 2450 1 4 . 1 1 85 85 GLN H H 85 8.464 8.464 8.507 -0.043 18229 2451 1 4 . 1 1 86 86 ARG N N 86 121.035 121.035 123.896 -2.861 18229 2452 1 4 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.771 0.356 18229 2453 1 4 . 1 1 86 86 ARG C C 86 175.052 175.052 175.629 -0.577 18229 2454 1 4 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.625 -0.091 18229 2455 1 4 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.477 0.856 18229 2456 1 4 . 1 1 86 86 ARG H H 86 8.248 8.248 8.451 -0.203 18229 2457 1 4 . 1 1 87 87 HIS N N 87 120.780 120.780 123.041 -2.261 18229 2458 1 4 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.536 0.146 18229 2459 1 4 . 1 1 87 87 HIS C C 87 173.558 173.558 173.667 -0.109 18229 2460 1 4 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.955 -0.762 18229 2461 1 4 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.457 2.597 18229 2462 1 4 . 1 1 87 87 HIS H H 87 8.659 8.659 9.109 -0.450 18229 2463 1 4 . 1 1 88 88 MET N N 88 126.780 126.780 123.330 3.450 18229 2464 1 4 . 1 1 88 88 MET HA H 88 5.283 5.283 4.829 0.454 18229 2465 1 4 . 1 1 88 88 MET C C 88 173.297 173.297 173.478 -0.181 18229 2466 1 4 . 1 1 88 88 MET CA C 88 54.835 54.835 54.168 0.667 18229 2467 1 4 . 1 1 88 88 MET CB C 88 35.794 35.794 35.099 0.695 18229 2468 1 4 . 1 1 88 88 MET H H 88 8.710 8.710 8.091 0.619 18229 2469 1 4 . 1 1 89 89 PHE N N 89 122.543 122.543 122.762 -0.219 18229 2470 1 4 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.323 -0.128 18229 2471 1 4 . 1 1 89 89 PHE C C 89 174.410 174.410 174.873 -0.463 18229 2472 1 4 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.605 0.774 18229 2473 1 4 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.955 2.234 18229 2474 1 4 . 1 1 89 89 PHE H H 89 8.969 8.969 9.641 -0.672 18229 2475 1 4 . 1 1 90 90 SER N N 90 116.192 116.192 119.662 -3.470 18229 2476 1 4 . 1 1 90 90 SER HA H 90 5.696 5.696 4.908 0.788 18229 2477 1 4 . 1 1 90 90 SER C C 90 173.030 173.030 173.902 -0.872 18229 2478 1 4 . 1 1 90 90 SER CA C 90 56.771 56.771 57.907 -1.136 18229 2479 1 4 . 1 1 90 90 SER CB C 90 64.961 64.961 63.801 1.160 18229 2480 1 4 . 1 1 90 90 SER H H 90 8.657 8.657 8.675 -0.018 18229 2481 1 4 . 1 1 91 91 PHE N N 91 120.710 120.710 124.977 -4.267 18229 2482 1 4 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.612 0.275 18229 2483 1 4 . 1 1 91 91 PHE C C 91 174.442 174.442 175.431 -0.989 18229 2484 1 4 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.569 -1.145 18229 2485 1 4 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.700 2.692 18229 2486 1 4 . 1 1 91 91 PHE H H 91 9.001 9.001 8.590 0.411 18229 2487 1 4 . 1 1 92 92 ASN N N 92 115.967 115.967 118.932 -2.965 18229 2488 1 4 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.786 0.321 18229 2489 1 4 . 1 1 92 92 ASN C C 92 174.835 174.835 173.937 0.898 18229 2490 1 4 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.910 -0.659 18229 2491 1 4 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.303 0.586 18229 2492 1 4 . 1 1 92 92 ASN H H 92 9.093 9.093 8.953 0.140 18229 2493 1 4 . 1 1 93 93 ASN N N 93 118.401 118.401 117.661 0.740 18229 2494 1 4 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.858 0.064 18229 2495 1 4 . 1 1 93 93 ASN C C 93 174.524 174.524 174.353 0.171 18229 2496 1 4 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.251 -0.238 18229 2497 1 4 . 1 1 93 93 ASN CB C 93 41.761 41.761 39.748 2.013 18229 2498 1 4 . 1 1 93 93 ASN H H 93 7.252 7.252 8.057 -0.805 18229 2499 1 4 . 1 1 94 94 ARG N N 94 129.175 129.175 124.820 4.355 18229 2500 1 4 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.020 -0.155 18229 2501 1 4 . 1 1 94 94 ARG C C 94 176.797 176.797 177.840 -1.043 18229 2502 1 4 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.325 0.158 18229 2503 1 4 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.404 -0.275 18229 2504 1 4 . 1 1 94 94 ARG H H 94 9.309 9.309 8.898 0.411 18229 2505 1 4 . 1 1 95 95 THR N N 95 115.594 115.594 115.339 0.255 18229 2506 1 4 . 1 1 95 95 THR HA H 95 4.021 4.021 4.156 -0.135 18229 2507 1 4 . 1 1 95 95 THR C C 95 176.735 176.735 176.393 0.342 18229 2508 1 4 . 1 1 95 95 THR CA C 95 66.430 66.430 66.021 0.409 18229 2509 1 4 . 1 1 95 95 THR CB C 95 68.357 68.357 68.363 -0.006 18229 2510 1 4 . 1 1 95 95 THR H H 95 7.973 7.973 7.774 0.199 18229 2511 1 4 . 1 1 96 96 VAL N N 96 121.833 121.833 122.589 -0.756 18229 2512 1 4 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.775 0.008 18229 2513 1 4 . 1 1 96 96 VAL C C 96 177.561 177.561 177.920 -0.359 18229 2514 1 4 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.902 -0.777 18229 2515 1 4 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.767 0.434 18229 2516 1 4 . 1 1 96 96 VAL H H 96 7.565 7.565 7.297 0.268 18229 2517 1 4 . 1 1 97 97 MET N N 97 117.429 117.429 117.748 -0.319 18229 2518 1 4 . 1 1 97 97 MET HA H 97 4.551 4.551 3.378 1.173 18229 2519 1 4 . 1 1 97 97 MET C C 97 177.257 177.257 177.666 -0.409 18229 2520 1 4 . 1 1 97 97 MET CA C 97 59.753 59.753 58.741 1.012 18229 2521 1 4 . 1 1 97 97 MET CB C 97 32.515 32.515 31.393 1.122 18229 2522 1 4 . 1 1 97 97 MET H H 97 7.336 7.336 8.662 -1.326 18229 2523 1 4 . 1 1 98 98 ASP N N 98 118.159 118.159 119.324 -1.165 18229 2524 1 4 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.268 0.047 18229 2525 1 4 . 1 1 98 98 ASP C C 98 178.771 178.771 178.371 0.400 18229 2526 1 4 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.491 0.113 18229 2527 1 4 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.446 -0.782 18229 2528 1 4 . 1 1 98 98 ASP H H 98 8.712 8.712 8.228 0.484 18229 2529 1 4 . 1 1 99 99 ASN N N 99 120.354 120.354 116.935 3.419 18229 2530 1 4 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.529 -0.049 18229 2531 1 4 . 1 1 99 99 ASN C C 99 178.232 178.232 177.291 0.941 18229 2532 1 4 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.323 0.977 18229 2533 1 4 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.331 -0.883 18229 2534 1 4 . 1 1 99 99 ASN H H 99 8.084 8.084 7.530 0.554 18229 2535 1 4 . 1 1 100 100 ILE N N 100 120.990 120.990 122.302 -1.312 18229 2536 1 4 . 1 1 100 100 ILE HA H 100 3.637 3.637 4.004 -0.367 18229 2537 1 4 . 1 1 100 100 ILE C C 100 177.463 177.463 177.666 -0.203 18229 2538 1 4 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.286 -0.513 18229 2539 1 4 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.701 -2.234 18229 2540 1 4 . 1 1 100 100 ILE H H 100 8.017 8.017 8.048 -0.031 18229 2541 1 4 . 1 1 101 101 LYS N N 101 120.814 120.814 120.162 0.652 18229 2542 1 4 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.867 -0.232 18229 2543 1 4 . 1 1 101 101 LYS C C 101 177.365 177.365 178.968 -1.603 18229 2544 1 4 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.909 0.727 18229 2545 1 4 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.264 0.727 18229 2546 1 4 . 1 1 101 101 LYS H H 101 8.944 8.944 8.442 0.502 18229 2547 1 4 . 1 1 102 102 MET N N 102 116.514 116.514 114.530 1.984 18229 2548 1 4 . 1 1 102 102 MET HA H 102 4.209 4.209 4.418 -0.209 18229 2549 1 4 . 1 1 102 102 MET C C 102 178.925 178.925 178.116 0.809 18229 2550 1 4 . 1 1 102 102 MET CA C 102 58.720 58.720 58.737 -0.017 18229 2551 1 4 . 1 1 102 102 MET CB C 102 32.299 32.299 32.325 -0.026 18229 2552 1 4 . 1 1 102 102 MET H H 102 8.123 8.123 7.524 0.599 18229 2553 1 4 . 1 1 103 103 THR N N 103 118.583 118.583 117.634 0.949 18229 2554 1 4 . 1 1 103 103 THR HA H 103 3.882 3.882 4.114 -0.232 18229 2555 1 4 . 1 1 103 103 THR C C 103 176.474 176.474 176.643 -0.169 18229 2556 1 4 . 1 1 103 103 THR CA C 103 66.489 66.489 66.772 -0.283 18229 2557 1 4 . 1 1 103 103 THR CB C 103 67.864 67.864 68.734 -0.869 18229 2558 1 4 . 1 1 103 103 THR H H 103 7.768 7.768 7.470 0.298 18229 2559 1 4 . 1 1 104 104 LEU N N 104 119.575 119.575 121.738 -2.163 18229 2560 1 4 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.911 -0.029 18229 2561 1 4 . 1 1 104 104 LEU C C 104 177.935 177.935 178.411 -0.476 18229 2562 1 4 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.862 -0.886 18229 2563 1 4 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.696 0.626 18229 2564 1 4 . 1 1 104 104 LEU H H 104 8.537 8.537 8.806 -0.269 18229 2565 1 4 . 1 1 105 105 GLN N N 105 119.463 119.463 116.493 2.970 18229 2566 1 4 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.874 -0.165 18229 2567 1 4 . 1 1 105 105 GLN C C 105 178.507 178.507 178.441 0.066 18229 2568 1 4 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.607 1.133 18229 2569 1 4 . 1 1 105 105 GLN CB C 105 28.639 28.639 27.945 0.694 18229 2570 1 4 . 1 1 105 105 GLN H H 105 8.736 8.736 7.729 1.007 18229 2571 1 4 . 1 1 106 106 GLN N N 106 118.984 118.984 119.383 -0.399 18229 2572 1 4 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.024 -0.048 18229 2573 1 4 . 1 1 106 106 GLN C C 106 178.454 178.454 178.050 0.404 18229 2574 1 4 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.681 0.337 18229 2575 1 4 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.587 -0.135 18229 2576 1 4 . 1 1 106 106 GLN H H 106 7.689 7.689 7.906 -0.217 18229 2577 1 4 . 1 1 107 107 ILE N N 107 119.928 119.928 117.236 2.692 18229 2578 1 4 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.950 -0.487 18229 2579 1 4 . 1 1 107 107 ILE C C 107 177.492 177.492 178.066 -0.574 18229 2580 1 4 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.999 1.443 18229 2581 1 4 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.659 0.836 18229 2582 1 4 . 1 1 107 107 ILE H H 107 7.910 7.910 7.280 0.630 18229 2583 1 4 . 1 1 108 108 ILE N N 108 117.958 117.958 121.347 -3.389 18229 2584 1 4 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.444 2.315 18229 2585 1 4 . 1 1 108 108 ILE C C 108 178.625 178.625 177.750 0.875 18229 2586 1 4 . 1 1 108 108 ILE CA C 108 65.579 65.579 65.083 0.496 18229 2587 1 4 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.499 1.753 18229 2588 1 4 . 1 1 108 108 ILE H H 108 8.767 8.767 8.042 0.725 18229 2589 1 4 . 1 1 109 109 SER N N 109 113.450 113.450 114.359 -0.909 18229 2590 1 4 . 1 1 109 109 SER HA H 109 4.271 4.271 3.939 0.332 18229 2591 1 4 . 1 1 109 109 SER C C 109 175.966 175.966 176.439 -0.473 18229 2592 1 4 . 1 1 109 109 SER CA C 109 62.205 62.205 61.276 0.929 18229 2593 1 4 . 1 1 109 109 SER CB C 109 63.094 63.094 62.769 0.325 18229 2594 1 4 . 1 1 109 109 SER H H 109 7.797 7.797 8.335 -0.538 18229 2595 1 4 . 1 1 110 110 ARG N N 110 120.739 120.739 120.321 0.418 18229 2596 1 4 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.129 -0.010 18229 2597 1 4 . 1 1 110 110 ARG C C 110 179.056 179.056 179.303 -0.247 18229 2598 1 4 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.963 -0.143 18229 2599 1 4 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.317 -0.518 18229 2600 1 4 . 1 1 110 110 ARG H H 110 7.450 7.450 8.157 -0.707 18229 2601 1 4 . 1 1 111 111 TYR N N 111 117.972 117.972 119.165 -1.193 18229 2602 1 4 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.326 0.380 18229 2603 1 4 . 1 1 111 111 TYR C C 111 177.853 177.853 177.859 -0.006 18229 2604 1 4 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.071 0.542 18229 2605 1 4 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.407 -0.100 18229 2606 1 4 . 1 1 111 111 TYR H H 111 7.558 7.558 8.492 -0.934 18229 2607 1 4 . 1 1 112 112 LYS N N 112 120.615 120.615 118.715 1.900 18229 2608 1 4 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.183 0.198 18229 2609 1 4 . 1 1 112 112 LYS C C 112 177.893 177.893 177.980 -0.087 18229 2610 1 4 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.751 -0.162 18229 2611 1 4 . 1 1 112 112 LYS CB C 112 32.603 32.603 31.847 0.756 18229 2612 1 4 . 1 1 112 112 LYS H H 112 8.080 8.080 7.471 0.609 18229 2613 1 4 . 1 1 113 113 ASP N N 113 120.325 120.325 120.115 0.210 18229 2614 1 4 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.526 0.118 18229 2615 1 4 . 1 1 113 113 ASP C C 113 176.950 176.950 177.386 -0.436 18229 2616 1 4 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.346 -1.083 18229 2617 1 4 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.431 0.460 18229 2618 1 4 . 1 1 113 113 ASP H H 113 8.191 8.191 8.414 -0.223 18229 2619 1 4 . 1 1 114 114 ALA N N 114 122.906 122.906 120.409 2.497 18229 2620 1 4 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.351 -0.003 18229 2621 1 4 . 1 1 114 114 ALA C C 114 178.055 178.055 177.886 0.169 18229 2622 1 4 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.114 1.060 18229 2623 1 4 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.649 -0.549 18229 2624 1 4 . 1 1 114 114 ALA H H 114 7.900 7.900 7.586 0.314 18229 2625 1 5 . 1 1 2 2 SER N N 2 113.055 113.055 113.859 -0.804 18229 2626 1 5 . 1 1 2 2 SER HA H 2 4.418 4.418 4.467 -0.049 18229 2627 1 5 . 1 1 2 2 SER C C 2 174.994 174.994 175.048 -0.054 18229 2628 1 5 . 1 1 2 2 SER CA C 2 58.540 58.540 58.725 -0.185 18229 2629 1 5 . 1 1 2 2 SER CB C 2 63.748 63.748 63.772 -0.023 18229 2630 1 5 . 1 1 2 2 SER H H 2 8.061 8.061 8.135 -0.074 18229 2631 1 5 . 1 1 3 3 HIS N N 3 119.062 119.062 118.176 0.886 18229 2632 1 5 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.507 0.228 18229 2633 1 5 . 1 1 3 3 HIS C C 3 173.417 173.417 174.003 -0.586 18229 2634 1 5 . 1 1 3 3 HIS CA C 3 55.304 55.304 56.538 -1.234 18229 2635 1 5 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.388 0.159 18229 2636 1 5 . 1 1 3 3 HIS H H 3 8.410 8.410 8.250 0.160 18229 2637 1 5 . 1 1 4 4 SER N N 4 113.520 113.520 112.190 1.330 18229 2638 1 5 . 1 1 4 4 SER HA H 4 5.516 5.516 4.997 0.519 18229 2639 1 5 . 1 1 4 4 SER C C 4 173.602 173.602 172.691 0.911 18229 2640 1 5 . 1 1 4 4 SER CA C 4 57.005 57.005 57.263 -0.258 18229 2641 1 5 . 1 1 4 4 SER CB C 4 65.989 65.989 66.693 -0.704 18229 2642 1 5 . 1 1 4 4 SER H H 4 7.817 7.817 7.596 0.221 18229 2643 1 5 . 1 1 5 5 GLY N N 5 106.959 106.959 105.837 1.122 18229 2644 1 5 . 1 1 5 5 GLY C C 5 171.058 171.058 171.880 -0.822 18229 2645 1 5 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.675 -0.204 18229 2646 1 5 . 1 1 5 5 GLY H H 5 8.356 8.356 8.786 -0.430 18229 2647 1 5 . 1 1 6 6 ALA N N 6 125.264 125.264 123.534 1.730 18229 2648 1 5 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.494 0.467 18229 2649 1 5 . 1 1 6 6 ALA C C 6 176.831 176.831 175.785 1.046 18229 2650 1 5 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.675 1.070 18229 2651 1 5 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.116 -0.736 18229 2652 1 5 . 1 1 6 6 ALA H H 6 8.641 8.641 8.360 0.281 18229 2653 1 5 . 1 1 7 7 ALA N N 7 119.937 119.937 122.842 -2.905 18229 2654 1 5 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.458 0.197 18229 2655 1 5 . 1 1 7 7 ALA C C 7 176.683 176.683 175.708 0.975 18229 2656 1 5 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.727 1.018 18229 2657 1 5 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.572 1.465 18229 2658 1 5 . 1 1 7 7 ALA H H 7 8.370 8.370 7.820 0.550 18229 2659 1 5 . 1 1 8 8 ILE N N 8 125.430 125.430 119.610 5.820 18229 2660 1 5 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.255 -0.260 18229 2661 1 5 . 1 1 8 8 ILE C C 8 175.310 175.310 175.004 0.306 18229 2662 1 5 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.391 1.562 18229 2663 1 5 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.347 1.340 18229 2664 1 5 . 1 1 8 8 ILE H H 8 9.349 9.349 8.403 0.946 18229 2665 1 5 . 1 1 9 9 PHE N N 9 128.906 128.906 127.726 1.180 18229 2666 1 5 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.410 -0.118 18229 2667 1 5 . 1 1 9 9 PHE C C 9 173.925 173.925 174.555 -0.630 18229 2668 1 5 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.436 0.835 18229 2669 1 5 . 1 1 9 9 PHE CB C 9 39.567 39.567 40.160 -0.593 18229 2670 1 5 . 1 1 9 9 PHE H H 9 8.450 8.450 8.761 -0.311 18229 2671 1 5 . 1 1 10 10 GLU N N 10 126.509 126.509 127.564 -1.055 18229 2672 1 5 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.767 -0.563 18229 2673 1 5 . 1 1 10 10 GLU C C 10 175.157 175.157 175.871 -0.714 18229 2674 1 5 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.086 -0.307 18229 2675 1 5 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.908 -1.459 18229 2676 1 5 . 1 1 10 10 GLU H H 10 8.749 8.749 8.759 -0.010 18229 2677 1 5 . 1 1 11 11 LYS N N 11 105.729 105.729 114.074 -8.345 18229 2678 1 5 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.987 -0.584 18229 2679 1 5 . 1 1 11 11 LYS C C 11 175.543 175.543 175.409 0.134 18229 2680 1 5 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.623 0.931 18229 2681 1 5 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.970 -1.793 18229 2682 1 5 . 1 1 11 11 LYS H H 11 7.931 7.931 8.516 -0.585 18229 2683 1 5 . 1 1 12 12 VAL N N 12 123.753 123.753 120.338 3.415 18229 2684 1 5 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.332 0.085 18229 2685 1 5 . 1 1 12 12 VAL C C 12 175.120 175.120 175.020 0.100 18229 2686 1 5 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.210 0.562 18229 2687 1 5 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.476 -0.195 18229 2688 1 5 . 1 1 12 12 VAL H H 12 7.901 7.901 7.242 0.659 18229 2689 1 5 . 1 1 13 13 SER N N 13 121.941 121.941 120.126 1.815 18229 2690 1 5 . 1 1 13 13 SER HA H 13 4.627 4.627 5.123 -0.496 18229 2691 1 5 . 1 1 13 13 SER C C 13 175.339 175.339 174.031 1.308 18229 2692 1 5 . 1 1 13 13 SER CA C 13 59.813 59.813 58.041 1.772 18229 2693 1 5 . 1 1 13 13 SER CB C 13 63.763 63.763 64.140 -0.377 18229 2694 1 5 . 1 1 13 13 SER H H 13 8.876 8.876 8.656 0.220 18229 2695 1 5 . 1 1 14 14 GLY N N 14 113.199 113.199 113.647 -0.448 18229 2696 1 5 . 1 1 14 14 GLY C C 14 172.742 172.742 172.730 0.012 18229 2697 1 5 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.431 2.089 18229 2698 1 5 . 1 1 14 14 GLY H H 14 8.277 8.277 8.601 -0.324 18229 2699 1 5 . 1 1 15 15 ILE N N 15 123.240 123.240 120.223 3.017 18229 2700 1 5 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.438 0.372 18229 2701 1 5 . 1 1 15 15 ILE C C 15 175.370 175.370 173.675 1.695 18229 2702 1 5 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.798 0.522 18229 2703 1 5 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.045 0.561 18229 2704 1 5 . 1 1 15 15 ILE H H 15 8.298 8.298 8.296 0.002 18229 2705 1 5 . 1 1 16 16 ILE N N 16 127.865 127.865 126.337 1.528 18229 2706 1 5 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.519 0.481 18229 2707 1 5 . 1 1 16 16 ILE C C 16 173.119 173.119 174.017 -0.898 18229 2708 1 5 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.631 0.124 18229 2709 1 5 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.701 1.167 18229 2710 1 5 . 1 1 16 16 ILE H H 16 9.428 9.428 8.976 0.452 18229 2711 1 5 . 1 1 17 17 ALA N N 17 127.742 127.742 130.047 -2.305 18229 2712 1 5 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.903 0.171 18229 2713 1 5 . 1 1 17 17 ALA C C 17 176.203 176.203 176.086 0.117 18229 2714 1 5 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.047 0.344 18229 2715 1 5 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.609 0.581 18229 2716 1 5 . 1 1 17 17 ALA H H 17 8.966 8.966 8.004 0.962 18229 2717 1 5 . 1 1 18 18 ILE N N 18 122.269 122.269 124.207 -1.938 18229 2718 1 5 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.193 0.428 18229 2719 1 5 . 1 1 18 18 ILE C C 18 174.306 174.306 175.692 -1.386 18229 2720 1 5 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.271 -0.771 18229 2721 1 5 . 1 1 18 18 ILE CB C 18 39.147 39.147 38.941 0.206 18229 2722 1 5 . 1 1 18 18 ILE H H 18 8.672 8.672 8.548 0.124 18229 2723 1 5 . 1 1 19 19 ASN N N 19 127.575 127.575 125.110 2.465 18229 2724 1 5 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.821 0.241 18229 2725 1 5 . 1 1 19 19 ASN C C 19 174.730 174.730 174.844 -0.114 18229 2726 1 5 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.354 -0.625 18229 2727 1 5 . 1 1 19 19 ASN CB C 19 39.496 39.496 40.008 -0.512 18229 2728 1 5 . 1 1 19 19 ASN H H 19 9.350 9.350 8.877 0.473 18229 2729 1 5 . 1 1 20 20 GLU N N 20 121.547 121.547 123.862 -2.315 18229 2730 1 5 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.205 0.472 18229 2731 1 5 . 1 1 20 20 GLU C C 20 176.091 176.091 176.163 -0.072 18229 2732 1 5 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.594 -1.792 18229 2733 1 5 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.691 0.981 18229 2734 1 5 . 1 1 20 20 GLU H H 20 9.037 9.037 8.404 0.633 18229 2735 1 5 . 1 1 21 21 ASP N N 21 121.086 121.086 117.192 3.894 18229 2736 1 5 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.571 0.058 18229 2737 1 5 . 1 1 21 21 ASP C C 21 175.651 175.651 176.040 -0.389 18229 2738 1 5 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.379 1.121 18229 2739 1 5 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.779 -0.230 18229 2740 1 5 . 1 1 21 21 ASP H H 21 8.706 8.706 8.181 0.525 18229 2741 1 5 . 1 1 22 22 VAL N N 22 113.108 113.108 117.377 -4.269 18229 2742 1 5 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.353 -0.037 18229 2743 1 5 . 1 1 22 22 VAL C C 22 173.407 173.407 174.636 -1.229 18229 2744 1 5 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.346 -1.192 18229 2745 1 5 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.311 0.718 18229 2746 1 5 . 1 1 22 22 VAL H H 22 6.819 6.819 7.280 -0.461 18229 2747 1 5 . 1 1 23 23 SER N N 23 115.009 115.009 113.159 1.850 18229 2748 1 5 . 1 1 23 23 SER HA H 23 4.735 4.735 4.661 0.074 18229 2749 1 5 . 1 1 23 23 SER CA C 23 53.848 53.848 57.126 -3.278 18229 2750 1 5 . 1 1 23 23 SER CB C 23 64.810 64.810 63.033 1.776 18229 2751 1 5 . 1 1 23 23 SER H H 23 8.032 8.032 8.034 -0.002 18229 2752 1 5 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.347 0.437 18229 2753 1 5 . 1 1 24 24 PRO C C 24 174.825 174.825 175.972 -1.147 18229 2754 1 5 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.031 0.818 18229 2755 1 5 . 1 1 24 24 PRO CB C 24 34.801 34.801 31.917 2.884 18229 2756 1 5 . 1 1 25 25 ALA N N 25 120.477 120.477 121.778 -1.301 18229 2757 1 5 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.318 0.197 18229 2758 1 5 . 1 1 25 25 ALA C C 25 175.878 175.878 176.863 -0.985 18229 2759 1 5 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.322 0.286 18229 2760 1 5 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.100 0.354 18229 2761 1 5 . 1 1 25 25 ALA H H 25 8.013 8.013 8.225 -0.212 18229 2762 1 5 . 1 1 26 26 GLU N N 26 115.417 115.417 114.542 0.875 18229 2763 1 5 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.173 -0.102 18229 2764 1 5 . 1 1 26 26 GLU C C 26 174.599 174.599 174.951 -0.352 18229 2765 1 5 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.598 -1.611 18229 2766 1 5 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.597 1.668 18229 2767 1 5 . 1 1 26 26 GLU H H 26 7.821 7.821 7.977 -0.156 18229 2768 1 5 . 1 1 27 27 LEU N N 27 124.622 124.622 122.219 2.403 18229 2769 1 5 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.291 -0.253 18229 2770 1 5 . 1 1 27 27 LEU C C 27 174.704 174.704 176.001 -1.297 18229 2771 1 5 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.484 0.272 18229 2772 1 5 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.211 1.435 18229 2773 1 5 . 1 1 27 27 LEU H H 27 8.863 8.863 8.973 -0.110 18229 2774 1 5 . 1 1 28 28 THR N N 28 121.755 121.755 121.835 -0.080 18229 2775 1 5 . 1 1 28 28 THR HA H 28 5.152 5.152 4.969 0.183 18229 2776 1 5 . 1 1 28 28 THR C C 28 172.573 172.573 173.439 -0.866 18229 2777 1 5 . 1 1 28 28 THR CA C 28 61.452 61.452 62.847 -1.395 18229 2778 1 5 . 1 1 28 28 THR CB C 28 71.480 71.480 69.514 1.966 18229 2779 1 5 . 1 1 28 28 THR H H 28 9.276 9.276 9.113 0.163 18229 2780 1 5 . 1 1 29 29 TRP N N 29 128.764 128.764 131.278 -2.514 18229 2781 1 5 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.923 0.525 18229 2782 1 5 . 1 1 29 29 TRP C C 29 173.881 173.881 174.338 -0.457 18229 2783 1 5 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.253 -0.463 18229 2784 1 5 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.939 1.391 18229 2785 1 5 . 1 1 29 29 TRP H H 29 9.383 9.383 9.560 -0.177 18229 2786 1 5 . 1 1 30 30 ARG N N 30 126.417 126.417 129.886 -3.469 18229 2787 1 5 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.594 0.213 18229 2788 1 5 . 1 1 30 30 ARG C C 30 174.712 174.712 175.497 -0.785 18229 2789 1 5 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.688 -0.220 18229 2790 1 5 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.684 0.134 18229 2791 1 5 . 1 1 30 30 ARG H H 30 7.579 7.579 9.145 -1.566 18229 2792 1 5 . 1 1 31 31 SER N N 31 118.415 118.415 121.975 -3.560 18229 2793 1 5 . 1 1 31 31 SER HA H 31 4.480 4.480 3.688 0.792 18229 2794 1 5 . 1 1 31 31 SER C C 31 176.360 176.360 174.998 1.362 18229 2795 1 5 . 1 1 31 31 SER CA C 31 58.070 58.070 60.378 -2.308 18229 2796 1 5 . 1 1 31 31 SER CB C 31 64.272 64.272 63.543 0.729 18229 2797 1 5 . 1 1 31 31 SER H H 31 8.078 8.078 8.740 -0.662 18229 2798 1 5 . 1 1 32 32 THR N N 32 119.175 119.175 117.171 2.004 18229 2799 1 5 . 1 1 32 32 THR HA H 32 3.847 3.847 4.159 -0.312 18229 2800 1 5 . 1 1 32 32 THR C C 32 175.602 175.602 175.601 0.001 18229 2801 1 5 . 1 1 32 32 THR CA C 32 66.265 66.265 65.550 0.715 18229 2802 1 5 . 1 1 32 32 THR CB C 32 68.557 68.557 68.967 -0.410 18229 2803 1 5 . 1 1 32 32 THR H H 32 8.520 8.520 8.331 0.189 18229 2804 1 5 . 1 1 33 33 ASP N N 33 117.286 117.286 119.601 -2.315 18229 2805 1 5 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.643 -0.026 18229 2806 1 5 . 1 1 33 33 ASP C C 33 177.056 177.056 176.268 0.788 18229 2807 1 5 . 1 1 33 33 ASP CA C 33 54.225 54.225 53.780 0.445 18229 2808 1 5 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.006 -0.128 18229 2809 1 5 . 1 1 33 33 ASP H H 33 8.223 8.223 8.252 -0.029 18229 2810 1 5 . 1 1 34 34 GLY N N 34 109.197 109.197 107.218 1.979 18229 2811 1 5 . 1 1 34 34 GLY C C 34 173.762 173.762 174.720 -0.958 18229 2812 1 5 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.216 0.183 18229 2813 1 5 . 1 1 34 34 GLY H H 34 7.914 7.914 7.833 0.081 18229 2814 1 5 . 1 1 35 35 ASP N N 35 118.081 118.081 118.493 -0.412 18229 2815 1 5 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.570 -0.051 18229 2816 1 5 . 1 1 35 35 ASP C C 35 175.366 175.366 176.334 -0.968 18229 2817 1 5 . 1 1 35 35 ASP CA C 35 54.860 54.860 54.966 -0.106 18229 2818 1 5 . 1 1 35 35 ASP CB C 35 40.973 40.973 40.986 -0.013 18229 2819 1 5 . 1 1 35 35 ASP H H 35 8.238 8.238 8.514 -0.276 18229 2820 1 5 . 1 1 36 36 LYS N N 36 120.362 120.362 116.225 4.137 18229 2821 1 5 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.371 0.463 18229 2822 1 5 . 1 1 36 36 LYS C C 36 174.568 174.568 173.544 1.024 18229 2823 1 5 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.609 -0.073 18229 2824 1 5 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.917 0.862 18229 2825 1 5 . 1 1 36 36 LYS H H 36 7.749 7.749 7.758 -0.009 18229 2826 1 5 . 1 1 37 37 VAL N N 37 121.758 121.758 119.685 2.073 18229 2827 1 5 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.375 -0.104 18229 2828 1 5 . 1 1 37 37 VAL C C 37 175.209 175.209 174.167 1.042 18229 2829 1 5 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.186 0.077 18229 2830 1 5 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.307 0.676 18229 2831 1 5 . 1 1 37 37 VAL H H 37 8.526 8.526 8.365 0.161 18229 2832 1 5 . 1 1 38 38 HIS N N 38 126.087 126.087 124.877 1.210 18229 2833 1 5 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.887 0.134 18229 2834 1 5 . 1 1 38 38 HIS C C 38 173.116 173.116 174.313 -1.197 18229 2835 1 5 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.970 0.838 18229 2836 1 5 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.705 0.278 18229 2837 1 5 . 1 1 38 38 HIS H H 38 9.633 9.633 9.515 0.117 18229 2838 1 5 . 1 1 39 39 THR N N 39 124.455 124.455 121.239 3.216 18229 2839 1 5 . 1 1 39 39 THR HA H 39 5.155 5.155 4.940 0.215 18229 2840 1 5 . 1 1 39 39 THR C C 39 173.102 173.102 173.482 -0.380 18229 2841 1 5 . 1 1 39 39 THR CA C 39 61.637 61.637 61.631 0.006 18229 2842 1 5 . 1 1 39 39 THR CB C 39 70.716 70.716 69.316 1.400 18229 2843 1 5 . 1 1 39 39 THR H H 39 8.415 8.415 8.583 -0.168 18229 2844 1 5 . 1 1 40 40 VAL N N 40 126.066 126.066 125.908 0.158 18229 2845 1 5 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.193 -0.240 18229 2846 1 5 . 1 1 40 40 VAL C C 40 174.693 174.693 174.063 0.630 18229 2847 1 5 . 1 1 40 40 VAL CA C 40 60.348 60.348 59.743 0.605 18229 2848 1 5 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.573 -1.299 18229 2849 1 5 . 1 1 40 40 VAL H H 40 9.387 9.387 9.238 0.149 18229 2850 1 5 . 1 1 41 41 VAL N N 41 129.775 129.775 128.611 1.164 18229 2851 1 5 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.496 -0.508 18229 2852 1 5 . 1 1 41 41 VAL C C 41 179.424 179.424 176.718 2.706 18229 2853 1 5 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.017 3.727 18229 2854 1 5 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.608 0.343 18229 2855 1 5 . 1 1 41 41 VAL H H 41 9.021 9.021 8.700 0.321 18229 2856 1 5 . 1 1 42 42 LEU N N 42 129.645 129.645 127.999 1.646 18229 2857 1 5 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.102 -0.129 18229 2858 1 5 . 1 1 42 42 LEU C C 42 176.259 176.259 178.004 -1.745 18229 2859 1 5 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.475 1.168 18229 2860 1 5 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.339 -0.511 18229 2861 1 5 . 1 1 42 42 LEU H H 42 9.147 9.147 8.574 0.573 18229 2862 1 5 . 1 1 43 43 SER N N 43 110.158 110.158 111.860 -1.702 18229 2863 1 5 . 1 1 43 43 SER HA H 43 4.310 4.310 4.165 0.145 18229 2864 1 5 . 1 1 43 43 SER C C 43 175.263 175.263 175.816 -0.553 18229 2865 1 5 . 1 1 43 43 SER CA C 43 59.620 59.620 60.736 -1.116 18229 2866 1 5 . 1 1 43 43 SER CB C 43 61.543 61.543 63.920 -2.377 18229 2867 1 5 . 1 1 43 43 SER H H 43 7.006 7.006 8.108 -1.102 18229 2868 1 5 . 1 1 44 44 THR N N 44 110.206 110.206 114.758 -4.552 18229 2869 1 5 . 1 1 44 44 THR HA H 44 4.504 4.504 4.179 0.325 18229 2870 1 5 . 1 1 44 44 THR C C 44 173.489 173.489 176.121 -2.632 18229 2871 1 5 . 1 1 44 44 THR CA C 44 62.024 62.024 64.189 -2.165 18229 2872 1 5 . 1 1 44 44 THR CB C 44 69.805 69.805 68.860 0.945 18229 2873 1 5 . 1 1 44 44 THR H H 44 7.571 7.571 7.649 -0.077 18229 2874 1 5 . 1 1 45 45 ILE N N 45 120.322 120.322 123.774 -3.452 18229 2875 1 5 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.170 0.097 18229 2876 1 5 . 1 1 45 45 ILE C C 45 174.103 174.103 175.836 -1.733 18229 2877 1 5 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.103 -3.133 18229 2878 1 5 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.816 0.744 18229 2879 1 5 . 1 1 45 45 ILE H H 45 6.975 6.975 7.953 -0.978 18229 2880 1 5 . 1 1 46 46 ASP N N 46 126.492 126.492 127.400 -0.908 18229 2881 1 5 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.392 0.319 18229 2882 1 5 . 1 1 46 46 ASP C C 46 175.431 175.431 175.756 -0.325 18229 2883 1 5 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.347 -1.514 18229 2884 1 5 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.828 2.707 18229 2885 1 5 . 1 1 46 46 ASP H H 46 9.262 9.262 8.595 0.667 18229 2886 1 5 . 1 1 47 47 LYS N N 47 112.726 112.726 113.528 -0.802 18229 2887 1 5 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.407 0.300 18229 2888 1 5 . 1 1 47 47 LYS C C 47 172.673 172.673 173.563 -0.890 18229 2889 1 5 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.301 -0.480 18229 2890 1 5 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.062 2.547 18229 2891 1 5 . 1 1 47 47 LYS H H 47 7.572 7.572 7.459 0.113 18229 2892 1 5 . 1 1 48 48 LEU N N 48 124.840 124.840 122.846 1.994 18229 2893 1 5 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.776 0.275 18229 2894 1 5 . 1 1 48 48 LEU C C 48 173.965 173.965 175.812 -1.847 18229 2895 1 5 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.167 -1.147 18229 2896 1 5 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.258 2.306 18229 2897 1 5 . 1 1 48 48 LEU H H 48 9.013 9.013 8.573 0.440 18229 2898 1 5 . 1 1 49 49 GLN N N 49 121.648 121.648 125.844 -4.196 18229 2899 1 5 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.746 0.772 18229 2900 1 5 . 1 1 49 49 GLN C C 49 174.700 174.700 173.779 0.921 18229 2901 1 5 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.284 -0.685 18229 2902 1 5 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.440 0.586 18229 2903 1 5 . 1 1 49 49 GLN H H 49 9.260 9.260 9.425 -0.165 18229 2904 1 5 . 1 1 50 50 ALA N N 50 122.020 122.020 124.522 -2.502 18229 2905 1 5 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.088 0.659 18229 2906 1 5 . 1 1 50 50 ALA C C 50 177.167 177.167 176.055 1.112 18229 2907 1 5 . 1 1 50 50 ALA CA C 50 50.592 50.592 50.957 -0.365 18229 2908 1 5 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.314 2.049 18229 2909 1 5 . 1 1 50 50 ALA H H 50 9.286 9.286 8.330 0.956 18229 2910 1 5 . 1 1 51 51 THR N N 51 114.222 114.222 115.699 -1.477 18229 2911 1 5 . 1 1 51 51 THR HA H 51 4.735 4.735 4.364 0.371 18229 2912 1 5 . 1 1 51 51 THR CA C 51 59.228 59.228 61.002 -1.774 18229 2913 1 5 . 1 1 51 51 THR CB C 51 67.954 67.954 68.597 -0.643 18229 2914 1 5 . 1 1 51 51 THR H H 51 8.340 8.340 8.555 -0.215 18229 2915 1 5 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.398 0.172 18229 2916 1 5 . 1 1 52 52 PRO C C 52 178.621 178.621 177.191 1.430 18229 2917 1 5 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.360 0.068 18229 2918 1 5 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.216 0.503 18229 2919 1 5 . 1 1 53 53 ALA N N 53 126.566 126.566 123.481 3.085 18229 2920 1 5 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.088 -0.033 18229 2921 1 5 . 1 1 53 53 ALA C C 53 177.578 177.578 178.605 -1.027 18229 2922 1 5 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.590 0.230 18229 2923 1 5 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.563 -0.706 18229 2924 1 5 . 1 1 53 53 ALA H H 53 9.109 9.109 8.487 0.622 18229 2925 1 5 . 1 1 54 54 SER N N 54 107.184 107.184 111.810 -4.626 18229 2926 1 5 . 1 1 54 54 SER HA H 54 4.235 4.235 4.323 -0.088 18229 2927 1 5 . 1 1 54 54 SER C C 54 174.838 174.838 174.518 0.320 18229 2928 1 5 . 1 1 54 54 SER CA C 54 58.116 58.116 59.506 -1.390 18229 2929 1 5 . 1 1 54 54 SER CB C 54 63.021 63.021 62.979 0.042 18229 2930 1 5 . 1 1 54 54 SER H H 54 7.595 7.595 8.338 -0.743 18229 2931 1 5 . 1 1 55 55 SER N N 55 117.098 117.098 116.775 0.323 18229 2932 1 5 . 1 1 55 55 SER HA H 55 4.484 4.484 4.523 -0.039 18229 2933 1 5 . 1 1 55 55 SER C C 55 174.833 174.833 174.940 -0.107 18229 2934 1 5 . 1 1 55 55 SER CA C 55 57.510 57.510 57.768 -0.258 18229 2935 1 5 . 1 1 55 55 SER CB C 55 64.121 64.121 64.285 -0.164 18229 2936 1 5 . 1 1 55 55 SER H H 55 7.613 7.613 7.433 0.180 18229 2937 1 5 . 1 1 56 56 GLU N N 56 125.258 125.258 122.172 3.086 18229 2938 1 5 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.046 0.083 18229 2939 1 5 . 1 1 56 56 GLU C C 56 177.852 177.852 176.225 1.627 18229 2940 1 5 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.345 -0.733 18229 2941 1 5 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.877 -0.453 18229 2942 1 5 . 1 1 56 56 GLU H H 56 8.849 8.849 8.800 0.049 18229 2943 1 5 . 1 1 57 57 LYS N N 57 119.058 119.058 118.799 0.259 18229 2944 1 5 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.300 -0.001 18229 2945 1 5 . 1 1 57 57 LYS C C 57 175.699 175.699 176.231 -0.532 18229 2946 1 5 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.544 0.101 18229 2947 1 5 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.181 1.089 18229 2948 1 5 . 1 1 57 57 LYS H H 57 8.060 8.060 7.745 0.315 18229 2949 1 5 . 1 1 58 58 MET N N 58 123.967 123.967 123.218 0.749 18229 2950 1 5 . 1 1 58 58 MET HA H 58 4.345 4.345 5.044 -0.699 18229 2951 1 5 . 1 1 58 58 MET C C 58 174.213 174.213 174.632 -0.419 18229 2952 1 5 . 1 1 58 58 MET CA C 58 55.170 55.170 53.669 1.501 18229 2953 1 5 . 1 1 58 58 MET CB C 58 35.330 35.330 31.733 3.598 18229 2954 1 5 . 1 1 58 58 MET H H 58 8.828 8.828 8.791 0.037 18229 2955 1 5 . 1 1 59 59 MET N N 59 120.929 120.929 122.123 -1.194 18229 2956 1 5 . 1 1 59 59 MET HA H 59 5.905 5.905 5.319 0.586 18229 2957 1 5 . 1 1 59 59 MET C C 59 174.521 174.521 173.942 0.579 18229 2958 1 5 . 1 1 59 59 MET CA C 59 55.038 55.038 55.328 -0.290 18229 2959 1 5 . 1 1 59 59 MET CB C 59 39.549 39.549 37.906 1.643 18229 2960 1 5 . 1 1 59 59 MET H H 59 8.528 8.528 9.183 -0.655 18229 2961 1 5 . 1 1 60 60 LEU N N 60 117.623 117.623 121.326 -3.703 18229 2962 1 5 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.049 0.616 18229 2963 1 5 . 1 1 60 60 LEU C C 60 175.763 175.763 175.143 0.620 18229 2964 1 5 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.728 -0.543 18229 2965 1 5 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.022 2.539 18229 2966 1 5 . 1 1 60 60 LEU H H 60 9.052 9.052 9.518 -0.466 18229 2967 1 5 . 1 1 61 61 ARG N N 61 120.407 120.407 121.527 -1.120 18229 2968 1 5 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.677 -0.206 18229 2969 1 5 . 1 1 61 61 ARG C C 61 173.286 173.286 174.100 -0.814 18229 2970 1 5 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.876 0.055 18229 2971 1 5 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.228 0.107 18229 2972 1 5 . 1 1 61 61 ARG H H 61 9.180 9.180 9.556 -0.376 18229 2973 1 5 . 1 1 62 62 LEU N N 62 126.471 126.471 126.042 0.429 18229 2974 1 5 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.234 -0.036 18229 2975 1 5 . 1 1 62 62 LEU C C 62 175.447 175.447 175.974 -0.527 18229 2976 1 5 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.290 0.118 18229 2977 1 5 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.338 -0.905 18229 2978 1 5 . 1 1 62 62 LEU H H 62 9.203 9.203 8.916 0.287 18229 2979 1 5 . 1 1 63 63 ILE N N 63 123.282 123.282 123.003 0.279 18229 2980 1 5 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.413 0.284 18229 2981 1 5 . 1 1 63 63 ILE C C 63 176.525 176.525 176.827 -0.302 18229 2982 1 5 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.394 0.282 18229 2983 1 5 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.848 0.857 18229 2984 1 5 . 1 1 63 63 ILE H H 63 8.983 8.983 8.317 0.666 18229 2985 1 5 . 1 1 64 64 GLY N N 64 115.647 115.647 111.305 4.342 18229 2986 1 5 . 1 1 64 64 GLY C C 64 172.300 172.300 172.675 -0.375 18229 2987 1 5 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.338 2.324 18229 2988 1 5 . 1 1 64 64 GLY H H 64 9.372 9.372 8.885 0.487 18229 2989 1 5 . 1 1 65 65 LYS N N 65 119.107 119.107 119.671 -0.564 18229 2990 1 5 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.582 -0.276 18229 2991 1 5 . 1 1 65 65 LYS C C 65 177.404 177.404 175.435 1.969 18229 2992 1 5 . 1 1 65 65 LYS CA C 65 56.501 56.501 55.291 1.210 18229 2993 1 5 . 1 1 65 65 LYS CB C 65 34.418 34.418 34.183 0.235 18229 2994 1 5 . 1 1 65 65 LYS H H 65 8.289 8.289 8.309 -0.020 18229 2995 1 5 . 1 1 66 66 VAL N N 66 122.231 122.231 122.773 -0.542 18229 2996 1 5 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.220 -0.141 18229 2997 1 5 . 1 1 66 66 VAL C C 66 175.253 175.253 175.211 0.042 18229 2998 1 5 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.727 0.409 18229 2999 1 5 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.693 -0.409 18229 3000 1 5 . 1 1 66 66 VAL H H 66 8.607 8.607 8.156 0.451 18229 3001 1 5 . 1 1 67 67 ASP N N 67 125.538 125.538 124.115 1.423 18229 3002 1 5 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.773 -0.074 18229 3003 1 5 . 1 1 67 67 ASP C C 67 176.601 176.601 174.900 1.701 18229 3004 1 5 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.948 -0.890 18229 3005 1 5 . 1 1 67 67 ASP CB C 67 40.872 40.872 41.314 -0.442 18229 3006 1 5 . 1 1 67 67 ASP H H 67 8.457 8.457 8.346 0.111 18229 3007 1 5 . 1 1 68 68 GLU N N 68 124.433 124.433 118.432 6.001 18229 3008 1 5 . 1 1 68 68 GLU HA H 68 4.124 4.124 3.969 0.155 18229 3009 1 5 . 1 1 68 68 GLU C C 68 177.344 177.344 175.803 1.541 18229 3010 1 5 . 1 1 68 68 GLU CA C 68 57.635 57.635 57.718 -0.083 18229 3011 1 5 . 1 1 68 68 GLU CB C 68 29.680 29.680 28.981 0.699 18229 3012 1 5 . 1 1 68 68 GLU H H 68 8.712 8.712 8.448 0.264 18229 3013 1 5 . 1 1 69 69 SER N N 69 115.596 115.596 112.544 3.052 18229 3014 1 5 . 1 1 69 69 SER HA H 69 4.328 4.328 4.328 0.000 18229 3015 1 5 . 1 1 69 69 SER C C 69 175.180 175.180 175.623 -0.443 18229 3016 1 5 . 1 1 69 69 SER CA C 69 60.146 60.146 59.292 0.854 18229 3017 1 5 . 1 1 69 69 SER CB C 69 63.383 63.383 63.489 -0.106 18229 3018 1 5 . 1 1 69 69 SER H H 69 8.467 8.467 8.224 0.243 18229 3019 1 5 . 1 1 70 70 LYS N N 70 121.738 121.738 122.197 -0.459 18229 3020 1 5 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.092 0.314 18229 3021 1 5 . 1 1 70 70 LYS C C 70 176.165 176.165 175.853 0.312 18229 3022 1 5 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.415 -1.005 18229 3023 1 5 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.569 -0.069 18229 3024 1 5 . 1 1 70 70 LYS H H 70 7.675 7.675 8.070 -0.395 18229 3025 1 5 . 1 1 71 71 LYS N N 71 121.087 121.087 115.762 5.325 18229 3026 1 5 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.150 0.258 18229 3027 1 5 . 1 1 71 71 LYS C C 71 176.134 176.134 175.557 0.577 18229 3028 1 5 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.812 -0.207 18229 3029 1 5 . 1 1 71 71 LYS CB C 71 33.283 33.283 30.635 2.648 18229 3030 1 5 . 1 1 71 71 LYS H H 71 7.739 7.739 8.307 -0.568 18229 3031 1 5 . 1 1 72 72 ARG N N 72 122.147 122.147 121.849 0.298 18229 3032 1 5 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.638 -0.054 18229 3033 1 5 . 1 1 72 72 ARG C C 72 175.217 175.217 175.503 -0.286 18229 3034 1 5 . 1 1 72 72 ARG CA C 72 55.041 55.041 53.853 1.188 18229 3035 1 5 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.448 -0.094 18229 3036 1 5 . 1 1 72 72 ARG H H 72 8.402 8.402 8.901 -0.499 18229 3037 1 5 . 1 1 73 73 LYS N N 73 121.242 121.242 124.764 -3.522 18229 3038 1 5 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.187 0.712 18229 3039 1 5 . 1 1 73 73 LYS C C 73 176.966 176.966 175.827 1.139 18229 3040 1 5 . 1 1 73 73 LYS CA C 73 55.365 55.365 56.391 -1.026 18229 3041 1 5 . 1 1 73 73 LYS CB C 73 34.631 34.631 32.487 2.144 18229 3042 1 5 . 1 1 73 73 LYS H H 73 8.386 8.386 8.619 -0.233 18229 3043 1 5 . 1 1 74 74 ASP N N 74 122.007 122.007 120.852 1.155 18229 3044 1 5 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.626 0.025 18229 3045 1 5 . 1 1 74 74 ASP C C 74 177.401 177.401 176.800 0.601 18229 3046 1 5 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.354 -2.514 18229 3047 1 5 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.543 -0.535 18229 3048 1 5 . 1 1 74 74 ASP H H 74 8.559 8.559 8.646 -0.087 18229 3049 1 5 . 1 1 75 75 ASN N N 75 116.263 116.263 115.656 0.607 18229 3050 1 5 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.684 -0.149 18229 3051 1 5 . 1 1 75 75 ASN C C 75 175.944 175.944 174.953 0.991 18229 3052 1 5 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.195 1.682 18229 3053 1 5 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.843 -0.733 18229 3054 1 5 . 1 1 75 75 ASN H H 75 8.414 8.414 8.002 0.412 18229 3055 1 5 . 1 1 76 76 GLU N N 76 118.940 118.940 120.607 -1.667 18229 3056 1 5 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.583 -0.190 18229 3057 1 5 . 1 1 76 76 GLU C C 76 176.512 176.512 176.068 0.444 18229 3058 1 5 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.402 0.764 18229 3059 1 5 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.944 0.066 18229 3060 1 5 . 1 1 76 76 GLU H H 76 8.133 8.133 8.275 -0.142 18229 3061 1 5 . 1 1 77 77 GLY N N 77 108.056 108.056 108.702 -0.646 18229 3062 1 5 . 1 1 77 77 GLY C C 77 174.193 174.193 174.858 -0.665 18229 3063 1 5 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.499 -0.212 18229 3064 1 5 . 1 1 77 77 GLY H H 77 8.083 8.083 8.112 -0.029 18229 3065 1 5 . 1 1 78 78 ASN N N 78 119.896 119.896 117.508 2.388 18229 3066 1 5 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.634 0.108 18229 3067 1 5 . 1 1 78 78 ASN C C 78 175.006 175.006 175.436 -0.430 18229 3068 1 5 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.144 -0.317 18229 3069 1 5 . 1 1 78 78 ASN CB C 78 38.996 38.996 38.728 0.268 18229 3070 1 5 . 1 1 78 78 ASN H H 78 8.537 8.537 8.441 0.096 18229 3071 1 5 . 1 1 79 79 GLU N N 79 121.648 121.648 115.299 6.349 18229 3072 1 5 . 1 1 79 79 GLU HA H 79 4.471 4.471 3.905 0.566 18229 3073 1 5 . 1 1 79 79 GLU C C 79 176.268 176.268 175.395 0.873 18229 3074 1 5 . 1 1 79 79 GLU CA C 79 56.610 56.610 56.828 -0.218 18229 3075 1 5 . 1 1 79 79 GLU CB C 79 30.307 30.307 26.995 3.312 18229 3076 1 5 . 1 1 79 79 GLU H H 79 8.674 8.674 8.126 0.548 18229 3077 1 5 . 1 1 80 80 VAL N N 80 124.083 124.083 120.285 3.798 18229 3078 1 5 . 1 1 80 80 VAL HA H 80 4.248 4.248 3.955 0.293 18229 3079 1 5 . 1 1 80 80 VAL C C 80 175.537 175.537 175.917 -0.380 18229 3080 1 5 . 1 1 80 80 VAL CA C 80 61.465 61.465 62.254 -0.789 18229 3081 1 5 . 1 1 80 80 VAL CB C 80 33.553 33.553 33.450 0.103 18229 3082 1 5 . 1 1 80 80 VAL H H 80 8.554 8.554 8.193 0.361 18229 3083 1 5 . 1 1 81 81 VAL N N 81 126.640 126.640 123.895 2.745 18229 3084 1 5 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.380 0.047 18229 3085 1 5 . 1 1 81 81 VAL CA C 81 59.605 59.605 59.953 -0.348 18229 3086 1 5 . 1 1 81 81 VAL CB C 81 32.876 32.876 30.983 1.893 18229 3087 1 5 . 1 1 81 81 VAL H H 81 8.390 8.390 8.494 -0.104 18229 3088 1 5 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.278 0.149 18229 3089 1 5 . 1 1 82 82 PRO C C 82 176.034 176.034 176.280 -0.246 18229 3090 1 5 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.072 -0.362 18229 3091 1 5 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.010 0.342 18229 3092 1 5 . 1 1 83 83 LYS N N 83 121.719 121.719 119.977 1.742 18229 3093 1 5 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.142 0.406 18229 3094 1 5 . 1 1 83 83 LYS CA C 83 53.856 53.856 56.357 -2.501 18229 3095 1 5 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.392 0.938 18229 3096 1 5 . 1 1 83 83 LYS H H 83 8.308 8.308 8.196 0.112 18229 3097 1 5 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.470 -0.174 18229 3098 1 5 . 1 1 84 84 PRO C C 84 176.773 176.773 175.567 1.206 18229 3099 1 5 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.288 0.268 18229 3100 1 5 . 1 1 84 84 PRO CB C 84 32.618 32.618 29.961 2.657 18229 3101 1 5 . 1 1 85 85 GLN N N 85 121.395 121.395 115.214 6.181 18229 3102 1 5 . 1 1 85 85 GLN HA H 85 4.141 4.141 3.835 0.306 18229 3103 1 5 . 1 1 85 85 GLN C C 85 174.940 174.940 173.774 1.166 18229 3104 1 5 . 1 1 85 85 GLN CA C 85 56.062 56.062 57.341 -1.279 18229 3105 1 5 . 1 1 85 85 GLN CB C 85 29.730 29.730 28.993 0.737 18229 3106 1 5 . 1 1 85 85 GLN H H 85 8.464 8.464 7.909 0.555 18229 3107 1 5 . 1 1 86 86 ARG N N 86 121.035 121.035 117.627 3.408 18229 3108 1 5 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.825 0.302 18229 3109 1 5 . 1 1 86 86 ARG C C 86 175.052 175.052 174.545 0.507 18229 3110 1 5 . 1 1 86 86 ARG CA C 86 54.534 54.534 55.283 -0.749 18229 3111 1 5 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.819 0.514 18229 3112 1 5 . 1 1 86 86 ARG H H 86 8.248 8.248 8.347 -0.099 18229 3113 1 5 . 1 1 87 87 HIS N N 87 120.780 120.780 122.887 -2.107 18229 3114 1 5 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.509 0.173 18229 3115 1 5 . 1 1 87 87 HIS C C 87 173.558 173.558 173.697 -0.139 18229 3116 1 5 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.971 -0.779 18229 3117 1 5 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.422 2.632 18229 3118 1 5 . 1 1 87 87 HIS H H 87 8.659 8.659 8.894 -0.235 18229 3119 1 5 . 1 1 88 88 MET N N 88 126.780 126.780 124.953 1.827 18229 3120 1 5 . 1 1 88 88 MET HA H 88 5.283 5.283 4.399 0.884 18229 3121 1 5 . 1 1 88 88 MET C C 88 173.297 173.297 173.536 -0.239 18229 3122 1 5 . 1 1 88 88 MET CA C 88 54.835 54.835 54.935 -0.100 18229 3123 1 5 . 1 1 88 88 MET CB C 88 35.794 35.794 33.478 2.316 18229 3124 1 5 . 1 1 88 88 MET H H 88 8.710 8.710 8.214 0.496 18229 3125 1 5 . 1 1 89 89 PHE N N 89 122.543 122.543 126.389 -3.846 18229 3126 1 5 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.467 -0.272 18229 3127 1 5 . 1 1 89 89 PHE C C 89 174.410 174.410 175.021 -0.611 18229 3128 1 5 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.834 0.545 18229 3129 1 5 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.119 3.070 18229 3130 1 5 . 1 1 89 89 PHE H H 89 8.969 8.969 9.468 -0.499 18229 3131 1 5 . 1 1 90 90 SER N N 90 116.192 116.192 118.952 -2.760 18229 3132 1 5 . 1 1 90 90 SER HA H 90 5.696 5.696 4.839 0.857 18229 3133 1 5 . 1 1 90 90 SER C C 90 173.030 173.030 173.954 -0.924 18229 3134 1 5 . 1 1 90 90 SER CA C 90 56.771 56.771 57.583 -0.812 18229 3135 1 5 . 1 1 90 90 SER CB C 90 64.961 64.961 63.687 1.274 18229 3136 1 5 . 1 1 90 90 SER H H 90 8.657 8.657 8.373 0.284 18229 3137 1 5 . 1 1 91 91 PHE N N 91 120.710 120.710 126.338 -5.628 18229 3138 1 5 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.665 0.222 18229 3139 1 5 . 1 1 91 91 PHE C C 91 174.442 174.442 175.593 -1.151 18229 3140 1 5 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.178 -0.753 18229 3141 1 5 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.540 2.852 18229 3142 1 5 . 1 1 91 91 PHE H H 91 9.001 9.001 8.868 0.133 18229 3143 1 5 . 1 1 92 92 ASN N N 92 115.967 115.967 119.413 -3.446 18229 3144 1 5 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.876 0.231 18229 3145 1 5 . 1 1 92 92 ASN C C 92 174.835 174.835 173.718 1.117 18229 3146 1 5 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.221 -0.970 18229 3147 1 5 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.529 0.360 18229 3148 1 5 . 1 1 92 92 ASN H H 92 9.093 9.093 9.108 -0.015 18229 3149 1 5 . 1 1 93 93 ASN N N 93 118.401 118.401 117.840 0.561 18229 3150 1 5 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.886 0.036 18229 3151 1 5 . 1 1 93 93 ASN C C 93 174.524 174.524 174.109 0.415 18229 3152 1 5 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.422 -0.409 18229 3153 1 5 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.187 1.574 18229 3154 1 5 . 1 1 93 93 ASN H H 93 7.252 7.252 7.901 -0.649 18229 3155 1 5 . 1 1 94 94 ARG N N 94 129.175 129.175 125.329 3.846 18229 3156 1 5 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.059 -0.194 18229 3157 1 5 . 1 1 94 94 ARG C C 94 176.797 176.797 177.607 -0.810 18229 3158 1 5 . 1 1 94 94 ARG CA C 94 59.483 59.483 58.773 0.710 18229 3159 1 5 . 1 1 94 94 ARG CB C 94 30.129 30.129 29.951 0.178 18229 3160 1 5 . 1 1 94 94 ARG H H 94 9.309 9.309 8.965 0.344 18229 3161 1 5 . 1 1 95 95 THR N N 95 115.594 115.594 114.170 1.424 18229 3162 1 5 . 1 1 95 95 THR HA H 95 4.021 4.021 4.098 -0.077 18229 3163 1 5 . 1 1 95 95 THR C C 95 176.735 176.735 176.023 0.712 18229 3164 1 5 . 1 1 95 95 THR CA C 95 66.430 66.430 66.885 -0.455 18229 3165 1 5 . 1 1 95 95 THR CB C 95 68.357 68.357 68.528 -0.171 18229 3166 1 5 . 1 1 95 95 THR H H 95 7.973 7.973 8.032 -0.059 18229 3167 1 5 . 1 1 96 96 VAL N N 96 121.833 121.833 121.203 0.630 18229 3168 1 5 . 1 1 96 96 VAL HA H 96 3.783 3.783 4.111 -0.328 18229 3169 1 5 . 1 1 96 96 VAL C C 96 177.561 177.561 178.269 -0.708 18229 3170 1 5 . 1 1 96 96 VAL CA C 96 66.125 66.125 65.658 0.467 18229 3171 1 5 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.397 0.804 18229 3172 1 5 . 1 1 96 96 VAL H H 96 7.565 7.565 7.581 -0.016 18229 3173 1 5 . 1 1 97 97 MET N N 97 117.429 117.429 117.852 -0.423 18229 3174 1 5 . 1 1 97 97 MET HA H 97 4.551 4.551 3.409 1.142 18229 3175 1 5 . 1 1 97 97 MET C C 97 177.257 177.257 177.589 -0.332 18229 3176 1 5 . 1 1 97 97 MET CA C 97 59.753 59.753 58.605 1.148 18229 3177 1 5 . 1 1 97 97 MET CB C 97 32.515 32.515 31.467 1.048 18229 3178 1 5 . 1 1 97 97 MET H H 97 7.336 7.336 8.461 -1.125 18229 3179 1 5 . 1 1 98 98 ASP N N 98 118.159 118.159 119.161 -1.002 18229 3180 1 5 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.279 0.036 18229 3181 1 5 . 1 1 98 98 ASP C C 98 178.771 178.771 177.415 1.356 18229 3182 1 5 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.017 0.587 18229 3183 1 5 . 1 1 98 98 ASP CB C 98 39.664 39.664 41.183 -1.519 18229 3184 1 5 . 1 1 98 98 ASP H H 98 8.712 8.712 8.088 0.624 18229 3185 1 5 . 1 1 99 99 ASN N N 99 120.354 120.354 118.361 1.993 18229 3186 1 5 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.528 -0.048 18229 3187 1 5 . 1 1 99 99 ASN C C 99 178.232 178.232 177.595 0.637 18229 3188 1 5 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.650 0.650 18229 3189 1 5 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.943 -0.495 18229 3190 1 5 . 1 1 99 99 ASN H H 99 8.084 8.084 7.233 0.851 18229 3191 1 5 . 1 1 100 100 ILE N N 100 120.990 120.990 121.910 -0.920 18229 3192 1 5 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.722 -0.085 18229 3193 1 5 . 1 1 100 100 ILE C C 100 177.463 177.463 178.015 -0.552 18229 3194 1 5 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.919 -2.146 18229 3195 1 5 . 1 1 100 100 ILE CB C 100 35.467 35.467 36.627 -1.159 18229 3196 1 5 . 1 1 100 100 ILE H H 100 8.017 8.017 8.854 -0.837 18229 3197 1 5 . 1 1 101 101 LYS N N 101 120.814 120.814 119.254 1.560 18229 3198 1 5 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.894 -0.259 18229 3199 1 5 . 1 1 101 101 LYS C C 101 177.365 177.365 179.148 -1.783 18229 3200 1 5 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.539 1.097 18229 3201 1 5 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.153 0.838 18229 3202 1 5 . 1 1 101 101 LYS H H 101 8.944 8.944 8.060 0.884 18229 3203 1 5 . 1 1 102 102 MET N N 102 116.514 116.514 115.769 0.745 18229 3204 1 5 . 1 1 102 102 MET HA H 102 4.209 4.209 4.484 -0.275 18229 3205 1 5 . 1 1 102 102 MET C C 102 178.925 178.925 178.011 0.914 18229 3206 1 5 . 1 1 102 102 MET CA C 102 58.720 58.720 58.651 0.069 18229 3207 1 5 . 1 1 102 102 MET CB C 102 32.299 32.299 32.662 -0.363 18229 3208 1 5 . 1 1 102 102 MET H H 102 8.123 8.123 7.606 0.517 18229 3209 1 5 . 1 1 103 103 THR N N 103 118.583 118.583 118.875 -0.292 18229 3210 1 5 . 1 1 103 103 THR HA H 103 3.882 3.882 3.998 -0.116 18229 3211 1 5 . 1 1 103 103 THR C C 103 176.474 176.474 177.018 -0.544 18229 3212 1 5 . 1 1 103 103 THR CA C 103 66.489 66.489 66.358 0.131 18229 3213 1 5 . 1 1 103 103 THR CB C 103 67.864 67.864 68.330 -0.466 18229 3214 1 5 . 1 1 103 103 THR H H 103 7.768 7.768 8.545 -0.777 18229 3215 1 5 . 1 1 104 104 LEU N N 104 119.575 119.575 121.080 -1.505 18229 3216 1 5 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.901 -0.019 18229 3217 1 5 . 1 1 104 104 LEU C C 104 177.935 177.935 179.115 -1.180 18229 3218 1 5 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.514 -0.538 18229 3219 1 5 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.027 1.295 18229 3220 1 5 . 1 1 104 104 LEU H H 104 8.537 8.537 8.749 -0.212 18229 3221 1 5 . 1 1 105 105 GLN N N 105 119.463 119.463 117.648 1.815 18229 3222 1 5 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.829 -0.120 18229 3223 1 5 . 1 1 105 105 GLN C C 105 178.507 178.507 178.741 -0.234 18229 3224 1 5 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.965 0.775 18229 3225 1 5 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.020 0.619 18229 3226 1 5 . 1 1 105 105 GLN H H 105 8.736 8.736 7.636 1.100 18229 3227 1 5 . 1 1 106 106 GLN N N 106 118.984 118.984 117.320 1.664 18229 3228 1 5 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.011 -0.035 18229 3229 1 5 . 1 1 106 106 GLN C C 106 178.454 178.454 178.010 0.444 18229 3230 1 5 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.670 0.347 18229 3231 1 5 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.564 -0.112 18229 3232 1 5 . 1 1 106 106 GLN H H 106 7.689 7.689 8.327 -0.638 18229 3233 1 5 . 1 1 107 107 ILE N N 107 119.928 119.928 117.382 2.546 18229 3234 1 5 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.936 -0.473 18229 3235 1 5 . 1 1 107 107 ILE C C 107 177.492 177.492 177.906 -0.414 18229 3236 1 5 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.697 1.745 18229 3237 1 5 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.633 0.862 18229 3238 1 5 . 1 1 107 107 ILE H H 107 7.910 7.910 7.312 0.598 18229 3239 1 5 . 1 1 108 108 ILE N N 108 117.958 117.958 121.355 -3.397 18229 3240 1 5 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.366 2.393 18229 3241 1 5 . 1 1 108 108 ILE C C 108 178.625 178.625 177.828 0.797 18229 3242 1 5 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.853 0.726 18229 3243 1 5 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.609 1.643 18229 3244 1 5 . 1 1 108 108 ILE H H 108 8.767 8.767 8.538 0.229 18229 3245 1 5 . 1 1 109 109 SER N N 109 113.450 113.450 114.808 -1.358 18229 3246 1 5 . 1 1 109 109 SER HA H 109 4.271 4.271 3.985 0.286 18229 3247 1 5 . 1 1 109 109 SER C C 109 175.966 175.966 176.268 -0.302 18229 3248 1 5 . 1 1 109 109 SER CA C 109 62.205 62.205 61.612 0.593 18229 3249 1 5 . 1 1 109 109 SER CB C 109 63.094 63.094 62.909 0.185 18229 3250 1 5 . 1 1 109 109 SER H H 109 7.797 7.797 8.273 -0.476 18229 3251 1 5 . 1 1 110 110 ARG N N 110 120.739 120.739 119.942 0.797 18229 3252 1 5 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.140 -0.021 18229 3253 1 5 . 1 1 110 110 ARG C C 110 179.056 179.056 178.940 0.116 18229 3254 1 5 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.864 -0.044 18229 3255 1 5 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.241 -0.442 18229 3256 1 5 . 1 1 110 110 ARG H H 110 7.450 7.450 8.127 -0.677 18229 3257 1 5 . 1 1 111 111 TYR N N 111 117.972 117.972 119.188 -1.216 18229 3258 1 5 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.322 0.384 18229 3259 1 5 . 1 1 111 111 TYR C C 111 177.853 177.853 177.870 -0.017 18229 3260 1 5 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.166 0.447 18229 3261 1 5 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.416 -0.108 18229 3262 1 5 . 1 1 111 111 TYR H H 111 7.558 7.558 8.469 -0.911 18229 3263 1 5 . 1 1 112 112 LYS N N 112 120.615 120.615 118.407 2.208 18229 3264 1 5 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.186 0.195 18229 3265 1 5 . 1 1 112 112 LYS C C 112 177.893 177.893 177.919 -0.026 18229 3266 1 5 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.506 0.083 18229 3267 1 5 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.059 0.544 18229 3268 1 5 . 1 1 112 112 LYS H H 112 8.080 8.080 7.410 0.670 18229 3269 1 5 . 1 1 113 113 ASP N N 113 120.325 120.325 120.137 0.188 18229 3270 1 5 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.487 0.157 18229 3271 1 5 . 1 1 113 113 ASP C C 113 176.950 176.950 177.258 -0.308 18229 3272 1 5 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.962 -0.699 18229 3273 1 5 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.875 0.016 18229 3274 1 5 . 1 1 113 113 ASP H H 113 8.191 8.191 8.392 -0.201 18229 3275 1 5 . 1 1 114 114 ALA N N 114 122.906 122.906 120.239 2.667 18229 3276 1 5 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.344 0.004 18229 3277 1 5 . 1 1 114 114 ALA C C 114 178.055 178.055 177.904 0.151 18229 3278 1 5 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.059 1.115 18229 3279 1 5 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.576 -0.476 18229 3280 1 5 . 1 1 114 114 ALA H H 114 7.900 7.900 7.655 0.245 18229 3281 1 6 . 1 1 2 2 SER N N 2 113.055 113.055 114.050 -0.995 18229 3282 1 6 . 1 1 2 2 SER HA H 2 4.418 4.418 4.453 -0.035 18229 3283 1 6 . 1 1 2 2 SER C C 2 174.994 174.994 174.836 0.158 18229 3284 1 6 . 1 1 2 2 SER CA C 2 58.540 58.540 58.508 0.032 18229 3285 1 6 . 1 1 2 2 SER CB C 2 63.748 63.748 63.888 -0.140 18229 3286 1 6 . 1 1 2 2 SER H H 2 8.061 8.061 7.960 0.101 18229 3287 1 6 . 1 1 3 3 HIS N N 3 119.062 119.062 118.853 0.209 18229 3288 1 6 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.568 0.167 18229 3289 1 6 . 1 1 3 3 HIS C C 3 173.417 173.417 174.063 -0.646 18229 3290 1 6 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.937 -0.633 18229 3291 1 6 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.224 0.323 18229 3292 1 6 . 1 1 3 3 HIS H H 3 8.410 8.410 8.220 0.190 18229 3293 1 6 . 1 1 4 4 SER N N 4 113.520 113.520 113.131 0.389 18229 3294 1 6 . 1 1 4 4 SER HA H 4 5.516 5.516 4.968 0.548 18229 3295 1 6 . 1 1 4 4 SER C C 4 173.602 173.602 173.014 0.588 18229 3296 1 6 . 1 1 4 4 SER CA C 4 57.005 57.005 57.506 -0.501 18229 3297 1 6 . 1 1 4 4 SER CB C 4 65.989 65.989 66.560 -0.571 18229 3298 1 6 . 1 1 4 4 SER H H 4 7.817 7.817 7.555 0.262 18229 3299 1 6 . 1 1 5 5 GLY N N 5 106.959 106.959 107.839 -0.880 18229 3300 1 6 . 1 1 5 5 GLY C C 5 171.058 171.058 172.183 -1.125 18229 3301 1 6 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.721 -0.250 18229 3302 1 6 . 1 1 5 5 GLY H H 5 8.356 8.356 8.956 -0.600 18229 3303 1 6 . 1 1 6 6 ALA N N 6 125.264 125.264 124.074 1.190 18229 3304 1 6 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.500 0.461 18229 3305 1 6 . 1 1 6 6 ALA C C 6 176.831 176.831 175.772 1.059 18229 3306 1 6 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.770 0.975 18229 3307 1 6 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.108 -0.728 18229 3308 1 6 . 1 1 6 6 ALA H H 6 8.641 8.641 8.546 0.095 18229 3309 1 6 . 1 1 7 7 ALA N N 7 119.937 119.937 122.705 -2.768 18229 3310 1 6 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.475 0.180 18229 3311 1 6 . 1 1 7 7 ALA C C 7 176.683 176.683 175.385 1.298 18229 3312 1 6 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.648 1.097 18229 3313 1 6 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.757 2.280 18229 3314 1 6 . 1 1 7 7 ALA H H 7 8.370 8.370 7.659 0.711 18229 3315 1 6 . 1 1 8 8 ILE N N 8 125.430 125.430 119.375 6.055 18229 3316 1 6 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.100 -0.105 18229 3317 1 6 . 1 1 8 8 ILE C C 8 175.310 175.310 175.105 0.205 18229 3318 1 6 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.248 1.704 18229 3319 1 6 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.227 1.460 18229 3320 1 6 . 1 1 8 8 ILE H H 8 9.349 9.349 8.456 0.893 18229 3321 1 6 . 1 1 9 9 PHE N N 9 128.906 128.906 128.475 0.431 18229 3322 1 6 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.712 -0.420 18229 3323 1 6 . 1 1 9 9 PHE C C 9 173.925 173.925 174.940 -1.015 18229 3324 1 6 . 1 1 9 9 PHE CA C 9 56.271 56.271 54.625 1.646 18229 3325 1 6 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.990 -0.423 18229 3326 1 6 . 1 1 9 9 PHE H H 9 8.450 8.450 8.904 -0.454 18229 3327 1 6 . 1 1 10 10 GLU N N 10 126.509 126.509 128.335 -1.826 18229 3328 1 6 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.527 -0.323 18229 3329 1 6 . 1 1 10 10 GLU C C 10 175.157 175.157 175.354 -0.197 18229 3330 1 6 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.760 0.019 18229 3331 1 6 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.430 -0.981 18229 3332 1 6 . 1 1 10 10 GLU H H 10 8.749 8.749 8.929 -0.180 18229 3333 1 6 . 1 1 11 11 LYS N N 11 105.729 105.729 112.340 -6.611 18229 3334 1 6 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.866 -0.463 18229 3335 1 6 . 1 1 11 11 LYS C C 11 175.543 175.543 175.423 0.120 18229 3336 1 6 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.989 0.565 18229 3337 1 6 . 1 1 11 11 LYS CB C 11 30.177 30.177 32.384 -2.207 18229 3338 1 6 . 1 1 11 11 LYS H H 11 7.931 7.931 8.397 -0.466 18229 3339 1 6 . 1 1 12 12 VAL N N 12 123.753 123.753 119.729 4.024 18229 3340 1 6 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.280 0.137 18229 3341 1 6 . 1 1 12 12 VAL C C 12 175.120 175.120 175.013 0.107 18229 3342 1 6 . 1 1 12 12 VAL CA C 12 61.772 61.772 60.905 0.867 18229 3343 1 6 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.320 -0.039 18229 3344 1 6 . 1 1 12 12 VAL H H 12 7.901 7.901 7.245 0.656 18229 3345 1 6 . 1 1 13 13 SER N N 13 121.941 121.941 118.031 3.910 18229 3346 1 6 . 1 1 13 13 SER HA H 13 4.627 4.627 5.059 -0.432 18229 3347 1 6 . 1 1 13 13 SER C C 13 175.339 175.339 174.067 1.272 18229 3348 1 6 . 1 1 13 13 SER CA C 13 59.813 59.813 57.085 2.728 18229 3349 1 6 . 1 1 13 13 SER CB C 13 63.763 63.763 65.453 -1.690 18229 3350 1 6 . 1 1 13 13 SER H H 13 8.876 8.876 8.555 0.321 18229 3351 1 6 . 1 1 14 14 GLY N N 14 113.199 113.199 110.562 2.637 18229 3352 1 6 . 1 1 14 14 GLY C C 14 172.742 172.742 172.598 0.144 18229 3353 1 6 . 1 1 14 14 GLY CA C 14 46.520 46.520 45.578 0.942 18229 3354 1 6 . 1 1 14 14 GLY H H 14 8.277 8.277 8.188 0.089 18229 3355 1 6 . 1 1 15 15 ILE N N 15 123.240 123.240 120.386 2.854 18229 3356 1 6 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.532 0.278 18229 3357 1 6 . 1 1 15 15 ILE C C 15 175.370 175.370 174.379 0.991 18229 3358 1 6 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.762 0.558 18229 3359 1 6 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.438 0.168 18229 3360 1 6 . 1 1 15 15 ILE H H 15 8.298 8.298 8.425 -0.127 18229 3361 1 6 . 1 1 16 16 ILE N N 16 127.865 127.865 126.305 1.560 18229 3362 1 6 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.453 0.547 18229 3363 1 6 . 1 1 16 16 ILE C C 16 173.119 173.119 174.106 -0.987 18229 3364 1 6 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.643 0.112 18229 3365 1 6 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.623 1.244 18229 3366 1 6 . 1 1 16 16 ILE H H 16 9.428 9.428 8.955 0.473 18229 3367 1 6 . 1 1 17 17 ALA N N 17 127.742 127.742 130.288 -2.546 18229 3368 1 6 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.888 0.186 18229 3369 1 6 . 1 1 17 17 ALA C C 17 176.203 176.203 176.009 0.194 18229 3370 1 6 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.070 0.321 18229 3371 1 6 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.552 0.638 18229 3372 1 6 . 1 1 17 17 ALA H H 17 8.966 8.966 7.855 1.111 18229 3373 1 6 . 1 1 18 18 ILE N N 18 122.269 122.269 124.157 -1.888 18229 3374 1 6 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.187 0.434 18229 3375 1 6 . 1 1 18 18 ILE C C 18 174.306 174.306 175.703 -1.397 18229 3376 1 6 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.224 -0.724 18229 3377 1 6 . 1 1 18 18 ILE CB C 18 39.147 39.147 38.945 0.202 18229 3378 1 6 . 1 1 18 18 ILE H H 18 8.672 8.672 8.472 0.200 18229 3379 1 6 . 1 1 19 19 ASN N N 19 127.575 127.575 123.786 3.789 18229 3380 1 6 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.919 0.143 18229 3381 1 6 . 1 1 19 19 ASN C C 19 174.730 174.730 175.206 -0.476 18229 3382 1 6 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.254 -0.525 18229 3383 1 6 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.720 -0.224 18229 3384 1 6 . 1 1 19 19 ASN H H 19 9.350 9.350 8.835 0.515 18229 3385 1 6 . 1 1 20 20 GLU N N 20 121.547 121.547 123.467 -1.920 18229 3386 1 6 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.163 0.514 18229 3387 1 6 . 1 1 20 20 GLU C C 20 176.091 176.091 175.966 0.125 18229 3388 1 6 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.495 -1.693 18229 3389 1 6 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.269 1.403 18229 3390 1 6 . 1 1 20 20 GLU H H 20 9.037 9.037 8.327 0.710 18229 3391 1 6 . 1 1 21 21 ASP N N 21 121.086 121.086 117.444 3.642 18229 3392 1 6 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.556 0.073 18229 3393 1 6 . 1 1 21 21 ASP C C 21 175.651 175.651 176.438 -0.787 18229 3394 1 6 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.539 0.960 18229 3395 1 6 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.741 -0.191 18229 3396 1 6 . 1 1 21 21 ASP H H 21 8.706 8.706 8.151 0.555 18229 3397 1 6 . 1 1 22 22 VAL N N 22 113.108 113.108 117.159 -4.051 18229 3398 1 6 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.390 -0.074 18229 3399 1 6 . 1 1 22 22 VAL C C 22 173.407 173.407 174.840 -1.433 18229 3400 1 6 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.434 -1.281 18229 3401 1 6 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.494 0.535 18229 3402 1 6 . 1 1 22 22 VAL H H 22 6.819 6.819 7.209 -0.390 18229 3403 1 6 . 1 1 23 23 SER N N 23 115.009 115.009 113.259 1.750 18229 3404 1 6 . 1 1 23 23 SER HA H 23 4.735 4.735 4.609 0.126 18229 3405 1 6 . 1 1 23 23 SER CA C 23 53.848 53.848 57.560 -3.712 18229 3406 1 6 . 1 1 23 23 SER CB C 23 64.810 64.810 63.156 1.654 18229 3407 1 6 . 1 1 23 23 SER H H 23 8.032 8.032 8.341 -0.310 18229 3408 1 6 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.411 0.373 18229 3409 1 6 . 1 1 24 24 PRO C C 24 174.825 174.825 175.926 -1.101 18229 3410 1 6 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.171 0.677 18229 3411 1 6 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.041 2.760 18229 3412 1 6 . 1 1 25 25 ALA N N 25 120.477 120.477 121.582 -1.105 18229 3413 1 6 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.340 0.175 18229 3414 1 6 . 1 1 25 25 ALA C C 25 175.878 175.878 176.804 -0.926 18229 3415 1 6 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.159 0.449 18229 3416 1 6 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.236 0.218 18229 3417 1 6 . 1 1 25 25 ALA H H 25 8.013 8.013 8.237 -0.224 18229 3418 1 6 . 1 1 26 26 GLU N N 26 115.417 115.417 114.520 0.897 18229 3419 1 6 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.092 -0.021 18229 3420 1 6 . 1 1 26 26 GLU C C 26 174.599 174.599 174.710 -0.111 18229 3421 1 6 . 1 1 26 26 GLU CA C 26 53.987 53.987 54.934 -0.947 18229 3422 1 6 . 1 1 26 26 GLU CB C 26 34.265 34.265 33.193 1.072 18229 3423 1 6 . 1 1 26 26 GLU H H 26 7.821 7.821 8.013 -0.192 18229 3424 1 6 . 1 1 27 27 LEU N N 27 124.622 124.622 122.076 2.546 18229 3425 1 6 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.193 -0.155 18229 3426 1 6 . 1 1 27 27 LEU C C 27 174.704 174.704 175.829 -1.125 18229 3427 1 6 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.426 0.331 18229 3428 1 6 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.022 1.624 18229 3429 1 6 . 1 1 27 27 LEU H H 27 8.863 8.863 9.071 -0.208 18229 3430 1 6 . 1 1 28 28 THR N N 28 121.755 121.755 121.801 -0.046 18229 3431 1 6 . 1 1 28 28 THR HA H 28 5.152 5.152 4.868 0.284 18229 3432 1 6 . 1 1 28 28 THR C C 28 172.573 172.573 173.399 -0.826 18229 3433 1 6 . 1 1 28 28 THR CA C 28 61.452 61.452 62.809 -1.357 18229 3434 1 6 . 1 1 28 28 THR CB C 28 71.480 71.480 69.308 2.172 18229 3435 1 6 . 1 1 28 28 THR H H 28 9.276 9.276 9.071 0.205 18229 3436 1 6 . 1 1 29 29 TRP N N 29 128.764 128.764 131.107 -2.343 18229 3437 1 6 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.924 0.524 18229 3438 1 6 . 1 1 29 29 TRP C C 29 173.881 173.881 174.197 -0.316 18229 3439 1 6 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.185 -0.395 18229 3440 1 6 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.859 1.471 18229 3441 1 6 . 1 1 29 29 TRP H H 29 9.383 9.383 9.354 0.029 18229 3442 1 6 . 1 1 30 30 ARG N N 30 126.417 126.417 129.502 -3.085 18229 3443 1 6 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.554 0.253 18229 3444 1 6 . 1 1 30 30 ARG C C 30 174.712 174.712 175.466 -0.754 18229 3445 1 6 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.657 -0.189 18229 3446 1 6 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.711 0.107 18229 3447 1 6 . 1 1 30 30 ARG H H 30 7.579 7.579 9.065 -1.486 18229 3448 1 6 . 1 1 31 31 SER N N 31 118.415 118.415 122.017 -3.602 18229 3449 1 6 . 1 1 31 31 SER HA H 31 4.480 4.480 3.725 0.755 18229 3450 1 6 . 1 1 31 31 SER C C 31 176.360 176.360 175.305 1.055 18229 3451 1 6 . 1 1 31 31 SER CA C 31 58.070 58.070 60.554 -2.484 18229 3452 1 6 . 1 1 31 31 SER CB C 31 64.272 64.272 63.521 0.751 18229 3453 1 6 . 1 1 31 31 SER H H 31 8.078 8.078 8.725 -0.647 18229 3454 1 6 . 1 1 32 32 THR N N 32 119.175 119.175 116.526 2.649 18229 3455 1 6 . 1 1 32 32 THR HA H 32 3.847 3.847 4.162 -0.315 18229 3456 1 6 . 1 1 32 32 THR C C 32 175.602 175.602 175.535 0.067 18229 3457 1 6 . 1 1 32 32 THR CA C 32 66.265 66.265 65.572 0.693 18229 3458 1 6 . 1 1 32 32 THR CB C 32 68.557 68.557 68.881 -0.324 18229 3459 1 6 . 1 1 32 32 THR H H 32 8.520 8.520 8.788 -0.268 18229 3460 1 6 . 1 1 33 33 ASP N N 33 117.286 117.286 120.136 -2.850 18229 3461 1 6 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.610 0.007 18229 3462 1 6 . 1 1 33 33 ASP C C 33 177.056 177.056 176.682 0.374 18229 3463 1 6 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.450 -0.225 18229 3464 1 6 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.342 -0.464 18229 3465 1 6 . 1 1 33 33 ASP H H 33 8.223 8.223 8.358 -0.135 18229 3466 1 6 . 1 1 34 34 GLY N N 34 109.197 109.197 106.210 2.987 18229 3467 1 6 . 1 1 34 34 GLY C C 34 173.762 173.762 174.407 -0.645 18229 3468 1 6 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.395 0.004 18229 3469 1 6 . 1 1 34 34 GLY H H 34 7.914 7.914 8.204 -0.290 18229 3470 1 6 . 1 1 35 35 ASP N N 35 118.081 118.081 118.289 -0.208 18229 3471 1 6 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.476 0.043 18229 3472 1 6 . 1 1 35 35 ASP C C 35 175.366 175.366 175.832 -0.466 18229 3473 1 6 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.789 -0.929 18229 3474 1 6 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.304 -0.331 18229 3475 1 6 . 1 1 35 35 ASP H H 35 8.238 8.238 8.450 -0.212 18229 3476 1 6 . 1 1 36 36 LYS N N 36 120.362 120.362 113.246 7.116 18229 3477 1 6 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.591 0.243 18229 3478 1 6 . 1 1 36 36 LYS C C 36 174.568 174.568 173.596 0.972 18229 3479 1 6 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.469 0.067 18229 3480 1 6 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.059 0.720 18229 3481 1 6 . 1 1 36 36 LYS H H 36 7.749 7.749 7.426 0.323 18229 3482 1 6 . 1 1 37 37 VAL N N 37 121.758 121.758 119.636 2.122 18229 3483 1 6 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.237 0.034 18229 3484 1 6 . 1 1 37 37 VAL C C 37 175.209 175.209 174.423 0.786 18229 3485 1 6 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.873 -0.610 18229 3486 1 6 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.449 0.534 18229 3487 1 6 . 1 1 37 37 VAL H H 37 8.526 8.526 8.566 -0.040 18229 3488 1 6 . 1 1 38 38 HIS N N 38 126.087 126.087 127.261 -1.174 18229 3489 1 6 . 1 1 38 38 HIS HA H 38 5.021 5.021 5.012 0.009 18229 3490 1 6 . 1 1 38 38 HIS C C 38 173.116 173.116 174.308 -1.192 18229 3491 1 6 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.609 1.198 18229 3492 1 6 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.685 0.298 18229 3493 1 6 . 1 1 38 38 HIS H H 38 9.633 9.633 9.505 0.128 18229 3494 1 6 . 1 1 39 39 THR N N 39 124.455 124.455 121.383 3.072 18229 3495 1 6 . 1 1 39 39 THR HA H 39 5.155 5.155 4.752 0.403 18229 3496 1 6 . 1 1 39 39 THR C C 39 173.102 173.102 173.213 -0.111 18229 3497 1 6 . 1 1 39 39 THR CA C 39 61.637 61.637 62.120 -0.483 18229 3498 1 6 . 1 1 39 39 THR CB C 39 70.716 70.716 69.377 1.339 18229 3499 1 6 . 1 1 39 39 THR H H 39 8.415 8.415 8.555 -0.140 18229 3500 1 6 . 1 1 40 40 VAL N N 40 126.066 126.066 126.558 -0.492 18229 3501 1 6 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.153 -0.200 18229 3502 1 6 . 1 1 40 40 VAL C C 40 174.693 174.693 173.941 0.752 18229 3503 1 6 . 1 1 40 40 VAL CA C 40 60.348 60.348 59.570 0.778 18229 3504 1 6 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.196 -0.922 18229 3505 1 6 . 1 1 40 40 VAL H H 40 9.387 9.387 9.168 0.219 18229 3506 1 6 . 1 1 41 41 VAL N N 41 129.775 129.775 128.753 1.022 18229 3507 1 6 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.483 -0.495 18229 3508 1 6 . 1 1 41 41 VAL C C 41 179.424 179.424 176.738 2.686 18229 3509 1 6 . 1 1 41 41 VAL CA C 41 63.744 63.744 59.610 4.134 18229 3510 1 6 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.316 0.635 18229 3511 1 6 . 1 1 41 41 VAL H H 41 9.021 9.021 8.627 0.394 18229 3512 1 6 . 1 1 42 42 LEU N N 42 129.645 129.645 128.723 0.922 18229 3513 1 6 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.080 -0.107 18229 3514 1 6 . 1 1 42 42 LEU C C 42 176.259 176.259 177.969 -1.710 18229 3515 1 6 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.515 1.128 18229 3516 1 6 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.093 -0.265 18229 3517 1 6 . 1 1 42 42 LEU H H 42 9.147 9.147 8.720 0.427 18229 3518 1 6 . 1 1 43 43 SER N N 43 110.158 110.158 112.628 -2.470 18229 3519 1 6 . 1 1 43 43 SER HA H 43 4.310 4.310 4.152 0.158 18229 3520 1 6 . 1 1 43 43 SER C C 43 175.263 175.263 176.101 -0.838 18229 3521 1 6 . 1 1 43 43 SER CA C 43 59.620 59.620 60.608 -0.988 18229 3522 1 6 . 1 1 43 43 SER CB C 43 61.543 61.543 63.457 -1.914 18229 3523 1 6 . 1 1 43 43 SER H H 43 7.006 7.006 8.068 -1.062 18229 3524 1 6 . 1 1 44 44 THR N N 44 110.206 110.206 114.025 -3.819 18229 3525 1 6 . 1 1 44 44 THR HA H 44 4.504 4.504 4.178 0.326 18229 3526 1 6 . 1 1 44 44 THR C C 44 173.489 173.489 175.843 -2.354 18229 3527 1 6 . 1 1 44 44 THR CA C 44 62.024 62.024 64.031 -2.007 18229 3528 1 6 . 1 1 44 44 THR CB C 44 69.805 69.805 69.036 0.769 18229 3529 1 6 . 1 1 44 44 THR H H 44 7.571 7.571 7.737 -0.166 18229 3530 1 6 . 1 1 45 45 ILE N N 45 120.322 120.322 123.496 -3.174 18229 3531 1 6 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.183 0.084 18229 3532 1 6 . 1 1 45 45 ILE C C 45 174.103 174.103 176.063 -1.960 18229 3533 1 6 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.405 -3.435 18229 3534 1 6 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.660 0.901 18229 3535 1 6 . 1 1 45 45 ILE H H 45 6.975 6.975 8.009 -1.034 18229 3536 1 6 . 1 1 46 46 ASP N N 46 126.492 126.492 126.834 -0.342 18229 3537 1 6 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.358 0.353 18229 3538 1 6 . 1 1 46 46 ASP C C 46 175.431 175.431 175.609 -0.178 18229 3539 1 6 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.723 -1.890 18229 3540 1 6 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.716 2.819 18229 3541 1 6 . 1 1 46 46 ASP H H 46 9.262 9.262 8.557 0.705 18229 3542 1 6 . 1 1 47 47 LYS N N 47 112.726 112.726 112.864 -0.138 18229 3543 1 6 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.481 0.226 18229 3544 1 6 . 1 1 47 47 LYS C C 47 172.673 172.673 173.793 -1.120 18229 3545 1 6 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.628 -0.807 18229 3546 1 6 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.654 1.954 18229 3547 1 6 . 1 1 47 47 LYS H H 47 7.572 7.572 7.533 0.039 18229 3548 1 6 . 1 1 48 48 LEU N N 48 124.840 124.840 123.754 1.086 18229 3549 1 6 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.971 0.080 18229 3550 1 6 . 1 1 48 48 LEU C C 48 173.965 173.965 175.829 -1.864 18229 3551 1 6 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.152 -1.132 18229 3552 1 6 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.487 2.077 18229 3553 1 6 . 1 1 48 48 LEU H H 48 9.013 9.013 8.487 0.526 18229 3554 1 6 . 1 1 49 49 GLN N N 49 121.648 121.648 125.249 -3.601 18229 3555 1 6 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.786 0.732 18229 3556 1 6 . 1 1 49 49 GLN C C 49 174.700 174.700 174.073 0.627 18229 3557 1 6 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.086 -0.486 18229 3558 1 6 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.901 1.125 18229 3559 1 6 . 1 1 49 49 GLN H H 49 9.260 9.260 9.401 -0.141 18229 3560 1 6 . 1 1 50 50 ALA N N 50 122.020 122.020 123.203 -1.183 18229 3561 1 6 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.157 0.590 18229 3562 1 6 . 1 1 50 50 ALA C C 50 177.167 177.167 176.188 0.979 18229 3563 1 6 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.026 -0.434 18229 3564 1 6 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.265 2.098 18229 3565 1 6 . 1 1 50 50 ALA H H 50 9.286 9.286 8.298 0.988 18229 3566 1 6 . 1 1 51 51 THR N N 51 114.222 114.222 114.644 -0.422 18229 3567 1 6 . 1 1 51 51 THR HA H 51 4.735 4.735 4.392 0.343 18229 3568 1 6 . 1 1 51 51 THR CA C 51 59.228 59.228 61.245 -2.017 18229 3569 1 6 . 1 1 51 51 THR CB C 51 67.954 67.954 68.169 -0.215 18229 3570 1 6 . 1 1 51 51 THR H H 51 8.340 8.340 8.890 -0.550 18229 3571 1 6 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.450 0.120 18229 3572 1 6 . 1 1 52 52 PRO C C 52 178.621 178.621 177.294 1.327 18229 3573 1 6 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.505 -0.077 18229 3574 1 6 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.778 -0.059 18229 3575 1 6 . 1 1 53 53 ALA N N 53 126.566 126.566 122.856 3.710 18229 3576 1 6 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.149 -0.094 18229 3577 1 6 . 1 1 53 53 ALA C C 53 177.578 177.578 179.256 -1.678 18229 3578 1 6 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.470 0.350 18229 3579 1 6 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.704 -0.847 18229 3580 1 6 . 1 1 53 53 ALA H H 53 9.109 9.109 8.433 0.676 18229 3581 1 6 . 1 1 54 54 SER N N 54 107.184 107.184 110.779 -3.595 18229 3582 1 6 . 1 1 54 54 SER HA H 54 4.235 4.235 4.382 -0.147 18229 3583 1 6 . 1 1 54 54 SER C C 54 174.838 174.838 174.284 0.554 18229 3584 1 6 . 1 1 54 54 SER CA C 54 58.116 58.116 59.398 -1.282 18229 3585 1 6 . 1 1 54 54 SER CB C 54 63.021 63.021 63.334 -0.313 18229 3586 1 6 . 1 1 54 54 SER H H 54 7.595 7.595 8.180 -0.585 18229 3587 1 6 . 1 1 55 55 SER N N 55 117.098 117.098 117.047 0.051 18229 3588 1 6 . 1 1 55 55 SER HA H 55 4.484 4.484 4.567 -0.083 18229 3589 1 6 . 1 1 55 55 SER C C 55 174.833 174.833 174.250 0.583 18229 3590 1 6 . 1 1 55 55 SER CA C 55 57.510 57.510 57.953 -0.443 18229 3591 1 6 . 1 1 55 55 SER CB C 55 64.121 64.121 63.921 0.200 18229 3592 1 6 . 1 1 55 55 SER H H 55 7.613 7.613 7.292 0.321 18229 3593 1 6 . 1 1 56 56 GLU N N 56 125.258 125.258 124.027 1.231 18229 3594 1 6 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.001 0.128 18229 3595 1 6 . 1 1 56 56 GLU C C 56 177.852 177.852 176.065 1.787 18229 3596 1 6 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.211 -0.599 18229 3597 1 6 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.961 -0.537 18229 3598 1 6 . 1 1 56 56 GLU H H 56 8.849 8.849 8.741 0.108 18229 3599 1 6 . 1 1 57 57 LYS N N 57 119.058 119.058 118.640 0.418 18229 3600 1 6 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.212 0.087 18229 3601 1 6 . 1 1 57 57 LYS C C 57 175.699 175.699 175.461 0.238 18229 3602 1 6 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.663 -0.018 18229 3603 1 6 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.030 1.240 18229 3604 1 6 . 1 1 57 57 LYS H H 57 8.060 8.060 7.914 0.146 18229 3605 1 6 . 1 1 58 58 MET N N 58 123.967 123.967 124.554 -0.587 18229 3606 1 6 . 1 1 58 58 MET HA H 58 4.345 4.345 4.764 -0.419 18229 3607 1 6 . 1 1 58 58 MET C C 58 174.213 174.213 175.383 -1.170 18229 3608 1 6 . 1 1 58 58 MET CA C 58 55.170 55.170 54.974 0.196 18229 3609 1 6 . 1 1 58 58 MET CB C 58 35.330 35.330 33.204 2.126 18229 3610 1 6 . 1 1 58 58 MET H H 58 8.828 8.828 8.708 0.120 18229 3611 1 6 . 1 1 59 59 MET N N 59 120.929 120.929 121.004 -0.075 18229 3612 1 6 . 1 1 59 59 MET HA H 59 5.905 5.905 5.329 0.576 18229 3613 1 6 . 1 1 59 59 MET C C 59 174.521 174.521 174.031 0.490 18229 3614 1 6 . 1 1 59 59 MET CA C 59 55.038 55.038 55.459 -0.421 18229 3615 1 6 . 1 1 59 59 MET CB C 59 39.549 39.549 37.932 1.617 18229 3616 1 6 . 1 1 59 59 MET H H 59 8.528 8.528 9.440 -0.912 18229 3617 1 6 . 1 1 60 60 LEU N N 60 117.623 117.623 121.385 -3.762 18229 3618 1 6 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.123 0.542 18229 3619 1 6 . 1 1 60 60 LEU C C 60 175.763 175.763 175.126 0.637 18229 3620 1 6 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.922 -0.737 18229 3621 1 6 . 1 1 60 60 LEU CB C 60 47.561 47.561 44.850 2.711 18229 3622 1 6 . 1 1 60 60 LEU H H 60 9.052 9.052 9.695 -0.643 18229 3623 1 6 . 1 1 61 61 ARG N N 61 120.407 120.407 122.391 -1.984 18229 3624 1 6 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.763 -0.292 18229 3625 1 6 . 1 1 61 61 ARG C C 61 173.286 173.286 174.262 -0.976 18229 3626 1 6 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.547 0.384 18229 3627 1 6 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.165 0.170 18229 3628 1 6 . 1 1 61 61 ARG H H 61 9.180 9.180 9.605 -0.425 18229 3629 1 6 . 1 1 62 62 LEU N N 62 126.471 126.471 125.767 0.704 18229 3630 1 6 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.163 0.035 18229 3631 1 6 . 1 1 62 62 LEU C C 62 175.447 175.447 175.900 -0.453 18229 3632 1 6 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.380 0.028 18229 3633 1 6 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.705 -1.272 18229 3634 1 6 . 1 1 62 62 LEU H H 62 9.203 9.203 8.996 0.207 18229 3635 1 6 . 1 1 63 63 ILE N N 63 123.282 123.282 123.627 -0.345 18229 3636 1 6 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.291 0.406 18229 3637 1 6 . 1 1 63 63 ILE C C 63 176.525 176.525 176.660 -0.135 18229 3638 1 6 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.413 0.263 18229 3639 1 6 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.702 1.003 18229 3640 1 6 . 1 1 63 63 ILE H H 63 8.983 8.983 9.094 -0.111 18229 3641 1 6 . 1 1 64 64 GLY N N 64 115.647 115.647 112.392 3.255 18229 3642 1 6 . 1 1 64 64 GLY C C 64 172.300 172.300 173.368 -1.068 18229 3643 1 6 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.654 2.008 18229 3644 1 6 . 1 1 64 64 GLY H H 64 9.372 9.372 9.054 0.318 18229 3645 1 6 . 1 1 65 65 LYS N N 65 119.107 119.107 124.512 -5.405 18229 3646 1 6 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.063 0.243 18229 3647 1 6 . 1 1 65 65 LYS C C 65 177.404 177.404 176.213 1.191 18229 3648 1 6 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.589 -1.088 18229 3649 1 6 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.771 1.647 18229 3650 1 6 . 1 1 65 65 LYS H H 65 8.289 8.289 8.094 0.195 18229 3651 1 6 . 1 1 66 66 VAL N N 66 122.231 122.231 122.695 -0.464 18229 3652 1 6 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.182 -0.103 18229 3653 1 6 . 1 1 66 66 VAL C C 66 175.253 175.253 175.705 -0.452 18229 3654 1 6 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.336 0.800 18229 3655 1 6 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.220 0.064 18229 3656 1 6 . 1 1 66 66 VAL H H 66 8.607 8.607 8.199 0.408 18229 3657 1 6 . 1 1 67 67 ASP N N 67 125.538 125.538 125.033 0.505 18229 3658 1 6 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.876 -0.177 18229 3659 1 6 . 1 1 67 67 ASP C C 67 176.601 176.601 176.672 -0.071 18229 3660 1 6 . 1 1 67 67 ASP CA C 67 53.058 53.058 54.175 -1.117 18229 3661 1 6 . 1 1 67 67 ASP CB C 67 40.872 40.872 41.321 -0.449 18229 3662 1 6 . 1 1 67 67 ASP H H 67 8.457 8.457 8.716 -0.259 18229 3663 1 6 . 1 1 68 68 GLU N N 68 124.433 124.433 119.982 4.451 18229 3664 1 6 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.206 -0.082 18229 3665 1 6 . 1 1 68 68 GLU C C 68 177.344 177.344 177.883 -0.539 18229 3666 1 6 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.977 -1.342 18229 3667 1 6 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.632 0.048 18229 3668 1 6 . 1 1 68 68 GLU H H 68 8.712 8.712 8.233 0.479 18229 3669 1 6 . 1 1 69 69 SER N N 69 115.596 115.596 113.120 2.476 18229 3670 1 6 . 1 1 69 69 SER HA H 69 4.328 4.328 4.276 0.052 18229 3671 1 6 . 1 1 69 69 SER C C 69 175.180 175.180 175.579 -0.399 18229 3672 1 6 . 1 1 69 69 SER CA C 69 60.146 60.146 60.317 -0.171 18229 3673 1 6 . 1 1 69 69 SER CB C 69 63.383 63.383 63.001 0.383 18229 3674 1 6 . 1 1 69 69 SER H H 69 8.467 8.467 8.182 0.285 18229 3675 1 6 . 1 1 70 70 LYS N N 70 121.738 121.738 119.666 2.072 18229 3676 1 6 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.159 0.247 18229 3677 1 6 . 1 1 70 70 LYS C C 70 176.165 176.165 175.899 0.266 18229 3678 1 6 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.614 -1.204 18229 3679 1 6 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.918 -0.418 18229 3680 1 6 . 1 1 70 70 LYS H H 70 7.675 7.675 7.583 0.092 18229 3681 1 6 . 1 1 71 71 LYS N N 71 121.087 121.087 116.651 4.436 18229 3682 1 6 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.089 0.319 18229 3683 1 6 . 1 1 71 71 LYS C C 71 176.134 176.134 175.100 1.034 18229 3684 1 6 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.065 -0.460 18229 3685 1 6 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.296 1.987 18229 3686 1 6 . 1 1 71 71 LYS H H 71 7.739 7.739 8.124 -0.385 18229 3687 1 6 . 1 1 72 72 ARG N N 72 122.147 122.147 120.300 1.847 18229 3688 1 6 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.570 0.014 18229 3689 1 6 . 1 1 72 72 ARG C C 72 175.217 175.217 174.340 0.877 18229 3690 1 6 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.664 0.377 18229 3691 1 6 . 1 1 72 72 ARG CB C 72 32.354 32.354 33.598 -1.244 18229 3692 1 6 . 1 1 72 72 ARG H H 72 8.402 8.402 7.990 0.412 18229 3693 1 6 . 1 1 73 73 LYS N N 73 121.242 121.242 119.888 1.354 18229 3694 1 6 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.584 0.315 18229 3695 1 6 . 1 1 73 73 LYS C C 73 176.966 176.966 175.459 1.507 18229 3696 1 6 . 1 1 73 73 LYS CA C 73 55.365 55.365 54.677 0.688 18229 3697 1 6 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.851 -0.220 18229 3698 1 6 . 1 1 73 73 LYS H H 73 8.386 8.386 8.267 0.119 18229 3699 1 6 . 1 1 74 74 ASP N N 74 122.007 122.007 119.814 2.193 18229 3700 1 6 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.673 -0.022 18229 3701 1 6 . 1 1 74 74 ASP C C 74 177.401 177.401 177.440 -0.039 18229 3702 1 6 . 1 1 74 74 ASP CA C 74 52.840 52.840 53.320 -0.480 18229 3703 1 6 . 1 1 74 74 ASP CB C 74 41.008 41.008 42.832 -1.824 18229 3704 1 6 . 1 1 74 74 ASP H H 74 8.559 8.559 8.310 0.249 18229 3705 1 6 . 1 1 75 75 ASN N N 75 116.263 116.263 118.793 -2.530 18229 3706 1 6 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.527 0.008 18229 3707 1 6 . 1 1 75 75 ASN C C 75 175.944 175.944 175.512 0.432 18229 3708 1 6 . 1 1 75 75 ASN CA C 75 54.877 54.877 55.018 -0.141 18229 3709 1 6 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.471 -0.361 18229 3710 1 6 . 1 1 75 75 ASN H H 75 8.414 8.414 8.628 -0.214 18229 3711 1 6 . 1 1 76 76 GLU N N 76 118.940 118.940 118.507 0.433 18229 3712 1 6 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.393 0.000 18229 3713 1 6 . 1 1 76 76 GLU C C 76 176.512 176.512 176.387 0.125 18229 3714 1 6 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.585 0.581 18229 3715 1 6 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.434 0.576 18229 3716 1 6 . 1 1 76 76 GLU H H 76 8.133 8.133 7.713 0.420 18229 3717 1 6 . 1 1 77 77 GLY N N 77 108.056 108.056 109.197 -1.141 18229 3718 1 6 . 1 1 77 77 GLY C C 77 174.193 174.193 174.416 -0.223 18229 3719 1 6 . 1 1 77 77 GLY CA C 77 45.287 45.287 46.034 -0.747 18229 3720 1 6 . 1 1 77 77 GLY H H 77 8.083 8.083 7.893 0.190 18229 3721 1 6 . 1 1 78 78 ASN N N 78 119.896 119.896 117.728 2.168 18229 3722 1 6 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.577 0.165 18229 3723 1 6 . 1 1 78 78 ASN C C 78 175.006 175.006 174.429 0.577 18229 3724 1 6 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.273 0.554 18229 3725 1 6 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.757 -0.761 18229 3726 1 6 . 1 1 78 78 ASN H H 78 8.537 8.537 7.725 0.812 18229 3727 1 6 . 1 1 79 79 GLU N N 79 121.648 121.648 117.628 4.020 18229 3728 1 6 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.637 -0.166 18229 3729 1 6 . 1 1 79 79 GLU C C 79 176.268 176.268 175.830 0.438 18229 3730 1 6 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.778 0.832 18229 3731 1 6 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.935 -1.628 18229 3732 1 6 . 1 1 79 79 GLU H H 79 8.674 8.674 8.338 0.336 18229 3733 1 6 . 1 1 80 80 VAL N N 80 124.083 124.083 125.679 -1.596 18229 3734 1 6 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.221 0.027 18229 3735 1 6 . 1 1 80 80 VAL C C 80 175.537 175.537 176.292 -0.755 18229 3736 1 6 . 1 1 80 80 VAL CA C 80 61.465 61.465 63.991 -2.526 18229 3737 1 6 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.953 0.600 18229 3738 1 6 . 1 1 80 80 VAL H H 80 8.554 8.554 9.148 -0.594 18229 3739 1 6 . 1 1 81 81 VAL N N 81 126.640 126.640 119.927 6.713 18229 3740 1 6 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.912 0.515 18229 3741 1 6 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.934 -2.329 18229 3742 1 6 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.823 1.054 18229 3743 1 6 . 1 1 81 81 VAL H H 81 8.390 8.390 7.928 0.462 18229 3744 1 6 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.305 0.122 18229 3745 1 6 . 1 1 82 82 PRO C C 82 176.034 176.034 175.970 0.064 18229 3746 1 6 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.528 -0.818 18229 3747 1 6 . 1 1 82 82 PRO CB C 82 32.352 32.352 31.970 0.383 18229 3748 1 6 . 1 1 83 83 LYS N N 83 121.719 121.719 124.593 -2.874 18229 3749 1 6 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.504 0.044 18229 3750 1 6 . 1 1 83 83 LYS CA C 83 53.856 53.856 54.672 -0.816 18229 3751 1 6 . 1 1 83 83 LYS CB C 83 32.330 32.330 33.060 -0.730 18229 3752 1 6 . 1 1 83 83 LYS H H 83 8.308 8.308 8.249 0.059 18229 3753 1 6 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.501 -0.205 18229 3754 1 6 . 1 1 84 84 PRO C C 84 176.773 176.773 175.989 0.784 18229 3755 1 6 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.680 -0.124 18229 3756 1 6 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.321 0.297 18229 3757 1 6 . 1 1 85 85 GLN N N 85 121.395 121.395 123.178 -1.783 18229 3758 1 6 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.446 -0.305 18229 3759 1 6 . 1 1 85 85 GLN C C 85 174.940 174.940 174.694 0.246 18229 3760 1 6 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.105 0.957 18229 3761 1 6 . 1 1 85 85 GLN CB C 85 29.730 29.730 30.980 -1.250 18229 3762 1 6 . 1 1 85 85 GLN H H 85 8.464 8.464 8.579 -0.115 18229 3763 1 6 . 1 1 86 86 ARG N N 86 121.035 121.035 119.500 1.535 18229 3764 1 6 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.872 0.255 18229 3765 1 6 . 1 1 86 86 ARG C C 86 175.052 175.052 174.882 0.170 18229 3766 1 6 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.956 -0.422 18229 3767 1 6 . 1 1 86 86 ARG CB C 86 33.333 33.333 34.134 -0.801 18229 3768 1 6 . 1 1 86 86 ARG H H 86 8.248 8.248 8.383 -0.135 18229 3769 1 6 . 1 1 87 87 HIS N N 87 120.780 120.780 121.489 -0.709 18229 3770 1 6 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.810 -0.128 18229 3771 1 6 . 1 1 87 87 HIS C C 87 173.558 173.558 173.744 -0.186 18229 3772 1 6 . 1 1 87 87 HIS CA C 87 54.192 54.192 55.130 -0.938 18229 3773 1 6 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.843 2.212 18229 3774 1 6 . 1 1 87 87 HIS H H 87 8.659 8.659 8.978 -0.319 18229 3775 1 6 . 1 1 88 88 MET N N 88 126.780 126.780 125.054 1.726 18229 3776 1 6 . 1 1 88 88 MET HA H 88 5.283 5.283 4.475 0.808 18229 3777 1 6 . 1 1 88 88 MET C C 88 173.297 173.297 173.620 -0.323 18229 3778 1 6 . 1 1 88 88 MET CA C 88 54.835 54.835 55.046 -0.211 18229 3779 1 6 . 1 1 88 88 MET CB C 88 35.794 35.794 33.325 2.469 18229 3780 1 6 . 1 1 88 88 MET H H 88 8.710 8.710 8.619 0.091 18229 3781 1 6 . 1 1 89 89 PHE N N 89 122.543 122.543 126.808 -4.265 18229 3782 1 6 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.533 -0.338 18229 3783 1 6 . 1 1 89 89 PHE C C 89 174.410 174.410 175.062 -0.652 18229 3784 1 6 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.462 0.917 18229 3785 1 6 . 1 1 89 89 PHE CB C 89 44.189 44.189 40.696 3.493 18229 3786 1 6 . 1 1 89 89 PHE H H 89 8.969 8.969 9.361 -0.392 18229 3787 1 6 . 1 1 90 90 SER N N 90 116.192 116.192 120.419 -4.227 18229 3788 1 6 . 1 1 90 90 SER HA H 90 5.696 5.696 4.924 0.772 18229 3789 1 6 . 1 1 90 90 SER C C 90 173.030 173.030 173.859 -0.829 18229 3790 1 6 . 1 1 90 90 SER CA C 90 56.771 56.771 57.740 -0.969 18229 3791 1 6 . 1 1 90 90 SER CB C 90 64.961 64.961 63.829 1.132 18229 3792 1 6 . 1 1 90 90 SER H H 90 8.657 8.657 8.727 -0.070 18229 3793 1 6 . 1 1 91 91 PHE N N 91 120.710 120.710 125.190 -4.480 18229 3794 1 6 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.709 0.178 18229 3795 1 6 . 1 1 91 91 PHE C C 91 174.442 174.442 176.597 -2.155 18229 3796 1 6 . 1 1 91 91 PHE CA C 91 57.425 57.425 57.639 -0.214 18229 3797 1 6 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.514 2.878 18229 3798 1 6 . 1 1 91 91 PHE H H 91 9.001 9.001 8.556 0.445 18229 3799 1 6 . 1 1 92 92 ASN N N 92 115.967 115.967 123.258 -7.291 18229 3800 1 6 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.832 0.275 18229 3801 1 6 . 1 1 92 92 ASN C C 92 174.835 174.835 174.142 0.693 18229 3802 1 6 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.307 -0.056 18229 3803 1 6 . 1 1 92 92 ASN CB C 92 39.889 39.889 37.944 1.945 18229 3804 1 6 . 1 1 92 92 ASN H H 92 9.093 9.093 8.885 0.208 18229 3805 1 6 . 1 1 93 93 ASN N N 93 118.401 118.401 116.723 1.678 18229 3806 1 6 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.798 0.124 18229 3807 1 6 . 1 1 93 93 ASN C C 93 174.524 174.524 174.606 -0.082 18229 3808 1 6 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.504 -0.491 18229 3809 1 6 . 1 1 93 93 ASN CB C 93 41.761 41.761 39.867 1.894 18229 3810 1 6 . 1 1 93 93 ASN H H 93 7.252 7.252 7.514 -0.262 18229 3811 1 6 . 1 1 94 94 ARG N N 94 129.175 129.175 124.793 4.382 18229 3812 1 6 . 1 1 94 94 ARG HA H 94 3.865 3.865 3.999 -0.134 18229 3813 1 6 . 1 1 94 94 ARG C C 94 176.797 176.797 177.016 -0.219 18229 3814 1 6 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.601 -0.118 18229 3815 1 6 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.062 0.066 18229 3816 1 6 . 1 1 94 94 ARG H H 94 9.309 9.309 9.001 0.308 18229 3817 1 6 . 1 1 95 95 THR N N 95 115.594 115.594 113.672 1.922 18229 3818 1 6 . 1 1 95 95 THR HA H 95 4.021 4.021 4.052 -0.031 18229 3819 1 6 . 1 1 95 95 THR C C 95 176.735 176.735 176.138 0.597 18229 3820 1 6 . 1 1 95 95 THR CA C 95 66.430 66.430 66.493 -0.063 18229 3821 1 6 . 1 1 95 95 THR CB C 95 68.357 68.357 68.112 0.245 18229 3822 1 6 . 1 1 95 95 THR H H 95 7.973 7.973 8.183 -0.210 18229 3823 1 6 . 1 1 96 96 VAL N N 96 121.833 121.833 122.367 -0.534 18229 3824 1 6 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.667 0.116 18229 3825 1 6 . 1 1 96 96 VAL C C 96 177.561 177.561 177.821 -0.260 18229 3826 1 6 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.384 -0.259 18229 3827 1 6 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.438 0.763 18229 3828 1 6 . 1 1 96 96 VAL H H 96 7.565 7.565 7.656 -0.091 18229 3829 1 6 . 1 1 97 97 MET N N 97 117.429 117.429 117.403 0.026 18229 3830 1 6 . 1 1 97 97 MET HA H 97 4.551 4.551 3.420 1.131 18229 3831 1 6 . 1 1 97 97 MET C C 97 177.257 177.257 177.588 -0.331 18229 3832 1 6 . 1 1 97 97 MET CA C 97 59.753 59.753 58.436 1.317 18229 3833 1 6 . 1 1 97 97 MET CB C 97 32.515 32.515 31.571 0.944 18229 3834 1 6 . 1 1 97 97 MET H H 97 7.336 7.336 8.131 -0.795 18229 3835 1 6 . 1 1 98 98 ASP N N 98 118.159 118.159 120.173 -2.014 18229 3836 1 6 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.289 0.026 18229 3837 1 6 . 1 1 98 98 ASP C C 98 178.771 178.771 177.704 1.067 18229 3838 1 6 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.235 0.369 18229 3839 1 6 . 1 1 98 98 ASP CB C 98 39.664 39.664 41.060 -1.397 18229 3840 1 6 . 1 1 98 98 ASP H H 98 8.712 8.712 8.357 0.355 18229 3841 1 6 . 1 1 99 99 ASN N N 99 120.354 120.354 117.056 3.298 18229 3842 1 6 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.590 -0.110 18229 3843 1 6 . 1 1 99 99 ASN C C 99 178.232 178.232 177.689 0.543 18229 3844 1 6 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.144 1.156 18229 3845 1 6 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.237 -0.789 18229 3846 1 6 . 1 1 99 99 ASN H H 99 8.084 8.084 7.963 0.121 18229 3847 1 6 . 1 1 100 100 ILE N N 100 120.990 120.990 122.220 -1.230 18229 3848 1 6 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.997 -0.360 18229 3849 1 6 . 1 1 100 100 ILE C C 100 177.463 177.463 177.745 -0.282 18229 3850 1 6 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.792 -1.019 18229 3851 1 6 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.904 -2.437 18229 3852 1 6 . 1 1 100 100 ILE H H 100 8.017 8.017 8.477 -0.460 18229 3853 1 6 . 1 1 101 101 LYS N N 101 120.814 120.814 119.699 1.115 18229 3854 1 6 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.814 -0.179 18229 3855 1 6 . 1 1 101 101 LYS C C 101 177.365 177.365 179.036 -1.671 18229 3856 1 6 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.863 0.773 18229 3857 1 6 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.313 0.678 18229 3858 1 6 . 1 1 101 101 LYS H H 101 8.944 8.944 8.204 0.740 18229 3859 1 6 . 1 1 102 102 MET N N 102 116.514 116.514 113.820 2.694 18229 3860 1 6 . 1 1 102 102 MET HA H 102 4.209 4.209 4.362 -0.153 18229 3861 1 6 . 1 1 102 102 MET C C 102 178.925 178.925 177.660 1.265 18229 3862 1 6 . 1 1 102 102 MET CA C 102 58.720 58.720 58.735 -0.015 18229 3863 1 6 . 1 1 102 102 MET CB C 102 32.299 32.299 32.302 -0.003 18229 3864 1 6 . 1 1 102 102 MET H H 102 8.123 8.123 7.620 0.503 18229 3865 1 6 . 1 1 103 103 THR N N 103 118.583 118.583 118.863 -0.280 18229 3866 1 6 . 1 1 103 103 THR HA H 103 3.882 3.882 3.925 -0.043 18229 3867 1 6 . 1 1 103 103 THR C C 103 176.474 176.474 176.724 -0.250 18229 3868 1 6 . 1 1 103 103 THR CA C 103 66.489 66.489 66.417 0.072 18229 3869 1 6 . 1 1 103 103 THR CB C 103 67.864 67.864 68.603 -0.739 18229 3870 1 6 . 1 1 103 103 THR H H 103 7.768 7.768 7.803 -0.035 18229 3871 1 6 . 1 1 104 104 LEU N N 104 119.575 119.575 121.075 -1.500 18229 3872 1 6 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.894 -0.012 18229 3873 1 6 . 1 1 104 104 LEU C C 104 177.935 177.935 179.154 -1.219 18229 3874 1 6 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.346 -0.370 18229 3875 1 6 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.155 1.167 18229 3876 1 6 . 1 1 104 104 LEU H H 104 8.537 8.537 7.956 0.581 18229 3877 1 6 . 1 1 105 105 GLN N N 105 119.463 119.463 117.533 1.930 18229 3878 1 6 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.830 -0.121 18229 3879 1 6 . 1 1 105 105 GLN C C 105 178.507 178.507 178.378 0.129 18229 3880 1 6 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.956 0.784 18229 3881 1 6 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.119 0.520 18229 3882 1 6 . 1 1 105 105 GLN H H 105 8.736 8.736 7.674 1.062 18229 3883 1 6 . 1 1 106 106 GLN N N 106 118.984 118.984 118.529 0.455 18229 3884 1 6 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.011 -0.035 18229 3885 1 6 . 1 1 106 106 GLN C C 106 178.454 178.454 177.913 0.541 18229 3886 1 6 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.652 0.366 18229 3887 1 6 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.257 0.195 18229 3888 1 6 . 1 1 106 106 GLN H H 106 7.689 7.689 8.214 -0.525 18229 3889 1 6 . 1 1 107 107 ILE N N 107 119.928 119.928 118.598 1.330 18229 3890 1 6 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.956 -0.493 18229 3891 1 6 . 1 1 107 107 ILE C C 107 177.492 177.492 178.033 -0.541 18229 3892 1 6 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.777 1.665 18229 3893 1 6 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.679 0.816 18229 3894 1 6 . 1 1 107 107 ILE H H 107 7.910 7.910 7.390 0.520 18229 3895 1 6 . 1 1 108 108 ILE N N 108 117.958 117.958 121.061 -3.103 18229 3896 1 6 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.304 2.455 18229 3897 1 6 . 1 1 108 108 ILE C C 108 178.625 178.625 177.698 0.927 18229 3898 1 6 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.904 0.674 18229 3899 1 6 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.581 1.671 18229 3900 1 6 . 1 1 108 108 ILE H H 108 8.767 8.767 8.433 0.334 18229 3901 1 6 . 1 1 109 109 SER N N 109 113.450 113.450 114.763 -1.313 18229 3902 1 6 . 1 1 109 109 SER HA H 109 4.271 4.271 3.951 0.320 18229 3903 1 6 . 1 1 109 109 SER C C 109 175.966 175.966 176.312 -0.346 18229 3904 1 6 . 1 1 109 109 SER CA C 109 62.205 62.205 61.319 0.886 18229 3905 1 6 . 1 1 109 109 SER CB C 109 63.094 63.094 62.801 0.293 18229 3906 1 6 . 1 1 109 109 SER H H 109 7.797 7.797 8.115 -0.318 18229 3907 1 6 . 1 1 110 110 ARG N N 110 120.739 120.739 120.922 -0.183 18229 3908 1 6 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.153 -0.034 18229 3909 1 6 . 1 1 110 110 ARG C C 110 179.056 179.056 178.907 0.149 18229 3910 1 6 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.896 -0.076 18229 3911 1 6 . 1 1 110 110 ARG CB C 110 29.799 29.799 29.948 -0.149 18229 3912 1 6 . 1 1 110 110 ARG H H 110 7.450 7.450 8.102 -0.652 18229 3913 1 6 . 1 1 111 111 TYR N N 111 117.972 117.972 119.846 -1.874 18229 3914 1 6 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.341 0.365 18229 3915 1 6 . 1 1 111 111 TYR C C 111 177.853 177.853 178.050 -0.197 18229 3916 1 6 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.285 0.328 18229 3917 1 6 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.576 -0.268 18229 3918 1 6 . 1 1 111 111 TYR H H 111 7.558 7.558 8.422 -0.864 18229 3919 1 6 . 1 1 112 112 LYS N N 112 120.615 120.615 117.888 2.727 18229 3920 1 6 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.185 0.196 18229 3921 1 6 . 1 1 112 112 LYS C C 112 177.893 177.893 177.995 -0.102 18229 3922 1 6 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.631 -0.042 18229 3923 1 6 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.092 0.511 18229 3924 1 6 . 1 1 112 112 LYS H H 112 8.080 8.080 7.429 0.651 18229 3925 1 6 . 1 1 113 113 ASP N N 113 120.325 120.325 119.988 0.337 18229 3926 1 6 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.481 0.163 18229 3927 1 6 . 1 1 113 113 ASP C C 113 176.950 176.950 177.135 -0.185 18229 3928 1 6 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.999 -0.736 18229 3929 1 6 . 1 1 113 113 ASP CB C 113 40.891 40.891 41.089 -0.198 18229 3930 1 6 . 1 1 113 113 ASP H H 113 8.191 8.191 8.266 -0.075 18229 3931 1 6 . 1 1 114 114 ALA N N 114 122.906 122.906 120.919 1.987 18229 3932 1 6 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.339 0.009 18229 3933 1 6 . 1 1 114 114 ALA C C 114 178.055 178.055 178.033 0.022 18229 3934 1 6 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.065 1.109 18229 3935 1 6 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.628 -0.528 18229 3936 1 6 . 1 1 114 114 ALA H H 114 7.900 7.900 7.727 0.173 18229 3937 1 7 . 1 1 2 2 SER N N 2 113.055 113.055 114.290 -1.235 18229 3938 1 7 . 1 1 2 2 SER HA H 2 4.418 4.418 4.255 0.163 18229 3939 1 7 . 1 1 2 2 SER C C 2 174.994 174.994 174.588 0.406 18229 3940 1 7 . 1 1 2 2 SER CA C 2 58.540 58.540 59.204 -0.664 18229 3941 1 7 . 1 1 2 2 SER CB C 2 63.748 63.748 63.061 0.687 18229 3942 1 7 . 1 1 2 2 SER H H 2 8.061 8.061 8.332 -0.271 18229 3943 1 7 . 1 1 3 3 HIS N N 3 119.062 119.062 116.660 2.402 18229 3944 1 7 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.598 0.137 18229 3945 1 7 . 1 1 3 3 HIS C C 3 173.417 173.417 173.815 -0.398 18229 3946 1 7 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.296 0.008 18229 3947 1 7 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.412 0.135 18229 3948 1 7 . 1 1 3 3 HIS H H 3 8.410 8.410 8.299 0.111 18229 3949 1 7 . 1 1 4 4 SER N N 4 113.520 113.520 112.635 0.885 18229 3950 1 7 . 1 1 4 4 SER HA H 4 5.516 5.516 5.117 0.399 18229 3951 1 7 . 1 1 4 4 SER C C 4 173.602 173.602 172.885 0.717 18229 3952 1 7 . 1 1 4 4 SER CA C 4 57.005 57.005 57.456 -0.451 18229 3953 1 7 . 1 1 4 4 SER CB C 4 65.989 65.989 66.392 -0.403 18229 3954 1 7 . 1 1 4 4 SER H H 4 7.817 7.817 7.349 0.468 18229 3955 1 7 . 1 1 5 5 GLY N N 5 106.959 106.959 105.898 1.061 18229 3956 1 7 . 1 1 5 5 GLY C C 5 171.058 171.058 172.147 -1.089 18229 3957 1 7 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.827 -0.356 18229 3958 1 7 . 1 1 5 5 GLY H H 5 8.356 8.356 8.775 -0.419 18229 3959 1 7 . 1 1 6 6 ALA N N 6 125.264 125.264 124.608 0.656 18229 3960 1 7 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.558 0.403 18229 3961 1 7 . 1 1 6 6 ALA C C 6 176.831 176.831 175.514 1.317 18229 3962 1 7 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.877 0.868 18229 3963 1 7 . 1 1 6 6 ALA CB C 6 19.380 19.380 19.979 -0.599 18229 3964 1 7 . 1 1 6 6 ALA H H 6 8.641 8.641 8.588 0.053 18229 3965 1 7 . 1 1 7 7 ALA N N 7 119.937 119.937 123.580 -3.643 18229 3966 1 7 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.351 0.304 18229 3967 1 7 . 1 1 7 7 ALA C C 7 176.683 176.683 175.410 1.273 18229 3968 1 7 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.192 1.553 18229 3969 1 7 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.962 2.075 18229 3970 1 7 . 1 1 7 7 ALA H H 7 8.370 8.370 7.905 0.465 18229 3971 1 7 . 1 1 8 8 ILE N N 8 125.430 125.430 119.439 5.991 18229 3972 1 7 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.261 -0.266 18229 3973 1 7 . 1 1 8 8 ILE C C 8 175.310 175.310 175.044 0.266 18229 3974 1 7 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.216 1.736 18229 3975 1 7 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.531 1.157 18229 3976 1 7 . 1 1 8 8 ILE H H 8 9.349 9.349 8.467 0.882 18229 3977 1 7 . 1 1 9 9 PHE N N 9 128.906 128.906 127.615 1.291 18229 3978 1 7 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.479 -0.187 18229 3979 1 7 . 1 1 9 9 PHE C C 9 173.925 173.925 174.620 -0.695 18229 3980 1 7 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.074 1.197 18229 3981 1 7 . 1 1 9 9 PHE CB C 9 39.567 39.567 40.005 -0.438 18229 3982 1 7 . 1 1 9 9 PHE H H 9 8.450 8.450 8.801 -0.351 18229 3983 1 7 . 1 1 10 10 GLU N N 10 126.509 126.509 127.464 -0.955 18229 3984 1 7 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.546 -0.342 18229 3985 1 7 . 1 1 10 10 GLU C C 10 175.157 175.157 175.464 -0.307 18229 3986 1 7 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.801 -0.022 18229 3987 1 7 . 1 1 10 10 GLU CB C 10 26.449 26.449 26.867 -0.418 18229 3988 1 7 . 1 1 10 10 GLU H H 10 8.749 8.749 8.811 -0.062 18229 3989 1 7 . 1 1 11 11 LYS N N 11 105.729 105.729 110.279 -4.550 18229 3990 1 7 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.842 -0.439 18229 3991 1 7 . 1 1 11 11 LYS C C 11 175.543 175.543 175.454 0.089 18229 3992 1 7 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.828 0.726 18229 3993 1 7 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.132 -0.955 18229 3994 1 7 . 1 1 11 11 LYS H H 11 7.931 7.931 8.347 -0.416 18229 3995 1 7 . 1 1 12 12 VAL N N 12 123.753 123.753 121.198 2.555 18229 3996 1 7 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.257 0.160 18229 3997 1 7 . 1 1 12 12 VAL C C 12 175.120 175.120 175.308 -0.188 18229 3998 1 7 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.277 0.495 18229 3999 1 7 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.242 0.038 18229 4000 1 7 . 1 1 12 12 VAL H H 12 7.901 7.901 7.349 0.552 18229 4001 1 7 . 1 1 13 13 SER N N 13 121.941 121.941 119.184 2.757 18229 4002 1 7 . 1 1 13 13 SER HA H 13 4.627 4.627 4.986 -0.359 18229 4003 1 7 . 1 1 13 13 SER C C 13 175.339 175.339 174.101 1.238 18229 4004 1 7 . 1 1 13 13 SER CA C 13 59.813 59.813 57.389 2.424 18229 4005 1 7 . 1 1 13 13 SER CB C 13 63.763 63.763 63.853 -0.090 18229 4006 1 7 . 1 1 13 13 SER H H 13 8.876 8.876 8.625 0.251 18229 4007 1 7 . 1 1 14 14 GLY N N 14 113.199 113.199 112.053 1.146 18229 4008 1 7 . 1 1 14 14 GLY C C 14 172.742 172.742 172.153 0.589 18229 4009 1 7 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.234 2.286 18229 4010 1 7 . 1 1 14 14 GLY H H 14 8.277 8.277 9.063 -0.786 18229 4011 1 7 . 1 1 15 15 ILE N N 15 123.240 123.240 119.498 3.742 18229 4012 1 7 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.439 0.371 18229 4013 1 7 . 1 1 15 15 ILE C C 15 175.370 175.370 173.885 1.485 18229 4014 1 7 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.639 0.681 18229 4015 1 7 . 1 1 15 15 ILE CB C 15 41.606 41.606 39.910 1.696 18229 4016 1 7 . 1 1 15 15 ILE H H 15 8.298 8.298 8.592 -0.294 18229 4017 1 7 . 1 1 16 16 ILE N N 16 127.865 127.865 128.447 -0.582 18229 4018 1 7 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.509 0.491 18229 4019 1 7 . 1 1 16 16 ILE C C 16 173.119 173.119 174.083 -0.964 18229 4020 1 7 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.937 -0.182 18229 4021 1 7 . 1 1 16 16 ILE CB C 16 41.868 41.868 39.503 2.365 18229 4022 1 7 . 1 1 16 16 ILE H H 16 9.428 9.428 8.983 0.445 18229 4023 1 7 . 1 1 17 17 ALA N N 17 127.742 127.742 131.861 -4.119 18229 4024 1 7 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.978 0.096 18229 4025 1 7 . 1 1 17 17 ALA C C 17 176.203 176.203 175.658 0.545 18229 4026 1 7 . 1 1 17 17 ALA CA C 17 51.391 51.391 50.062 1.329 18229 4027 1 7 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.248 0.942 18229 4028 1 7 . 1 1 17 17 ALA H H 17 8.966 8.966 9.012 -0.046 18229 4029 1 7 . 1 1 18 18 ILE N N 18 122.269 122.269 124.028 -1.759 18229 4030 1 7 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.461 0.160 18229 4031 1 7 . 1 1 18 18 ILE C C 18 174.306 174.306 175.921 -1.615 18229 4032 1 7 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.026 -0.526 18229 4033 1 7 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.226 -0.079 18229 4034 1 7 . 1 1 18 18 ILE H H 18 8.672 8.672 8.288 0.384 18229 4035 1 7 . 1 1 19 19 ASN N N 19 127.575 127.575 124.791 2.784 18229 4036 1 7 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.827 0.235 18229 4037 1 7 . 1 1 19 19 ASN C C 19 174.730 174.730 174.409 0.321 18229 4038 1 7 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.583 -0.854 18229 4039 1 7 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.999 -0.503 18229 4040 1 7 . 1 1 19 19 ASN H H 19 9.350 9.350 9.020 0.330 18229 4041 1 7 . 1 1 20 20 GLU N N 20 121.547 121.547 122.381 -0.834 18229 4042 1 7 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.102 0.575 18229 4043 1 7 . 1 1 20 20 GLU C C 20 176.091 176.091 175.849 0.242 18229 4044 1 7 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.908 -2.106 18229 4045 1 7 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.800 0.872 18229 4046 1 7 . 1 1 20 20 GLU H H 20 9.037 9.037 8.276 0.761 18229 4047 1 7 . 1 1 21 21 ASP N N 21 121.086 121.086 118.313 2.773 18229 4048 1 7 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.580 0.049 18229 4049 1 7 . 1 1 21 21 ASP C C 21 175.651 175.651 176.623 -0.972 18229 4050 1 7 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.528 0.971 18229 4051 1 7 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.643 -0.093 18229 4052 1 7 . 1 1 21 21 ASP H H 21 8.706 8.706 8.357 0.349 18229 4053 1 7 . 1 1 22 22 VAL N N 22 113.108 113.108 117.245 -4.137 18229 4054 1 7 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.256 0.060 18229 4055 1 7 . 1 1 22 22 VAL C C 22 173.407 173.407 174.934 -1.527 18229 4056 1 7 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.776 -1.623 18229 4057 1 7 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.377 0.652 18229 4058 1 7 . 1 1 22 22 VAL H H 22 6.819 6.819 7.253 -0.434 18229 4059 1 7 . 1 1 23 23 SER N N 23 115.009 115.009 113.851 1.158 18229 4060 1 7 . 1 1 23 23 SER HA H 23 4.735 4.735 4.625 0.110 18229 4061 1 7 . 1 1 23 23 SER CA C 23 53.848 53.848 57.216 -3.368 18229 4062 1 7 . 1 1 23 23 SER CB C 23 64.810 64.810 63.958 0.852 18229 4063 1 7 . 1 1 23 23 SER H H 23 8.032 8.032 8.117 -0.085 18229 4064 1 7 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.442 0.342 18229 4065 1 7 . 1 1 24 24 PRO C C 24 174.825 174.825 176.103 -1.278 18229 4066 1 7 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.547 0.301 18229 4067 1 7 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.570 2.231 18229 4068 1 7 . 1 1 25 25 ALA N N 25 120.477 120.477 121.953 -1.476 18229 4069 1 7 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.292 0.223 18229 4070 1 7 . 1 1 25 25 ALA C C 25 175.878 175.878 176.739 -0.861 18229 4071 1 7 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.383 0.225 18229 4072 1 7 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.041 0.413 18229 4073 1 7 . 1 1 25 25 ALA H H 25 8.013 8.013 8.257 -0.244 18229 4074 1 7 . 1 1 26 26 GLU N N 26 115.417 115.417 114.381 1.036 18229 4075 1 7 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.083 -0.012 18229 4076 1 7 . 1 1 26 26 GLU C C 26 174.599 174.599 174.290 0.309 18229 4077 1 7 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.614 -1.627 18229 4078 1 7 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.717 1.548 18229 4079 1 7 . 1 1 26 26 GLU H H 26 7.821 7.821 7.932 -0.111 18229 4080 1 7 . 1 1 27 27 LEU N N 27 124.622 124.622 121.851 2.771 18229 4081 1 7 . 1 1 27 27 LEU HA H 27 5.038 5.038 4.854 0.184 18229 4082 1 7 . 1 1 27 27 LEU C C 27 174.704 174.704 174.960 -0.256 18229 4083 1 7 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.615 0.142 18229 4084 1 7 . 1 1 27 27 LEU CB C 27 45.646 45.646 45.583 0.063 18229 4085 1 7 . 1 1 27 27 LEU H H 27 8.863 8.863 9.084 -0.221 18229 4086 1 7 . 1 1 28 28 THR N N 28 121.755 121.755 118.976 2.779 18229 4087 1 7 . 1 1 28 28 THR HA H 28 5.152 5.152 4.835 0.317 18229 4088 1 7 . 1 1 28 28 THR C C 28 172.573 172.573 173.173 -0.600 18229 4089 1 7 . 1 1 28 28 THR CA C 28 61.452 61.452 61.552 -0.100 18229 4090 1 7 . 1 1 28 28 THR CB C 28 71.480 71.480 69.008 2.472 18229 4091 1 7 . 1 1 28 28 THR H H 28 9.276 9.276 8.312 0.964 18229 4092 1 7 . 1 1 29 29 TRP N N 29 128.764 128.764 130.901 -2.137 18229 4093 1 7 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.163 0.285 18229 4094 1 7 . 1 1 29 29 TRP C C 29 173.881 173.881 174.287 -0.406 18229 4095 1 7 . 1 1 29 29 TRP CA C 29 55.790 55.790 55.974 -0.184 18229 4096 1 7 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.238 1.092 18229 4097 1 7 . 1 1 29 29 TRP H H 29 9.383 9.383 9.538 -0.155 18229 4098 1 7 . 1 1 30 30 ARG N N 30 126.417 126.417 127.719 -1.302 18229 4099 1 7 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.793 0.014 18229 4100 1 7 . 1 1 30 30 ARG C C 30 174.712 174.712 175.585 -0.873 18229 4101 1 7 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.283 0.185 18229 4102 1 7 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.829 0.989 18229 4103 1 7 . 1 1 30 30 ARG H H 30 7.579 7.579 9.006 -1.427 18229 4104 1 7 . 1 1 31 31 SER N N 31 118.415 118.415 119.700 -1.285 18229 4105 1 7 . 1 1 31 31 SER HA H 31 4.480 4.480 3.761 0.719 18229 4106 1 7 . 1 1 31 31 SER C C 31 176.360 176.360 175.232 1.128 18229 4107 1 7 . 1 1 31 31 SER CA C 31 58.070 58.070 60.324 -2.254 18229 4108 1 7 . 1 1 31 31 SER CB C 31 64.272 64.272 63.735 0.537 18229 4109 1 7 . 1 1 31 31 SER H H 31 8.078 8.078 8.687 -0.609 18229 4110 1 7 . 1 1 32 32 THR N N 32 119.175 119.175 117.743 1.432 18229 4111 1 7 . 1 1 32 32 THR HA H 32 3.847 3.847 4.100 -0.253 18229 4112 1 7 . 1 1 32 32 THR C C 32 175.602 175.602 175.504 0.098 18229 4113 1 7 . 1 1 32 32 THR CA C 32 66.265 66.265 65.734 0.531 18229 4114 1 7 . 1 1 32 32 THR CB C 32 68.557 68.557 69.053 -0.496 18229 4115 1 7 . 1 1 32 32 THR H H 32 8.520 8.520 8.573 -0.053 18229 4116 1 7 . 1 1 33 33 ASP N N 33 117.286 117.286 120.051 -2.765 18229 4117 1 7 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.638 -0.021 18229 4118 1 7 . 1 1 33 33 ASP C C 33 177.056 177.056 176.633 0.423 18229 4119 1 7 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.972 -0.747 18229 4120 1 7 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.163 -0.285 18229 4121 1 7 . 1 1 33 33 ASP H H 33 8.223 8.223 8.431 -0.208 18229 4122 1 7 . 1 1 34 34 GLY N N 34 109.197 109.197 106.640 2.557 18229 4123 1 7 . 1 1 34 34 GLY C C 34 173.762 173.762 174.310 -0.548 18229 4124 1 7 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.344 0.054 18229 4125 1 7 . 1 1 34 34 GLY H H 34 7.914 7.914 8.040 -0.126 18229 4126 1 7 . 1 1 35 35 ASP N N 35 118.081 118.081 119.391 -1.310 18229 4127 1 7 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.685 -0.166 18229 4128 1 7 . 1 1 35 35 ASP C C 35 175.366 175.366 176.360 -0.994 18229 4129 1 7 . 1 1 35 35 ASP CA C 35 54.860 54.860 54.621 0.239 18229 4130 1 7 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.110 -0.137 18229 4131 1 7 . 1 1 35 35 ASP H H 35 8.238 8.238 8.521 -0.283 18229 4132 1 7 . 1 1 36 36 LYS N N 36 120.362 120.362 116.102 4.260 18229 4133 1 7 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.472 0.362 18229 4134 1 7 . 1 1 36 36 LYS C C 36 174.568 174.568 173.764 0.804 18229 4135 1 7 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.485 0.051 18229 4136 1 7 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.017 0.762 18229 4137 1 7 . 1 1 36 36 LYS H H 36 7.749 7.749 7.785 -0.036 18229 4138 1 7 . 1 1 37 37 VAL N N 37 121.758 121.758 119.932 1.826 18229 4139 1 7 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.271 -0.000 18229 4140 1 7 . 1 1 37 37 VAL C C 37 175.209 175.209 174.305 0.904 18229 4141 1 7 . 1 1 37 37 VAL CA C 37 60.263 60.263 61.052 -0.789 18229 4142 1 7 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.362 0.621 18229 4143 1 7 . 1 1 37 37 VAL H H 37 8.526 8.526 8.565 -0.039 18229 4144 1 7 . 1 1 38 38 HIS N N 38 126.087 126.087 128.570 -2.483 18229 4145 1 7 . 1 1 38 38 HIS HA H 38 5.021 5.021 5.012 0.009 18229 4146 1 7 . 1 1 38 38 HIS C C 38 173.116 173.116 174.368 -1.252 18229 4147 1 7 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.725 1.083 18229 4148 1 7 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.545 0.438 18229 4149 1 7 . 1 1 38 38 HIS H H 38 9.633 9.633 9.757 -0.124 18229 4150 1 7 . 1 1 39 39 THR N N 39 124.455 124.455 120.108 4.347 18229 4151 1 7 . 1 1 39 39 THR HA H 39 5.155 5.155 5.152 0.003 18229 4152 1 7 . 1 1 39 39 THR C C 39 173.102 173.102 173.613 -0.511 18229 4153 1 7 . 1 1 39 39 THR CA C 39 61.637 61.637 61.118 0.519 18229 4154 1 7 . 1 1 39 39 THR CB C 39 70.716 70.716 69.833 0.883 18229 4155 1 7 . 1 1 39 39 THR H H 39 8.415 8.415 8.491 -0.076 18229 4156 1 7 . 1 1 40 40 VAL N N 40 126.066 126.066 123.031 3.035 18229 4157 1 7 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.121 -0.168 18229 4158 1 7 . 1 1 40 40 VAL C C 40 174.693 174.693 173.818 0.875 18229 4159 1 7 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.587 -0.239 18229 4160 1 7 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.661 -1.387 18229 4161 1 7 . 1 1 40 40 VAL H H 40 9.387 9.387 9.122 0.265 18229 4162 1 7 . 1 1 41 41 VAL N N 41 129.775 129.775 128.802 0.973 18229 4163 1 7 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.380 -0.392 18229 4164 1 7 . 1 1 41 41 VAL C C 41 179.424 179.424 176.514 2.910 18229 4165 1 7 . 1 1 41 41 VAL CA C 41 63.744 63.744 61.273 2.471 18229 4166 1 7 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.118 -0.167 18229 4167 1 7 . 1 1 41 41 VAL H H 41 9.021 9.021 8.786 0.235 18229 4168 1 7 . 1 1 42 42 LEU N N 42 129.645 129.645 127.942 1.703 18229 4169 1 7 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.061 -0.088 18229 4170 1 7 . 1 1 42 42 LEU C C 42 176.259 176.259 177.875 -1.616 18229 4171 1 7 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.550 1.093 18229 4172 1 7 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.343 -0.515 18229 4173 1 7 . 1 1 42 42 LEU H H 42 9.147 9.147 8.708 0.439 18229 4174 1 7 . 1 1 43 43 SER N N 43 110.158 110.158 111.304 -1.146 18229 4175 1 7 . 1 1 43 43 SER HA H 43 4.310 4.310 4.105 0.205 18229 4176 1 7 . 1 1 43 43 SER C C 43 175.263 175.263 175.759 -0.496 18229 4177 1 7 . 1 1 43 43 SER CA C 43 59.620 59.620 60.693 -1.073 18229 4178 1 7 . 1 1 43 43 SER CB C 43 61.543 61.543 63.352 -1.809 18229 4179 1 7 . 1 1 43 43 SER H H 43 7.006 7.006 8.259 -1.253 18229 4180 1 7 . 1 1 44 44 THR N N 44 110.206 110.206 113.472 -3.266 18229 4181 1 7 . 1 1 44 44 THR HA H 44 4.504 4.504 4.149 0.355 18229 4182 1 7 . 1 1 44 44 THR C C 44 173.489 173.489 175.650 -2.161 18229 4183 1 7 . 1 1 44 44 THR CA C 44 62.024 62.024 64.345 -2.321 18229 4184 1 7 . 1 1 44 44 THR CB C 44 69.805 69.805 69.125 0.680 18229 4185 1 7 . 1 1 44 44 THR H H 44 7.571 7.571 7.722 -0.151 18229 4186 1 7 . 1 1 45 45 ILE N N 45 120.322 120.322 124.363 -4.041 18229 4187 1 7 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.207 0.060 18229 4188 1 7 . 1 1 45 45 ILE C C 45 174.103 174.103 176.222 -2.119 18229 4189 1 7 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.794 -3.824 18229 4190 1 7 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.762 0.798 18229 4191 1 7 . 1 1 45 45 ILE H H 45 6.975 6.975 8.098 -1.123 18229 4192 1 7 . 1 1 46 46 ASP N N 46 126.492 126.492 127.690 -1.198 18229 4193 1 7 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.336 0.375 18229 4194 1 7 . 1 1 46 46 ASP C C 46 175.431 175.431 175.866 -0.435 18229 4195 1 7 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.489 -1.655 18229 4196 1 7 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.647 2.888 18229 4197 1 7 . 1 1 46 46 ASP H H 46 9.262 9.262 8.580 0.682 18229 4198 1 7 . 1 1 47 47 LYS N N 47 112.726 112.726 114.937 -2.211 18229 4199 1 7 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.543 0.164 18229 4200 1 7 . 1 1 47 47 LYS C C 47 172.673 172.673 174.183 -1.510 18229 4201 1 7 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.249 -0.429 18229 4202 1 7 . 1 1 47 47 LYS CB C 47 36.609 36.609 36.109 0.500 18229 4203 1 7 . 1 1 47 47 LYS H H 47 7.572 7.572 7.335 0.237 18229 4204 1 7 . 1 1 48 48 LEU N N 48 124.840 124.840 122.527 2.313 18229 4205 1 7 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.748 0.303 18229 4206 1 7 . 1 1 48 48 LEU C C 48 173.965 173.965 175.681 -1.716 18229 4207 1 7 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.214 -1.194 18229 4208 1 7 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.596 1.968 18229 4209 1 7 . 1 1 48 48 LEU H H 48 9.013 9.013 8.547 0.466 18229 4210 1 7 . 1 1 49 49 GLN N N 49 121.648 121.648 125.750 -4.102 18229 4211 1 7 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.774 0.744 18229 4212 1 7 . 1 1 49 49 GLN C C 49 174.700 174.700 173.847 0.853 18229 4213 1 7 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.695 -1.096 18229 4214 1 7 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.270 0.756 18229 4215 1 7 . 1 1 49 49 GLN H H 49 9.260 9.260 9.456 -0.196 18229 4216 1 7 . 1 1 50 50 ALA N N 50 122.020 122.020 125.164 -3.144 18229 4217 1 7 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.236 0.511 18229 4218 1 7 . 1 1 50 50 ALA C C 50 177.167 177.167 176.874 0.293 18229 4219 1 7 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.108 -0.516 18229 4220 1 7 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.413 1.950 18229 4221 1 7 . 1 1 50 50 ALA H H 50 9.286 9.286 8.433 0.853 18229 4222 1 7 . 1 1 51 51 THR N N 51 114.222 114.222 115.398 -1.176 18229 4223 1 7 . 1 1 51 51 THR HA H 51 4.735 4.735 4.421 0.314 18229 4224 1 7 . 1 1 51 51 THR CA C 51 59.228 59.228 60.714 -1.486 18229 4225 1 7 . 1 1 51 51 THR CB C 51 67.954 67.954 68.012 -0.058 18229 4226 1 7 . 1 1 51 51 THR H H 51 8.340 8.340 8.959 -0.619 18229 4227 1 7 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.524 0.046 18229 4228 1 7 . 1 1 52 52 PRO C C 52 178.621 178.621 177.482 1.139 18229 4229 1 7 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.188 0.240 18229 4230 1 7 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.795 -0.076 18229 4231 1 7 . 1 1 53 53 ALA N N 53 126.566 126.566 122.614 3.952 18229 4232 1 7 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.129 -0.074 18229 4233 1 7 . 1 1 53 53 ALA C C 53 177.578 177.578 178.898 -1.320 18229 4234 1 7 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.438 0.383 18229 4235 1 7 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.590 -0.733 18229 4236 1 7 . 1 1 53 53 ALA H H 53 9.109 9.109 8.467 0.642 18229 4237 1 7 . 1 1 54 54 SER N N 54 107.184 107.184 111.422 -4.238 18229 4238 1 7 . 1 1 54 54 SER HA H 54 4.235 4.235 4.355 -0.120 18229 4239 1 7 . 1 1 54 54 SER C C 54 174.838 174.838 174.328 0.510 18229 4240 1 7 . 1 1 54 54 SER CA C 54 58.116 58.116 59.279 -1.163 18229 4241 1 7 . 1 1 54 54 SER CB C 54 63.021 63.021 63.216 -0.195 18229 4242 1 7 . 1 1 54 54 SER H H 54 7.595 7.595 8.022 -0.427 18229 4243 1 7 . 1 1 55 55 SER N N 55 117.098 117.098 117.456 -0.358 18229 4244 1 7 . 1 1 55 55 SER HA H 55 4.484 4.484 4.396 0.088 18229 4245 1 7 . 1 1 55 55 SER C C 55 174.833 174.833 175.148 -0.315 18229 4246 1 7 . 1 1 55 55 SER CA C 55 57.510 57.510 58.066 -0.556 18229 4247 1 7 . 1 1 55 55 SER CB C 55 64.121 64.121 63.763 0.358 18229 4248 1 7 . 1 1 55 55 SER H H 55 7.613 7.613 7.466 0.147 18229 4249 1 7 . 1 1 56 56 GLU N N 56 125.258 125.258 126.903 -1.645 18229 4250 1 7 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.112 0.017 18229 4251 1 7 . 1 1 56 56 GLU C C 56 177.852 177.852 176.844 1.008 18229 4252 1 7 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.384 -0.772 18229 4253 1 7 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.634 -0.210 18229 4254 1 7 . 1 1 56 56 GLU H H 56 8.849 8.849 8.896 -0.047 18229 4255 1 7 . 1 1 57 57 LYS N N 57 119.058 119.058 115.995 3.063 18229 4256 1 7 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.723 -0.424 18229 4257 1 7 . 1 1 57 57 LYS C C 57 175.699 175.699 175.427 0.272 18229 4258 1 7 . 1 1 57 57 LYS CA C 57 55.645 55.645 53.953 1.692 18229 4259 1 7 . 1 1 57 57 LYS CB C 57 33.270 33.270 34.823 -1.553 18229 4260 1 7 . 1 1 57 57 LYS H H 57 8.060 8.060 7.548 0.512 18229 4261 1 7 . 1 1 58 58 MET N N 58 123.967 123.967 117.146 6.821 18229 4262 1 7 . 1 1 58 58 MET HA H 58 4.345 4.345 5.058 -0.713 18229 4263 1 7 . 1 1 58 58 MET C C 58 174.213 174.213 174.596 -0.383 18229 4264 1 7 . 1 1 58 58 MET CA C 58 55.170 55.170 54.363 0.807 18229 4265 1 7 . 1 1 58 58 MET CB C 58 35.330 35.330 35.195 0.135 18229 4266 1 7 . 1 1 58 58 MET H H 58 8.828 8.828 8.662 0.166 18229 4267 1 7 . 1 1 59 59 MET N N 59 120.929 120.929 124.002 -3.073 18229 4268 1 7 . 1 1 59 59 MET HA H 59 5.905 5.905 5.217 0.688 18229 4269 1 7 . 1 1 59 59 MET C C 59 174.521 174.521 173.465 1.056 18229 4270 1 7 . 1 1 59 59 MET CA C 59 55.038 55.038 55.646 -0.608 18229 4271 1 7 . 1 1 59 59 MET CB C 59 39.549 39.549 37.423 2.126 18229 4272 1 7 . 1 1 59 59 MET H H 59 8.528 8.528 9.514 -0.986 18229 4273 1 7 . 1 1 60 60 LEU N N 60 117.623 117.623 124.208 -6.585 18229 4274 1 7 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.213 0.452 18229 4275 1 7 . 1 1 60 60 LEU C C 60 175.763 175.763 175.118 0.645 18229 4276 1 7 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.852 -0.667 18229 4277 1 7 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.860 1.701 18229 4278 1 7 . 1 1 60 60 LEU H H 60 9.052 9.052 9.721 -0.669 18229 4279 1 7 . 1 1 61 61 ARG N N 61 120.407 120.407 121.184 -0.777 18229 4280 1 7 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.764 -0.293 18229 4281 1 7 . 1 1 61 61 ARG C C 61 173.286 173.286 173.879 -0.593 18229 4282 1 7 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.801 0.130 18229 4283 1 7 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.498 -0.163 18229 4284 1 7 . 1 1 61 61 ARG H H 61 9.180 9.180 9.589 -0.409 18229 4285 1 7 . 1 1 62 62 LEU N N 62 126.471 126.471 125.418 1.053 18229 4286 1 7 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.239 -0.041 18229 4287 1 7 . 1 1 62 62 LEU C C 62 175.447 175.447 176.093 -0.646 18229 4288 1 7 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.295 0.113 18229 4289 1 7 . 1 1 62 62 LEU CB C 62 43.433 43.433 45.071 -1.638 18229 4290 1 7 . 1 1 62 62 LEU H H 62 9.203 9.203 9.180 0.023 18229 4291 1 7 . 1 1 63 63 ILE N N 63 123.282 123.282 123.242 0.040 18229 4292 1 7 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.267 0.430 18229 4293 1 7 . 1 1 63 63 ILE C C 63 176.525 176.525 176.852 -0.327 18229 4294 1 7 . 1 1 63 63 ILE CA C 63 59.676 59.676 60.163 -0.487 18229 4295 1 7 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.199 0.506 18229 4296 1 7 . 1 1 63 63 ILE H H 63 8.983 8.983 9.005 -0.022 18229 4297 1 7 . 1 1 64 64 GLY N N 64 115.647 115.647 110.979 4.668 18229 4298 1 7 . 1 1 64 64 GLY C C 64 172.300 172.300 172.958 -0.658 18229 4299 1 7 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.764 1.899 18229 4300 1 7 . 1 1 64 64 GLY H H 64 9.372 9.372 8.823 0.549 18229 4301 1 7 . 1 1 65 65 LYS N N 65 119.107 119.107 123.400 -4.293 18229 4302 1 7 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.167 0.139 18229 4303 1 7 . 1 1 65 65 LYS C C 65 177.404 177.404 175.988 1.416 18229 4304 1 7 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.303 -0.802 18229 4305 1 7 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.858 1.560 18229 4306 1 7 . 1 1 65 65 LYS H H 65 8.289 8.289 7.984 0.305 18229 4307 1 7 . 1 1 66 66 VAL N N 66 122.231 122.231 123.421 -1.190 18229 4308 1 7 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.114 -0.035 18229 4309 1 7 . 1 1 66 66 VAL C C 66 175.253 175.253 176.069 -0.816 18229 4310 1 7 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.608 0.528 18229 4311 1 7 . 1 1 66 66 VAL CB C 66 33.284 33.284 34.411 -1.127 18229 4312 1 7 . 1 1 66 66 VAL H H 66 8.607 8.607 8.282 0.325 18229 4313 1 7 . 1 1 67 67 ASP N N 67 125.538 125.538 125.263 0.275 18229 4314 1 7 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.974 -0.275 18229 4315 1 7 . 1 1 67 67 ASP C C 67 176.601 176.601 176.435 0.166 18229 4316 1 7 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.981 -0.923 18229 4317 1 7 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.816 0.056 18229 4318 1 7 . 1 1 67 67 ASP H H 67 8.457 8.457 8.830 -0.373 18229 4319 1 7 . 1 1 68 68 GLU N N 68 124.433 124.433 118.839 5.594 18229 4320 1 7 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.119 0.005 18229 4321 1 7 . 1 1 68 68 GLU C C 68 177.344 177.344 177.156 0.188 18229 4322 1 7 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.929 -1.294 18229 4323 1 7 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.259 0.421 18229 4324 1 7 . 1 1 68 68 GLU H H 68 8.712 8.712 8.245 0.467 18229 4325 1 7 . 1 1 69 69 SER N N 69 115.596 115.596 113.219 2.377 18229 4326 1 7 . 1 1 69 69 SER HA H 69 4.328 4.328 4.343 -0.016 18229 4327 1 7 . 1 1 69 69 SER C C 69 175.180 175.180 175.239 -0.059 18229 4328 1 7 . 1 1 69 69 SER CA C 69 60.146 60.146 59.565 0.581 18229 4329 1 7 . 1 1 69 69 SER CB C 69 63.383 63.383 63.171 0.212 18229 4330 1 7 . 1 1 69 69 SER H H 69 8.467 8.467 8.039 0.428 18229 4331 1 7 . 1 1 70 70 LYS N N 70 121.738 121.738 120.432 1.306 18229 4332 1 7 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.259 0.147 18229 4333 1 7 . 1 1 70 70 LYS C C 70 176.165 176.165 176.557 -0.392 18229 4334 1 7 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.457 -1.047 18229 4335 1 7 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.135 -0.635 18229 4336 1 7 . 1 1 70 70 LYS H H 70 7.675 7.675 7.301 0.374 18229 4337 1 7 . 1 1 71 71 LYS N N 71 121.087 121.087 118.556 2.531 18229 4338 1 7 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.086 0.322 18229 4339 1 7 . 1 1 71 71 LYS C C 71 176.134 176.134 176.320 -0.186 18229 4340 1 7 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.903 -0.298 18229 4341 1 7 . 1 1 71 71 LYS CB C 71 33.283 33.283 30.746 2.537 18229 4342 1 7 . 1 1 71 71 LYS H H 71 7.739 7.739 8.057 -0.318 18229 4343 1 7 . 1 1 72 72 ARG N N 72 122.147 122.147 121.041 1.106 18229 4344 1 7 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.200 0.384 18229 4345 1 7 . 1 1 72 72 ARG C C 72 175.217 175.217 176.285 -1.068 18229 4346 1 7 . 1 1 72 72 ARG CA C 72 55.041 55.041 57.079 -2.038 18229 4347 1 7 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.553 0.801 18229 4348 1 7 . 1 1 72 72 ARG H H 72 8.402 8.402 8.490 -0.088 18229 4349 1 7 . 1 1 73 73 LYS N N 73 121.242 121.242 118.971 2.271 18229 4350 1 7 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.474 0.425 18229 4351 1 7 . 1 1 73 73 LYS C C 73 176.966 176.966 175.068 1.898 18229 4352 1 7 . 1 1 73 73 LYS CA C 73 55.365 55.365 55.318 0.047 18229 4353 1 7 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.850 -0.219 18229 4354 1 7 . 1 1 73 73 LYS H H 73 8.386 8.386 8.141 0.245 18229 4355 1 7 . 1 1 74 74 ASP N N 74 122.007 122.007 120.309 1.698 18229 4356 1 7 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.699 -0.048 18229 4357 1 7 . 1 1 74 74 ASP C C 74 177.401 177.401 176.193 1.208 18229 4358 1 7 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.092 -2.252 18229 4359 1 7 . 1 1 74 74 ASP CB C 74 41.008 41.008 42.359 -1.351 18229 4360 1 7 . 1 1 74 74 ASP H H 74 8.559 8.559 8.610 -0.051 18229 4361 1 7 . 1 1 75 75 ASN N N 75 116.263 116.263 117.100 -0.837 18229 4362 1 7 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.706 -0.171 18229 4363 1 7 . 1 1 75 75 ASN C C 75 175.944 175.944 174.436 1.508 18229 4364 1 7 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.409 1.468 18229 4365 1 7 . 1 1 75 75 ASN CB C 75 38.110 38.110 39.271 -1.161 18229 4366 1 7 . 1 1 75 75 ASN H H 75 8.414 8.414 8.031 0.383 18229 4367 1 7 . 1 1 76 76 GLU N N 76 118.940 118.940 121.830 -2.890 18229 4368 1 7 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.478 -0.085 18229 4369 1 7 . 1 1 76 76 GLU C C 76 176.512 176.512 176.667 -0.155 18229 4370 1 7 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.867 0.299 18229 4371 1 7 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.669 0.341 18229 4372 1 7 . 1 1 76 76 GLU H H 76 8.133 8.133 8.453 -0.320 18229 4373 1 7 . 1 1 77 77 GLY N N 77 108.056 108.056 108.154 -0.098 18229 4374 1 7 . 1 1 77 77 GLY C C 77 174.193 174.193 174.246 -0.053 18229 4375 1 7 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.413 -0.126 18229 4376 1 7 . 1 1 77 77 GLY H H 77 8.083 8.083 8.135 -0.052 18229 4377 1 7 . 1 1 78 78 ASN N N 78 119.896 119.896 118.384 1.512 18229 4378 1 7 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.563 0.179 18229 4379 1 7 . 1 1 78 78 ASN C C 78 175.006 175.006 174.857 0.149 18229 4380 1 7 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.810 -0.983 18229 4381 1 7 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.150 -0.154 18229 4382 1 7 . 1 1 78 78 ASN H H 78 8.537 8.537 8.149 0.388 18229 4383 1 7 . 1 1 79 79 GLU N N 79 121.648 121.648 117.289 4.359 18229 4384 1 7 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.948 -0.477 18229 4385 1 7 . 1 1 79 79 GLU C C 79 176.268 176.268 175.162 1.106 18229 4386 1 7 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.604 1.006 18229 4387 1 7 . 1 1 79 79 GLU CB C 79 30.307 30.307 33.121 -2.814 18229 4388 1 7 . 1 1 79 79 GLU H H 79 8.674 8.674 8.428 0.246 18229 4389 1 7 . 1 1 80 80 VAL N N 80 124.083 124.083 123.257 0.826 18229 4390 1 7 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.417 -0.169 18229 4391 1 7 . 1 1 80 80 VAL C C 80 175.537 175.537 174.527 1.010 18229 4392 1 7 . 1 1 80 80 VAL CA C 80 61.465 61.465 60.971 0.493 18229 4393 1 7 . 1 1 80 80 VAL CB C 80 33.553 33.553 34.712 -1.159 18229 4394 1 7 . 1 1 80 80 VAL H H 80 8.554 8.554 9.146 -0.592 18229 4395 1 7 . 1 1 81 81 VAL N N 81 126.640 126.640 124.537 2.103 18229 4396 1 7 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.471 -0.044 18229 4397 1 7 . 1 1 81 81 VAL CA C 81 59.605 59.605 58.395 1.210 18229 4398 1 7 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.185 1.691 18229 4399 1 7 . 1 1 81 81 VAL H H 81 8.390 8.390 8.517 -0.127 18229 4400 1 7 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.314 0.113 18229 4401 1 7 . 1 1 82 82 PRO C C 82 176.034 176.034 176.692 -0.658 18229 4402 1 7 . 1 1 82 82 PRO CA C 82 62.710 62.710 62.993 -0.283 18229 4403 1 7 . 1 1 82 82 PRO CB C 82 32.352 32.352 31.961 0.391 18229 4404 1 7 . 1 1 83 83 LYS N N 83 121.719 121.719 122.873 -1.154 18229 4405 1 7 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.260 0.288 18229 4406 1 7 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.633 -1.777 18229 4407 1 7 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.647 0.683 18229 4408 1 7 . 1 1 83 83 LYS H H 83 8.308 8.308 8.167 0.141 18229 4409 1 7 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.450 -0.154 18229 4410 1 7 . 1 1 84 84 PRO C C 84 176.773 176.773 176.796 -0.023 18229 4411 1 7 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.558 -0.002 18229 4412 1 7 . 1 1 84 84 PRO CB C 84 32.618 32.618 31.570 1.048 18229 4413 1 7 . 1 1 85 85 GLN N N 85 121.395 121.395 123.192 -1.797 18229 4414 1 7 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.161 -0.020 18229 4415 1 7 . 1 1 85 85 GLN C C 85 174.940 174.940 175.085 -0.145 18229 4416 1 7 . 1 1 85 85 GLN CA C 85 56.062 56.062 56.158 -0.097 18229 4417 1 7 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.692 0.038 18229 4418 1 7 . 1 1 85 85 GLN H H 85 8.464 8.464 8.415 0.049 18229 4419 1 7 . 1 1 86 86 ARG N N 86 121.035 121.035 119.485 1.550 18229 4420 1 7 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.812 0.315 18229 4421 1 7 . 1 1 86 86 ARG C C 86 175.052 175.052 175.208 -0.156 18229 4422 1 7 . 1 1 86 86 ARG CA C 86 54.534 54.534 55.261 -0.728 18229 4423 1 7 . 1 1 86 86 ARG CB C 86 33.333 33.333 34.348 -1.015 18229 4424 1 7 . 1 1 86 86 ARG H H 86 8.248 8.248 8.440 -0.192 18229 4425 1 7 . 1 1 87 87 HIS N N 87 120.780 120.780 121.939 -1.159 18229 4426 1 7 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.712 -0.030 18229 4427 1 7 . 1 1 87 87 HIS C C 87 173.558 173.558 173.769 -0.211 18229 4428 1 7 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.807 -0.615 18229 4429 1 7 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.709 2.345 18229 4430 1 7 . 1 1 87 87 HIS H H 87 8.659 8.659 9.102 -0.443 18229 4431 1 7 . 1 1 88 88 MET N N 88 126.780 126.780 124.029 2.751 18229 4432 1 7 . 1 1 88 88 MET HA H 88 5.283 5.283 4.555 0.728 18229 4433 1 7 . 1 1 88 88 MET C C 88 173.297 173.297 173.919 -0.622 18229 4434 1 7 . 1 1 88 88 MET CA C 88 54.835 54.835 54.986 -0.151 18229 4435 1 7 . 1 1 88 88 MET CB C 88 35.794 35.794 34.172 1.622 18229 4436 1 7 . 1 1 88 88 MET H H 88 8.710 8.710 8.655 0.055 18229 4437 1 7 . 1 1 89 89 PHE N N 89 122.543 122.543 124.351 -1.808 18229 4438 1 7 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.541 -0.346 18229 4439 1 7 . 1 1 89 89 PHE C C 89 174.410 174.410 174.984 -0.574 18229 4440 1 7 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.714 0.665 18229 4441 1 7 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.264 2.925 18229 4442 1 7 . 1 1 89 89 PHE H H 89 8.969 8.969 9.632 -0.663 18229 4443 1 7 . 1 1 90 90 SER N N 90 116.192 116.192 120.528 -4.336 18229 4444 1 7 . 1 1 90 90 SER HA H 90 5.696 5.696 4.913 0.783 18229 4445 1 7 . 1 1 90 90 SER C C 90 173.030 173.030 173.982 -0.952 18229 4446 1 7 . 1 1 90 90 SER CA C 90 56.771 56.771 58.014 -1.243 18229 4447 1 7 . 1 1 90 90 SER CB C 90 64.961 64.961 63.736 1.225 18229 4448 1 7 . 1 1 90 90 SER H H 90 8.657 8.657 8.652 0.005 18229 4449 1 7 . 1 1 91 91 PHE N N 91 120.710 120.710 124.883 -4.173 18229 4450 1 7 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.648 0.239 18229 4451 1 7 . 1 1 91 91 PHE C C 91 174.442 174.442 175.873 -1.431 18229 4452 1 7 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.343 -0.918 18229 4453 1 7 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.871 2.521 18229 4454 1 7 . 1 1 91 91 PHE H H 91 9.001 9.001 8.359 0.642 18229 4455 1 7 . 1 1 92 92 ASN N N 92 115.967 115.967 117.817 -1.850 18229 4456 1 7 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.883 0.224 18229 4457 1 7 . 1 1 92 92 ASN C C 92 174.835 174.835 173.861 0.974 18229 4458 1 7 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.407 -0.156 18229 4459 1 7 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.513 0.376 18229 4460 1 7 . 1 1 92 92 ASN H H 92 9.093 9.093 9.067 0.026 18229 4461 1 7 . 1 1 93 93 ASN N N 93 118.401 118.401 115.698 2.703 18229 4462 1 7 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.822 0.100 18229 4463 1 7 . 1 1 93 93 ASN C C 93 174.524 174.524 174.266 0.258 18229 4464 1 7 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.583 -0.570 18229 4465 1 7 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.009 1.752 18229 4466 1 7 . 1 1 93 93 ASN H H 93 7.252 7.252 7.788 -0.536 18229 4467 1 7 . 1 1 94 94 ARG N N 94 129.175 129.175 124.792 4.383 18229 4468 1 7 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.027 -0.162 18229 4469 1 7 . 1 1 94 94 ARG C C 94 176.797 176.797 177.488 -0.691 18229 4470 1 7 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.240 0.243 18229 4471 1 7 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.319 -0.190 18229 4472 1 7 . 1 1 94 94 ARG H H 94 9.309 9.309 8.771 0.538 18229 4473 1 7 . 1 1 95 95 THR N N 95 115.594 115.594 113.556 2.038 18229 4474 1 7 . 1 1 95 95 THR HA H 95 4.021 4.021 4.100 -0.079 18229 4475 1 7 . 1 1 95 95 THR C C 95 176.735 176.735 175.936 0.799 18229 4476 1 7 . 1 1 95 95 THR CA C 95 66.430 66.430 66.427 0.003 18229 4477 1 7 . 1 1 95 95 THR CB C 95 68.357 68.357 68.535 -0.178 18229 4478 1 7 . 1 1 95 95 THR H H 95 7.973 7.973 8.157 -0.184 18229 4479 1 7 . 1 1 96 96 VAL N N 96 121.833 121.833 121.571 0.262 18229 4480 1 7 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.658 0.125 18229 4481 1 7 . 1 1 96 96 VAL C C 96 177.561 177.561 177.786 -0.225 18229 4482 1 7 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.301 -0.176 18229 4483 1 7 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.562 0.639 18229 4484 1 7 . 1 1 96 96 VAL H H 96 7.565 7.565 7.506 0.059 18229 4485 1 7 . 1 1 97 97 MET N N 97 117.429 117.429 117.839 -0.410 18229 4486 1 7 . 1 1 97 97 MET HA H 97 4.551 4.551 3.422 1.129 18229 4487 1 7 . 1 1 97 97 MET C C 97 177.257 177.257 177.489 -0.232 18229 4488 1 7 . 1 1 97 97 MET CA C 97 59.753 59.753 58.368 1.385 18229 4489 1 7 . 1 1 97 97 MET CB C 97 32.515 32.515 31.421 1.094 18229 4490 1 7 . 1 1 97 97 MET H H 97 7.336 7.336 8.121 -0.785 18229 4491 1 7 . 1 1 98 98 ASP N N 98 118.159 118.159 120.255 -2.096 18229 4492 1 7 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.301 0.014 18229 4493 1 7 . 1 1 98 98 ASP C C 98 178.771 178.771 178.475 0.296 18229 4494 1 7 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.486 0.118 18229 4495 1 7 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.441 -0.777 18229 4496 1 7 . 1 1 98 98 ASP H H 98 8.712 8.712 8.047 0.665 18229 4497 1 7 . 1 1 99 99 ASN N N 99 120.354 120.354 116.747 3.607 18229 4498 1 7 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.561 -0.081 18229 4499 1 7 . 1 1 99 99 ASN C C 99 178.232 178.232 176.908 1.324 18229 4500 1 7 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.015 1.285 18229 4501 1 7 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.663 -0.215 18229 4502 1 7 . 1 1 99 99 ASN H H 99 8.084 8.084 7.576 0.508 18229 4503 1 7 . 1 1 100 100 ILE N N 100 120.990 120.990 122.367 -1.377 18229 4504 1 7 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.909 -0.272 18229 4505 1 7 . 1 1 100 100 ILE C C 100 177.463 177.463 177.723 -0.260 18229 4506 1 7 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.833 -1.060 18229 4507 1 7 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.508 -2.041 18229 4508 1 7 . 1 1 100 100 ILE H H 100 8.017 8.017 8.329 -0.312 18229 4509 1 7 . 1 1 101 101 LYS N N 101 120.814 120.814 119.715 1.099 18229 4510 1 7 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.888 -0.253 18229 4511 1 7 . 1 1 101 101 LYS C C 101 177.365 177.365 179.098 -1.733 18229 4512 1 7 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.936 0.700 18229 4513 1 7 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.112 0.879 18229 4514 1 7 . 1 1 101 101 LYS H H 101 8.944 8.944 8.375 0.569 18229 4515 1 7 . 1 1 102 102 MET N N 102 116.514 116.514 116.291 0.223 18229 4516 1 7 . 1 1 102 102 MET HA H 102 4.209 4.209 4.333 -0.124 18229 4517 1 7 . 1 1 102 102 MET C C 102 178.925 178.925 178.195 0.730 18229 4518 1 7 . 1 1 102 102 MET CA C 102 58.720 58.720 58.521 0.199 18229 4519 1 7 . 1 1 102 102 MET CB C 102 32.299 32.299 32.759 -0.460 18229 4520 1 7 . 1 1 102 102 MET H H 102 8.123 8.123 7.585 0.538 18229 4521 1 7 . 1 1 103 103 THR N N 103 118.583 118.583 117.896 0.687 18229 4522 1 7 . 1 1 103 103 THR HA H 103 3.882 3.882 4.091 -0.209 18229 4523 1 7 . 1 1 103 103 THR C C 103 176.474 176.474 176.264 0.210 18229 4524 1 7 . 1 1 103 103 THR CA C 103 66.489 66.489 66.740 -0.251 18229 4525 1 7 . 1 1 103 103 THR CB C 103 67.864 67.864 69.063 -1.199 18229 4526 1 7 . 1 1 103 103 THR H H 103 7.768 7.768 7.887 -0.119 18229 4527 1 7 . 1 1 104 104 LEU N N 104 119.575 119.575 121.957 -2.382 18229 4528 1 7 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.921 -0.039 18229 4529 1 7 . 1 1 104 104 LEU C C 104 177.935 177.935 178.842 -0.907 18229 4530 1 7 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.631 -0.655 18229 4531 1 7 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.528 0.794 18229 4532 1 7 . 1 1 104 104 LEU H H 104 8.537 8.537 8.822 -0.285 18229 4533 1 7 . 1 1 105 105 GLN N N 105 119.463 119.463 117.265 2.198 18229 4534 1 7 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.912 -0.203 18229 4535 1 7 . 1 1 105 105 GLN C C 105 178.507 178.507 178.649 -0.142 18229 4536 1 7 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.658 1.082 18229 4537 1 7 . 1 1 105 105 GLN CB C 105 28.639 28.639 27.921 0.718 18229 4538 1 7 . 1 1 105 105 GLN H H 105 8.736 8.736 7.678 1.058 18229 4539 1 7 . 1 1 106 106 GLN N N 106 118.984 118.984 118.194 0.790 18229 4540 1 7 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.975 0.001 18229 4541 1 7 . 1 1 106 106 GLN C C 106 178.454 178.454 178.552 -0.098 18229 4542 1 7 . 1 1 106 106 GLN CA C 106 59.018 59.018 59.127 -0.109 18229 4543 1 7 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.703 -0.251 18229 4544 1 7 . 1 1 106 106 GLN H H 106 7.689 7.689 7.618 0.071 18229 4545 1 7 . 1 1 107 107 ILE N N 107 119.928 119.928 118.167 1.761 18229 4546 1 7 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.929 -0.466 18229 4547 1 7 . 1 1 107 107 ILE C C 107 177.492 177.492 178.392 -0.900 18229 4548 1 7 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.188 1.254 18229 4549 1 7 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.492 1.003 18229 4550 1 7 . 1 1 107 107 ILE H H 107 7.910 7.910 7.334 0.576 18229 4551 1 7 . 1 1 108 108 ILE N N 108 117.958 117.958 121.634 -3.676 18229 4552 1 7 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.528 2.231 18229 4553 1 7 . 1 1 108 108 ILE C C 108 178.625 178.625 177.737 0.888 18229 4554 1 7 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.716 0.863 18229 4555 1 7 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.506 1.746 18229 4556 1 7 . 1 1 108 108 ILE H H 108 8.767 8.767 8.258 0.509 18229 4557 1 7 . 1 1 109 109 SER N N 109 113.450 113.450 114.707 -1.257 18229 4558 1 7 . 1 1 109 109 SER HA H 109 4.271 4.271 3.956 0.315 18229 4559 1 7 . 1 1 109 109 SER C C 109 175.966 175.966 176.806 -0.840 18229 4560 1 7 . 1 1 109 109 SER CA C 109 62.205 62.205 61.573 0.632 18229 4561 1 7 . 1 1 109 109 SER CB C 109 63.094 63.094 62.355 0.739 18229 4562 1 7 . 1 1 109 109 SER H H 109 7.797 7.797 8.155 -0.358 18229 4563 1 7 . 1 1 110 110 ARG N N 110 120.739 120.739 121.279 -0.540 18229 4564 1 7 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.164 -0.045 18229 4565 1 7 . 1 1 110 110 ARG C C 110 179.056 179.056 179.255 -0.199 18229 4566 1 7 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.751 0.070 18229 4567 1 7 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.185 -0.386 18229 4568 1 7 . 1 1 110 110 ARG H H 110 7.450 7.450 8.120 -0.670 18229 4569 1 7 . 1 1 111 111 TYR N N 111 117.972 117.972 118.697 -0.725 18229 4570 1 7 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.346 0.360 18229 4571 1 7 . 1 1 111 111 TYR C C 111 177.853 177.853 177.891 -0.038 18229 4572 1 7 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.732 0.881 18229 4573 1 7 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.235 0.073 18229 4574 1 7 . 1 1 111 111 TYR H H 111 7.558 7.558 8.384 -0.826 18229 4575 1 7 . 1 1 112 112 LYS N N 112 120.615 120.615 118.610 2.005 18229 4576 1 7 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.170 0.211 18229 4577 1 7 . 1 1 112 112 LYS C C 112 177.893 177.893 177.832 0.061 18229 4578 1 7 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.593 -0.004 18229 4579 1 7 . 1 1 112 112 LYS CB C 112 32.603 32.603 31.990 0.613 18229 4580 1 7 . 1 1 112 112 LYS H H 112 8.080 8.080 7.511 0.569 18229 4581 1 7 . 1 1 113 113 ASP N N 113 120.325 120.325 120.003 0.322 18229 4582 1 7 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.476 0.168 18229 4583 1 7 . 1 1 113 113 ASP C C 113 176.950 176.950 177.248 -0.298 18229 4584 1 7 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.968 -0.705 18229 4585 1 7 . 1 1 113 113 ASP CB C 113 40.891 40.891 41.002 -0.111 18229 4586 1 7 . 1 1 113 113 ASP H H 113 8.191 8.191 8.271 -0.080 18229 4587 1 7 . 1 1 114 114 ALA N N 114 122.906 122.906 120.210 2.696 18229 4588 1 7 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.351 -0.003 18229 4589 1 7 . 1 1 114 114 ALA C C 114 178.055 178.055 177.829 0.226 18229 4590 1 7 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.063 1.111 18229 4591 1 7 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.564 -0.464 18229 4592 1 7 . 1 1 114 114 ALA H H 114 7.900 7.900 7.650 0.250 18229 4593 1 8 . 1 1 2 2 SER N N 2 113.055 113.055 116.308 -3.253 18229 4594 1 8 . 1 1 2 2 SER HA H 2 4.418 4.418 4.347 0.071 18229 4595 1 8 . 1 1 2 2 SER C C 2 174.994 174.994 175.017 -0.023 18229 4596 1 8 . 1 1 2 2 SER CA C 2 58.540 58.540 59.299 -0.759 18229 4597 1 8 . 1 1 2 2 SER CB C 2 63.748 63.748 63.783 -0.035 18229 4598 1 8 . 1 1 2 2 SER H H 2 8.061 8.061 8.173 -0.112 18229 4599 1 8 . 1 1 3 3 HIS N N 3 119.062 119.062 118.807 0.255 18229 4600 1 8 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.610 0.125 18229 4601 1 8 . 1 1 3 3 HIS C C 3 173.417 173.417 174.105 -0.688 18229 4602 1 8 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.790 -0.486 18229 4603 1 8 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.783 -0.236 18229 4604 1 8 . 1 1 3 3 HIS H H 3 8.410 8.410 8.309 0.101 18229 4605 1 8 . 1 1 4 4 SER N N 4 113.520 113.520 112.050 1.470 18229 4606 1 8 . 1 1 4 4 SER HA H 4 5.516 5.516 4.934 0.582 18229 4607 1 8 . 1 1 4 4 SER C C 4 173.602 173.602 172.862 0.740 18229 4608 1 8 . 1 1 4 4 SER CA C 4 57.005 57.005 57.304 -0.299 18229 4609 1 8 . 1 1 4 4 SER CB C 4 65.989 65.989 66.986 -0.997 18229 4610 1 8 . 1 1 4 4 SER H H 4 7.817 7.817 7.506 0.311 18229 4611 1 8 . 1 1 5 5 GLY N N 5 106.959 106.959 106.103 0.856 18229 4612 1 8 . 1 1 5 5 GLY C C 5 171.058 171.058 171.933 -0.875 18229 4613 1 8 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.749 -0.278 18229 4614 1 8 . 1 1 5 5 GLY H H 5 8.356 8.356 8.816 -0.460 18229 4615 1 8 . 1 1 6 6 ALA N N 6 125.264 125.264 123.569 1.695 18229 4616 1 8 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.530 0.431 18229 4617 1 8 . 1 1 6 6 ALA C C 6 176.831 176.831 175.773 1.058 18229 4618 1 8 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.618 1.127 18229 4619 1 8 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.191 -0.811 18229 4620 1 8 . 1 1 6 6 ALA H H 6 8.641 8.641 8.394 0.247 18229 4621 1 8 . 1 1 7 7 ALA N N 7 119.937 119.937 122.598 -2.661 18229 4622 1 8 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.535 0.120 18229 4623 1 8 . 1 1 7 7 ALA C C 7 176.683 176.683 175.667 1.016 18229 4624 1 8 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.744 1.001 18229 4625 1 8 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.485 1.552 18229 4626 1 8 . 1 1 7 7 ALA H H 7 8.370 8.370 7.777 0.593 18229 4627 1 8 . 1 1 8 8 ILE N N 8 125.430 125.430 119.650 5.780 18229 4628 1 8 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.264 -0.269 18229 4629 1 8 . 1 1 8 8 ILE C C 8 175.310 175.310 174.912 0.398 18229 4630 1 8 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.352 1.600 18229 4631 1 8 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.099 1.588 18229 4632 1 8 . 1 1 8 8 ILE H H 8 9.349 9.349 8.502 0.847 18229 4633 1 8 . 1 1 9 9 PHE N N 9 128.906 128.906 128.008 0.898 18229 4634 1 8 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.388 -0.096 18229 4635 1 8 . 1 1 9 9 PHE C C 9 173.925 173.925 174.625 -0.700 18229 4636 1 8 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.293 0.978 18229 4637 1 8 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.919 -0.352 18229 4638 1 8 . 1 1 9 9 PHE H H 9 8.450 8.450 8.652 -0.202 18229 4639 1 8 . 1 1 10 10 GLU N N 10 126.509 126.509 127.677 -1.168 18229 4640 1 8 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.768 -0.564 18229 4641 1 8 . 1 1 10 10 GLU C C 10 175.157 175.157 175.900 -0.743 18229 4642 1 8 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.889 -0.110 18229 4643 1 8 . 1 1 10 10 GLU CB C 10 26.449 26.449 28.281 -1.832 18229 4644 1 8 . 1 1 10 10 GLU H H 10 8.749 8.749 8.790 -0.041 18229 4645 1 8 . 1 1 11 11 LYS N N 11 105.729 105.729 112.643 -6.914 18229 4646 1 8 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.964 -0.561 18229 4647 1 8 . 1 1 11 11 LYS C C 11 175.543 175.543 175.384 0.159 18229 4648 1 8 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.721 0.833 18229 4649 1 8 . 1 1 11 11 LYS CB C 11 30.177 30.177 32.129 -1.952 18229 4650 1 8 . 1 1 11 11 LYS H H 11 7.931 7.931 8.490 -0.559 18229 4651 1 8 . 1 1 12 12 VAL N N 12 123.753 123.753 120.286 3.467 18229 4652 1 8 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.246 0.171 18229 4653 1 8 . 1 1 12 12 VAL C C 12 175.120 175.120 175.278 -0.158 18229 4654 1 8 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.413 0.359 18229 4655 1 8 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.425 -0.144 18229 4656 1 8 . 1 1 12 12 VAL H H 12 7.901 7.901 7.364 0.537 18229 4657 1 8 . 1 1 13 13 SER N N 13 121.941 121.941 120.624 1.317 18229 4658 1 8 . 1 1 13 13 SER HA H 13 4.627 4.627 5.070 -0.443 18229 4659 1 8 . 1 1 13 13 SER C C 13 175.339 175.339 173.703 1.636 18229 4660 1 8 . 1 1 13 13 SER CA C 13 59.813 59.813 57.940 1.873 18229 4661 1 8 . 1 1 13 13 SER CB C 13 63.763 63.763 64.374 -0.611 18229 4662 1 8 . 1 1 13 13 SER H H 13 8.876 8.876 8.787 0.089 18229 4663 1 8 . 1 1 14 14 GLY N N 14 113.199 113.199 112.533 0.666 18229 4664 1 8 . 1 1 14 14 GLY C C 14 172.742 172.742 172.755 -0.013 18229 4665 1 8 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.446 2.074 18229 4666 1 8 . 1 1 14 14 GLY H H 14 8.277 8.277 8.649 -0.372 18229 4667 1 8 . 1 1 15 15 ILE N N 15 123.240 123.240 120.213 3.027 18229 4668 1 8 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.457 0.353 18229 4669 1 8 . 1 1 15 15 ILE C C 15 175.370 175.370 173.712 1.658 18229 4670 1 8 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.835 0.485 18229 4671 1 8 . 1 1 15 15 ILE CB C 15 41.606 41.606 40.966 0.640 18229 4672 1 8 . 1 1 15 15 ILE H H 15 8.298 8.298 8.296 0.002 18229 4673 1 8 . 1 1 16 16 ILE N N 16 127.865 127.865 126.359 1.506 18229 4674 1 8 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.582 0.418 18229 4675 1 8 . 1 1 16 16 ILE C C 16 173.119 173.119 174.131 -1.012 18229 4676 1 8 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.702 0.053 18229 4677 1 8 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.805 1.063 18229 4678 1 8 . 1 1 16 16 ILE H H 16 9.428 9.428 9.058 0.370 18229 4679 1 8 . 1 1 17 17 ALA N N 17 127.742 127.742 129.853 -2.111 18229 4680 1 8 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.879 0.195 18229 4681 1 8 . 1 1 17 17 ALA C C 17 176.203 176.203 176.116 0.087 18229 4682 1 8 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.084 0.307 18229 4683 1 8 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.618 0.572 18229 4684 1 8 . 1 1 17 17 ALA H H 17 8.966 8.966 7.984 0.982 18229 4685 1 8 . 1 1 18 18 ILE N N 18 122.269 122.269 124.559 -2.290 18229 4686 1 8 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.195 0.426 18229 4687 1 8 . 1 1 18 18 ILE C C 18 174.306 174.306 175.528 -1.222 18229 4688 1 8 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.160 -0.660 18229 4689 1 8 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.455 -0.308 18229 4690 1 8 . 1 1 18 18 ILE H H 18 8.672 8.672 8.509 0.163 18229 4691 1 8 . 1 1 19 19 ASN N N 19 127.575 127.575 125.217 2.358 18229 4692 1 8 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.758 0.304 18229 4693 1 8 . 1 1 19 19 ASN C C 19 174.730 174.730 174.812 -0.082 18229 4694 1 8 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.351 -0.622 18229 4695 1 8 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.876 -0.380 18229 4696 1 8 . 1 1 19 19 ASN H H 19 9.350 9.350 8.817 0.533 18229 4697 1 8 . 1 1 20 20 GLU N N 20 121.547 121.547 123.641 -2.094 18229 4698 1 8 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.142 0.535 18229 4699 1 8 . 1 1 20 20 GLU C C 20 176.091 176.091 175.779 0.312 18229 4700 1 8 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.625 -1.823 18229 4701 1 8 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.651 1.020 18229 4702 1 8 . 1 1 20 20 GLU H H 20 9.037 9.037 8.194 0.843 18229 4703 1 8 . 1 1 21 21 ASP N N 21 121.086 121.086 118.206 2.880 18229 4704 1 8 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.550 0.079 18229 4705 1 8 . 1 1 21 21 ASP C C 21 175.651 175.651 176.054 -0.403 18229 4706 1 8 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.640 0.859 18229 4707 1 8 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.355 0.195 18229 4708 1 8 . 1 1 21 21 ASP H H 21 8.706 8.706 8.361 0.345 18229 4709 1 8 . 1 1 22 22 VAL N N 22 113.108 113.108 118.321 -5.213 18229 4710 1 8 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.443 -0.127 18229 4711 1 8 . 1 1 22 22 VAL C C 22 173.407 173.407 175.377 -1.970 18229 4712 1 8 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.194 -0.042 18229 4713 1 8 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.252 0.777 18229 4714 1 8 . 1 1 22 22 VAL H H 22 6.819 6.819 7.354 -0.535 18229 4715 1 8 . 1 1 23 23 SER N N 23 115.009 115.009 115.109 -0.100 18229 4716 1 8 . 1 1 23 23 SER HA H 23 4.735 4.735 4.635 0.100 18229 4717 1 8 . 1 1 23 23 SER CA C 23 53.848 53.848 57.047 -3.199 18229 4718 1 8 . 1 1 23 23 SER CB C 23 64.810 64.810 63.400 1.410 18229 4719 1 8 . 1 1 23 23 SER H H 23 8.032 8.032 8.093 -0.061 18229 4720 1 8 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.504 0.280 18229 4721 1 8 . 1 1 24 24 PRO C C 24 174.825 174.825 175.804 -0.979 18229 4722 1 8 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.471 0.377 18229 4723 1 8 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.675 2.126 18229 4724 1 8 . 1 1 25 25 ALA N N 25 120.477 120.477 122.136 -1.659 18229 4725 1 8 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.273 0.242 18229 4726 1 8 . 1 1 25 25 ALA C C 25 175.878 175.878 176.719 -0.841 18229 4727 1 8 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.435 0.173 18229 4728 1 8 . 1 1 25 25 ALA CB C 25 20.454 20.454 19.962 0.492 18229 4729 1 8 . 1 1 25 25 ALA H H 25 8.013 8.013 8.261 -0.248 18229 4730 1 8 . 1 1 26 26 GLU N N 26 115.417 115.417 114.432 0.985 18229 4731 1 8 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.195 -0.124 18229 4732 1 8 . 1 1 26 26 GLU C C 26 174.599 174.599 174.969 -0.370 18229 4733 1 8 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.609 -1.623 18229 4734 1 8 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.545 1.720 18229 4735 1 8 . 1 1 26 26 GLU H H 26 7.821 7.821 7.926 -0.105 18229 4736 1 8 . 1 1 27 27 LEU N N 27 124.622 124.622 120.900 3.722 18229 4737 1 8 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.332 -0.294 18229 4738 1 8 . 1 1 27 27 LEU C C 27 174.704 174.704 175.810 -1.106 18229 4739 1 8 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.253 0.504 18229 4740 1 8 . 1 1 27 27 LEU CB C 27 45.646 45.646 45.172 0.474 18229 4741 1 8 . 1 1 27 27 LEU H H 27 8.863 8.863 9.091 -0.228 18229 4742 1 8 . 1 1 28 28 THR N N 28 121.755 121.755 118.007 3.748 18229 4743 1 8 . 1 1 28 28 THR HA H 28 5.152 5.152 4.948 0.204 18229 4744 1 8 . 1 1 28 28 THR C C 28 172.573 172.573 173.169 -0.596 18229 4745 1 8 . 1 1 28 28 THR CA C 28 61.452 61.452 62.324 -0.872 18229 4746 1 8 . 1 1 28 28 THR CB C 28 71.480 71.480 70.098 1.382 18229 4747 1 8 . 1 1 28 28 THR H H 28 9.276 9.276 8.850 0.426 18229 4748 1 8 . 1 1 29 29 TRP N N 29 128.764 128.764 130.685 -1.921 18229 4749 1 8 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.006 0.442 18229 4750 1 8 . 1 1 29 29 TRP C C 29 173.881 173.881 174.197 -0.316 18229 4751 1 8 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.321 -0.531 18229 4752 1 8 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.925 1.405 18229 4753 1 8 . 1 1 29 29 TRP H H 29 9.383 9.383 9.582 -0.199 18229 4754 1 8 . 1 1 30 30 ARG N N 30 126.417 126.417 130.744 -4.327 18229 4755 1 8 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.636 0.171 18229 4756 1 8 . 1 1 30 30 ARG C C 30 174.712 174.712 175.144 -0.432 18229 4757 1 8 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.697 -0.230 18229 4758 1 8 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.909 -0.091 18229 4759 1 8 . 1 1 30 30 ARG H H 30 7.579 7.579 9.151 -1.572 18229 4760 1 8 . 1 1 31 31 SER N N 31 118.415 118.415 120.194 -1.779 18229 4761 1 8 . 1 1 31 31 SER HA H 31 4.480 4.480 3.704 0.776 18229 4762 1 8 . 1 1 31 31 SER C C 31 176.360 176.360 175.036 1.324 18229 4763 1 8 . 1 1 31 31 SER CA C 31 58.070 58.070 59.369 -1.299 18229 4764 1 8 . 1 1 31 31 SER CB C 31 64.272 64.272 63.786 0.486 18229 4765 1 8 . 1 1 31 31 SER H H 31 8.078 8.078 8.626 -0.548 18229 4766 1 8 . 1 1 32 32 THR N N 32 119.175 119.175 120.018 -0.843 18229 4767 1 8 . 1 1 32 32 THR HA H 32 3.847 3.847 4.166 -0.319 18229 4768 1 8 . 1 1 32 32 THR C C 32 175.602 175.602 175.403 0.199 18229 4769 1 8 . 1 1 32 32 THR CA C 32 66.265 66.265 65.622 0.643 18229 4770 1 8 . 1 1 32 32 THR CB C 32 68.557 68.557 69.140 -0.583 18229 4771 1 8 . 1 1 32 32 THR H H 32 8.520 8.520 8.288 0.232 18229 4772 1 8 . 1 1 33 33 ASP N N 33 117.286 117.286 119.756 -2.470 18229 4773 1 8 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.696 -0.079 18229 4774 1 8 . 1 1 33 33 ASP C C 33 177.056 177.056 176.274 0.782 18229 4775 1 8 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.505 -0.280 18229 4776 1 8 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.320 -0.442 18229 4777 1 8 . 1 1 33 33 ASP H H 33 8.223 8.223 7.829 0.394 18229 4778 1 8 . 1 1 34 34 GLY N N 34 109.197 109.197 107.941 1.256 18229 4779 1 8 . 1 1 34 34 GLY C C 34 173.762 173.762 174.570 -0.808 18229 4780 1 8 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.978 0.421 18229 4781 1 8 . 1 1 34 34 GLY H H 34 7.914 7.914 7.602 0.312 18229 4782 1 8 . 1 1 35 35 ASP N N 35 118.081 118.081 119.809 -1.728 18229 4783 1 8 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.641 -0.122 18229 4784 1 8 . 1 1 35 35 ASP C C 35 175.366 175.366 175.985 -0.619 18229 4785 1 8 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.268 -0.408 18229 4786 1 8 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.434 -0.461 18229 4787 1 8 . 1 1 35 35 ASP H H 35 8.238 8.238 7.817 0.421 18229 4788 1 8 . 1 1 36 36 LYS N N 36 120.362 120.362 115.843 4.519 18229 4789 1 8 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.360 0.474 18229 4790 1 8 . 1 1 36 36 LYS C C 36 174.568 174.568 173.478 1.090 18229 4791 1 8 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.440 0.096 18229 4792 1 8 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.941 0.838 18229 4793 1 8 . 1 1 36 36 LYS H H 36 7.749 7.749 7.711 0.038 18229 4794 1 8 . 1 1 37 37 VAL N N 37 121.758 121.758 120.001 1.757 18229 4795 1 8 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.309 -0.038 18229 4796 1 8 . 1 1 37 37 VAL C C 37 175.209 175.209 174.064 1.145 18229 4797 1 8 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.429 -0.166 18229 4798 1 8 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.095 0.888 18229 4799 1 8 . 1 1 37 37 VAL H H 37 8.526 8.526 8.354 0.172 18229 4800 1 8 . 1 1 38 38 HIS N N 38 126.087 126.087 126.456 -0.369 18229 4801 1 8 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.899 0.122 18229 4802 1 8 . 1 1 38 38 HIS C C 38 173.116 173.116 174.602 -1.486 18229 4803 1 8 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.610 1.198 18229 4804 1 8 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.069 0.914 18229 4805 1 8 . 1 1 38 38 HIS H H 38 9.633 9.633 9.466 0.167 18229 4806 1 8 . 1 1 39 39 THR N N 39 124.455 124.455 120.588 3.867 18229 4807 1 8 . 1 1 39 39 THR HA H 39 5.155 5.155 5.170 -0.015 18229 4808 1 8 . 1 1 39 39 THR C C 39 173.102 173.102 173.490 -0.388 18229 4809 1 8 . 1 1 39 39 THR CA C 39 61.637 61.637 61.844 -0.207 18229 4810 1 8 . 1 1 39 39 THR CB C 39 70.716 70.716 69.893 0.823 18229 4811 1 8 . 1 1 39 39 THR H H 39 8.415 8.415 8.628 -0.213 18229 4812 1 8 . 1 1 40 40 VAL N N 40 126.066 126.066 124.444 1.622 18229 4813 1 8 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.177 -0.224 18229 4814 1 8 . 1 1 40 40 VAL C C 40 174.693 174.693 173.796 0.897 18229 4815 1 8 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.628 -0.280 18229 4816 1 8 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.493 -2.219 18229 4817 1 8 . 1 1 40 40 VAL H H 40 9.387 9.387 9.299 0.088 18229 4818 1 8 . 1 1 41 41 VAL N N 41 129.775 129.775 128.408 1.367 18229 4819 1 8 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.542 -0.554 18229 4820 1 8 . 1 1 41 41 VAL C C 41 179.424 179.424 176.590 2.834 18229 4821 1 8 . 1 1 41 41 VAL CA C 41 63.744 63.744 59.569 4.175 18229 4822 1 8 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.663 0.288 18229 4823 1 8 . 1 1 41 41 VAL H H 41 9.021 9.021 8.701 0.320 18229 4824 1 8 . 1 1 42 42 LEU N N 42 129.645 129.645 127.865 1.780 18229 4825 1 8 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.055 -0.082 18229 4826 1 8 . 1 1 42 42 LEU C C 42 176.259 176.259 178.041 -1.782 18229 4827 1 8 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.680 0.963 18229 4828 1 8 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.248 -0.420 18229 4829 1 8 . 1 1 42 42 LEU H H 42 9.147 9.147 8.639 0.508 18229 4830 1 8 . 1 1 43 43 SER N N 43 110.158 110.158 111.546 -1.388 18229 4831 1 8 . 1 1 43 43 SER HA H 43 4.310 4.310 4.166 0.144 18229 4832 1 8 . 1 1 43 43 SER C C 43 175.263 175.263 175.735 -0.472 18229 4833 1 8 . 1 1 43 43 SER CA C 43 59.620 59.620 60.812 -1.192 18229 4834 1 8 . 1 1 43 43 SER CB C 43 61.543 61.543 63.426 -1.883 18229 4835 1 8 . 1 1 43 43 SER H H 43 7.006 7.006 8.216 -1.210 18229 4836 1 8 . 1 1 44 44 THR N N 44 110.206 110.206 113.544 -3.338 18229 4837 1 8 . 1 1 44 44 THR HA H 44 4.504 4.504 4.170 0.334 18229 4838 1 8 . 1 1 44 44 THR C C 44 173.489 173.489 175.422 -1.933 18229 4839 1 8 . 1 1 44 44 THR CA C 44 62.024 62.024 63.861 -1.837 18229 4840 1 8 . 1 1 44 44 THR CB C 44 69.805 69.805 68.963 0.842 18229 4841 1 8 . 1 1 44 44 THR H H 44 7.571 7.571 7.727 -0.156 18229 4842 1 8 . 1 1 45 45 ILE N N 45 120.322 120.322 123.648 -3.326 18229 4843 1 8 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.190 0.077 18229 4844 1 8 . 1 1 45 45 ILE C C 45 174.103 174.103 176.203 -2.100 18229 4845 1 8 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.473 -3.503 18229 4846 1 8 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.901 0.659 18229 4847 1 8 . 1 1 45 45 ILE H H 45 6.975 6.975 7.969 -0.994 18229 4848 1 8 . 1 1 46 46 ASP N N 46 126.492 126.492 127.854 -1.362 18229 4849 1 8 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.375 0.336 18229 4850 1 8 . 1 1 46 46 ASP C C 46 175.431 175.431 175.453 -0.022 18229 4851 1 8 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.725 -1.893 18229 4852 1 8 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.764 2.771 18229 4853 1 8 . 1 1 46 46 ASP H H 46 9.262 9.262 8.860 0.402 18229 4854 1 8 . 1 1 47 47 LYS N N 47 112.726 112.726 112.926 -0.200 18229 4855 1 8 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.476 0.231 18229 4856 1 8 . 1 1 47 47 LYS C C 47 172.673 172.673 173.988 -1.315 18229 4857 1 8 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.515 -0.694 18229 4858 1 8 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.496 2.113 18229 4859 1 8 . 1 1 47 47 LYS H H 47 7.572 7.572 7.405 0.167 18229 4860 1 8 . 1 1 48 48 LEU N N 48 124.840 124.840 123.109 1.731 18229 4861 1 8 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.974 0.077 18229 4862 1 8 . 1 1 48 48 LEU C C 48 173.965 173.965 175.777 -1.812 18229 4863 1 8 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.221 -1.201 18229 4864 1 8 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.036 2.527 18229 4865 1 8 . 1 1 48 48 LEU H H 48 9.013 9.013 8.452 0.561 18229 4866 1 8 . 1 1 49 49 GLN N N 49 121.648 121.648 126.547 -4.899 18229 4867 1 8 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.717 0.801 18229 4868 1 8 . 1 1 49 49 GLN C C 49 174.700 174.700 173.902 0.798 18229 4869 1 8 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.505 -0.906 18229 4870 1 8 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.909 1.117 18229 4871 1 8 . 1 1 49 49 GLN H H 49 9.260 9.260 9.322 -0.062 18229 4872 1 8 . 1 1 50 50 ALA N N 50 122.020 122.020 124.914 -2.894 18229 4873 1 8 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.179 0.568 18229 4874 1 8 . 1 1 50 50 ALA C C 50 177.167 177.167 176.497 0.670 18229 4875 1 8 . 1 1 50 50 ALA CA C 50 50.592 50.592 50.884 -0.292 18229 4876 1 8 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.378 1.985 18229 4877 1 8 . 1 1 50 50 ALA H H 50 9.286 9.286 8.344 0.942 18229 4878 1 8 . 1 1 51 51 THR N N 51 114.222 114.222 115.398 -1.176 18229 4879 1 8 . 1 1 51 51 THR HA H 51 4.735 4.735 4.392 0.343 18229 4880 1 8 . 1 1 51 51 THR CA C 51 59.228 59.228 61.002 -1.774 18229 4881 1 8 . 1 1 51 51 THR CB C 51 67.954 67.954 67.938 0.017 18229 4882 1 8 . 1 1 51 51 THR H H 51 8.340 8.340 8.908 -0.568 18229 4883 1 8 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.492 0.078 18229 4884 1 8 . 1 1 52 52 PRO C C 52 178.621 178.621 177.853 0.768 18229 4885 1 8 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.361 0.067 18229 4886 1 8 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.679 0.040 18229 4887 1 8 . 1 1 53 53 ALA N N 53 126.566 126.566 122.934 3.632 18229 4888 1 8 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.095 -0.040 18229 4889 1 8 . 1 1 53 53 ALA C C 53 177.578 177.578 178.499 -0.921 18229 4890 1 8 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.323 0.497 18229 4891 1 8 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.443 -0.586 18229 4892 1 8 . 1 1 53 53 ALA H H 53 9.109 9.109 8.474 0.635 18229 4893 1 8 . 1 1 54 54 SER N N 54 107.184 107.184 111.901 -4.717 18229 4894 1 8 . 1 1 54 54 SER HA H 54 4.235 4.235 4.380 -0.145 18229 4895 1 8 . 1 1 54 54 SER C C 54 174.838 174.838 174.399 0.439 18229 4896 1 8 . 1 1 54 54 SER CA C 54 58.116 58.116 59.370 -1.254 18229 4897 1 8 . 1 1 54 54 SER CB C 54 63.021 63.021 63.240 -0.219 18229 4898 1 8 . 1 1 54 54 SER H H 54 7.595 7.595 8.012 -0.417 18229 4899 1 8 . 1 1 55 55 SER N N 55 117.098 117.098 116.747 0.351 18229 4900 1 8 . 1 1 55 55 SER HA H 55 4.484 4.484 4.394 0.090 18229 4901 1 8 . 1 1 55 55 SER C C 55 174.833 174.833 174.439 0.394 18229 4902 1 8 . 1 1 55 55 SER CA C 55 57.510 57.510 58.265 -0.755 18229 4903 1 8 . 1 1 55 55 SER CB C 55 64.121 64.121 63.905 0.216 18229 4904 1 8 . 1 1 55 55 SER H H 55 7.613 7.613 7.712 -0.099 18229 4905 1 8 . 1 1 56 56 GLU N N 56 125.258 125.258 127.349 -2.091 18229 4906 1 8 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.138 -0.009 18229 4907 1 8 . 1 1 56 56 GLU C C 56 177.852 177.852 176.620 1.232 18229 4908 1 8 . 1 1 56 56 GLU CA C 56 57.612 57.612 57.940 -0.328 18229 4909 1 8 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.869 -0.445 18229 4910 1 8 . 1 1 56 56 GLU H H 56 8.849 8.849 8.758 0.091 18229 4911 1 8 . 1 1 57 57 LYS N N 57 119.058 119.058 115.868 3.190 18229 4912 1 8 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.757 -0.458 18229 4913 1 8 . 1 1 57 57 LYS C C 57 175.699 175.699 175.231 0.468 18229 4914 1 8 . 1 1 57 57 LYS CA C 57 55.645 55.645 53.939 1.706 18229 4915 1 8 . 1 1 57 57 LYS CB C 57 33.270 33.270 34.745 -1.475 18229 4916 1 8 . 1 1 57 57 LYS H H 57 8.060 8.060 7.333 0.727 18229 4917 1 8 . 1 1 58 58 MET N N 58 123.967 123.967 118.505 5.462 18229 4918 1 8 . 1 1 58 58 MET HA H 58 4.345 4.345 4.866 -0.521 18229 4919 1 8 . 1 1 58 58 MET C C 58 174.213 174.213 174.918 -0.705 18229 4920 1 8 . 1 1 58 58 MET CA C 58 55.170 55.170 54.834 0.336 18229 4921 1 8 . 1 1 58 58 MET CB C 58 35.330 35.330 34.945 0.385 18229 4922 1 8 . 1 1 58 58 MET H H 58 8.828 8.828 8.695 0.133 18229 4923 1 8 . 1 1 59 59 MET N N 59 120.929 120.929 121.557 -0.628 18229 4924 1 8 . 1 1 59 59 MET HA H 59 5.905 5.905 5.369 0.536 18229 4925 1 8 . 1 1 59 59 MET C C 59 174.521 174.521 174.099 0.422 18229 4926 1 8 . 1 1 59 59 MET CA C 59 55.038 55.038 55.554 -0.516 18229 4927 1 8 . 1 1 59 59 MET CB C 59 39.549 39.549 37.566 1.983 18229 4928 1 8 . 1 1 59 59 MET H H 59 8.528 8.528 9.470 -0.942 18229 4929 1 8 . 1 1 60 60 LEU N N 60 117.623 117.623 122.054 -4.431 18229 4930 1 8 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.111 0.554 18229 4931 1 8 . 1 1 60 60 LEU C C 60 175.763 175.763 175.188 0.575 18229 4932 1 8 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.883 -0.697 18229 4933 1 8 . 1 1 60 60 LEU CB C 60 47.561 47.561 44.746 2.815 18229 4934 1 8 . 1 1 60 60 LEU H H 60 9.052 9.052 9.587 -0.535 18229 4935 1 8 . 1 1 61 61 ARG N N 61 120.407 120.407 122.343 -1.936 18229 4936 1 8 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.763 -0.292 18229 4937 1 8 . 1 1 61 61 ARG C C 61 173.286 173.286 174.133 -0.847 18229 4938 1 8 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.704 0.227 18229 4939 1 8 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.284 0.051 18229 4940 1 8 . 1 1 61 61 ARG H H 61 9.180 9.180 9.571 -0.391 18229 4941 1 8 . 1 1 62 62 LEU N N 62 126.471 126.471 125.561 0.910 18229 4942 1 8 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.230 -0.032 18229 4943 1 8 . 1 1 62 62 LEU C C 62 175.447 175.447 175.992 -0.545 18229 4944 1 8 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.316 0.092 18229 4945 1 8 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.694 -1.262 18229 4946 1 8 . 1 1 62 62 LEU H H 62 9.203 9.203 9.062 0.141 18229 4947 1 8 . 1 1 63 63 ILE N N 63 123.282 123.282 124.119 -0.837 18229 4948 1 8 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.554 0.143 18229 4949 1 8 . 1 1 63 63 ILE C C 63 176.525 176.525 176.483 0.042 18229 4950 1 8 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.450 0.226 18229 4951 1 8 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.942 0.763 18229 4952 1 8 . 1 1 63 63 ILE H H 63 8.983 8.983 8.970 0.013 18229 4953 1 8 . 1 1 64 64 GLY N N 64 115.647 115.647 109.670 5.977 18229 4954 1 8 . 1 1 64 64 GLY C C 64 172.300 172.300 173.359 -1.059 18229 4955 1 8 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.576 2.086 18229 4956 1 8 . 1 1 64 64 GLY H H 64 9.372 9.372 8.258 1.114 18229 4957 1 8 . 1 1 65 65 LYS N N 65 119.107 119.107 121.912 -2.805 18229 4958 1 8 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.057 0.249 18229 4959 1 8 . 1 1 65 65 LYS C C 65 177.404 177.404 176.122 1.282 18229 4960 1 8 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.348 -0.847 18229 4961 1 8 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.129 2.289 18229 4962 1 8 . 1 1 65 65 LYS H H 65 8.289 8.289 8.098 0.191 18229 4963 1 8 . 1 1 66 66 VAL N N 66 122.231 122.231 123.249 -1.018 18229 4964 1 8 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.196 -0.117 18229 4965 1 8 . 1 1 66 66 VAL C C 66 175.253 175.253 175.869 -0.616 18229 4966 1 8 . 1 1 66 66 VAL CA C 66 62.136 62.136 60.813 1.323 18229 4967 1 8 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.852 -0.568 18229 4968 1 8 . 1 1 66 66 VAL H H 66 8.607 8.607 8.223 0.384 18229 4969 1 8 . 1 1 67 67 ASP N N 67 125.538 125.538 123.577 1.961 18229 4970 1 8 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.726 -0.027 18229 4971 1 8 . 1 1 67 67 ASP C C 67 176.601 176.601 176.836 -0.235 18229 4972 1 8 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.014 0.044 18229 4973 1 8 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.322 0.550 18229 4974 1 8 . 1 1 67 67 ASP H H 67 8.457 8.457 8.749 -0.292 18229 4975 1 8 . 1 1 68 68 GLU N N 68 124.433 124.433 118.644 5.789 18229 4976 1 8 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.083 0.041 18229 4977 1 8 . 1 1 68 68 GLU C C 68 177.344 177.344 178.036 -0.692 18229 4978 1 8 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.186 -0.551 18229 4979 1 8 . 1 1 68 68 GLU CB C 68 29.680 29.680 28.933 0.747 18229 4980 1 8 . 1 1 68 68 GLU H H 68 8.712 8.712 8.313 0.399 18229 4981 1 8 . 1 1 69 69 SER N N 69 115.596 115.596 114.685 0.911 18229 4982 1 8 . 1 1 69 69 SER HA H 69 4.328 4.328 4.220 0.108 18229 4983 1 8 . 1 1 69 69 SER C C 69 175.180 175.180 175.309 -0.129 18229 4984 1 8 . 1 1 69 69 SER CA C 69 60.146 60.146 60.790 -0.644 18229 4985 1 8 . 1 1 69 69 SER CB C 69 63.383 63.383 62.755 0.628 18229 4986 1 8 . 1 1 69 69 SER H H 69 8.467 8.467 8.320 0.147 18229 4987 1 8 . 1 1 70 70 LYS N N 70 121.738 121.738 119.232 2.506 18229 4988 1 8 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.208 0.198 18229 4989 1 8 . 1 1 70 70 LYS C C 70 176.165 176.165 175.819 0.346 18229 4990 1 8 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.493 -1.083 18229 4991 1 8 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.886 -0.386 18229 4992 1 8 . 1 1 70 70 LYS H H 70 7.675 7.675 7.432 0.243 18229 4993 1 8 . 1 1 71 71 LYS N N 71 121.087 121.087 116.759 4.328 18229 4994 1 8 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.066 0.342 18229 4995 1 8 . 1 1 71 71 LYS C C 71 176.134 176.134 175.162 0.972 18229 4996 1 8 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.230 -0.625 18229 4997 1 8 . 1 1 71 71 LYS CB C 71 33.283 33.283 30.976 2.307 18229 4998 1 8 . 1 1 71 71 LYS H H 71 7.739 7.739 8.245 -0.506 18229 4999 1 8 . 1 1 72 72 ARG N N 72 122.147 122.147 120.019 2.128 18229 5000 1 8 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.625 -0.041 18229 5001 1 8 . 1 1 72 72 ARG C C 72 175.217 175.217 175.322 -0.105 18229 5002 1 8 . 1 1 72 72 ARG CA C 72 55.041 55.041 53.678 1.363 18229 5003 1 8 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.537 -0.183 18229 5004 1 8 . 1 1 72 72 ARG H H 72 8.402 8.402 7.899 0.503 18229 5005 1 8 . 1 1 73 73 LYS N N 73 121.242 121.242 120.811 0.431 18229 5006 1 8 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.508 0.391 18229 5007 1 8 . 1 1 73 73 LYS C C 73 176.966 176.966 176.393 0.573 18229 5008 1 8 . 1 1 73 73 LYS CA C 73 55.365 55.365 55.645 -0.280 18229 5009 1 8 . 1 1 73 73 LYS CB C 73 34.631 34.631 32.589 2.042 18229 5010 1 8 . 1 1 73 73 LYS H H 73 8.386 8.386 8.300 0.086 18229 5011 1 8 . 1 1 74 74 ASP N N 74 122.007 122.007 118.713 3.294 18229 5012 1 8 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.656 -0.005 18229 5013 1 8 . 1 1 74 74 ASP C C 74 177.401 177.401 176.637 0.764 18229 5014 1 8 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.754 -2.913 18229 5015 1 8 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.864 -0.856 18229 5016 1 8 . 1 1 74 74 ASP H H 74 8.559 8.559 8.553 0.006 18229 5017 1 8 . 1 1 75 75 ASN N N 75 116.263 116.263 115.136 1.127 18229 5018 1 8 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.744 -0.209 18229 5019 1 8 . 1 1 75 75 ASN C C 75 175.944 175.944 175.075 0.869 18229 5020 1 8 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.454 1.423 18229 5021 1 8 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.401 -0.291 18229 5022 1 8 . 1 1 75 75 ASN H H 75 8.414 8.414 8.205 0.209 18229 5023 1 8 . 1 1 76 76 GLU N N 76 118.940 118.940 119.326 -0.386 18229 5024 1 8 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.453 -0.060 18229 5025 1 8 . 1 1 76 76 GLU C C 76 176.512 176.512 176.696 -0.184 18229 5026 1 8 . 1 1 76 76 GLU CA C 76 56.166 56.166 56.399 -0.233 18229 5027 1 8 . 1 1 76 76 GLU CB C 76 30.010 30.010 30.570 -0.560 18229 5028 1 8 . 1 1 76 76 GLU H H 76 8.133 8.133 8.346 -0.213 18229 5029 1 8 . 1 1 77 77 GLY N N 77 108.056 108.056 107.092 0.964 18229 5030 1 8 . 1 1 77 77 GLY C C 77 174.193 174.193 173.760 0.433 18229 5031 1 8 . 1 1 77 77 GLY CA C 77 45.287 45.287 44.578 0.709 18229 5032 1 8 . 1 1 77 77 GLY H H 77 8.083 8.083 7.993 0.090 18229 5033 1 8 . 1 1 78 78 ASN N N 78 119.896 119.896 118.435 1.461 18229 5034 1 8 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.642 0.100 18229 5035 1 8 . 1 1 78 78 ASN C C 78 175.006 175.006 174.510 0.496 18229 5036 1 8 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.563 -0.736 18229 5037 1 8 . 1 1 78 78 ASN CB C 78 38.996 38.996 38.933 0.063 18229 5038 1 8 . 1 1 78 78 ASN H H 78 8.537 8.537 8.217 0.320 18229 5039 1 8 . 1 1 79 79 GLU N N 79 121.648 121.648 117.335 4.313 18229 5040 1 8 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.614 -0.143 18229 5041 1 8 . 1 1 79 79 GLU C C 79 176.268 176.268 176.180 0.088 18229 5042 1 8 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.848 0.762 18229 5043 1 8 . 1 1 79 79 GLU CB C 79 30.307 30.307 32.644 -2.337 18229 5044 1 8 . 1 1 79 79 GLU H H 79 8.674 8.674 8.381 0.293 18229 5045 1 8 . 1 1 80 80 VAL N N 80 124.083 124.083 123.452 0.631 18229 5046 1 8 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.283 -0.035 18229 5047 1 8 . 1 1 80 80 VAL C C 80 175.537 175.537 176.709 -1.172 18229 5048 1 8 . 1 1 80 80 VAL CA C 80 61.465 61.465 63.090 -1.625 18229 5049 1 8 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.724 0.829 18229 5050 1 8 . 1 1 80 80 VAL H H 80 8.554 8.554 9.168 -0.614 18229 5051 1 8 . 1 1 81 81 VAL N N 81 126.640 126.640 120.390 6.250 18229 5052 1 8 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.824 0.603 18229 5053 1 8 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.976 -2.371 18229 5054 1 8 . 1 1 81 81 VAL CB C 81 32.876 32.876 32.002 0.874 18229 5055 1 8 . 1 1 81 81 VAL H H 81 8.390 8.390 7.929 0.461 18229 5056 1 8 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.329 0.098 18229 5057 1 8 . 1 1 82 82 PRO C C 82 176.034 176.034 175.858 0.176 18229 5058 1 8 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.562 -0.852 18229 5059 1 8 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.013 0.339 18229 5060 1 8 . 1 1 83 83 LYS N N 83 121.719 121.719 123.970 -2.251 18229 5061 1 8 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.362 0.186 18229 5062 1 8 . 1 1 83 83 LYS CA C 83 53.856 53.856 54.748 -0.892 18229 5063 1 8 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.866 0.464 18229 5064 1 8 . 1 1 83 83 LYS H H 83 8.308 8.308 8.181 0.127 18229 5065 1 8 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.544 -0.248 18229 5066 1 8 . 1 1 84 84 PRO C C 84 176.773 176.773 175.668 1.105 18229 5067 1 8 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.337 0.219 18229 5068 1 8 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.466 0.152 18229 5069 1 8 . 1 1 85 85 GLN N N 85 121.395 121.395 120.263 1.132 18229 5070 1 8 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.523 -0.382 18229 5071 1 8 . 1 1 85 85 GLN C C 85 174.940 174.940 174.788 0.152 18229 5072 1 8 . 1 1 85 85 GLN CA C 85 56.062 56.062 54.469 1.593 18229 5073 1 8 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.470 0.260 18229 5074 1 8 . 1 1 85 85 GLN H H 85 8.464 8.464 8.571 -0.107 18229 5075 1 8 . 1 1 86 86 ARG N N 86 121.035 121.035 123.324 -2.289 18229 5076 1 8 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.785 0.342 18229 5077 1 8 . 1 1 86 86 ARG C C 86 175.052 175.052 175.386 -0.334 18229 5078 1 8 . 1 1 86 86 ARG CA C 86 54.534 54.534 53.925 0.609 18229 5079 1 8 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.276 0.056 18229 5080 1 8 . 1 1 86 86 ARG H H 86 8.248 8.248 8.458 -0.210 18229 5081 1 8 . 1 1 87 87 HIS N N 87 120.780 120.780 120.783 -0.003 18229 5082 1 8 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.571 0.111 18229 5083 1 8 . 1 1 87 87 HIS C C 87 173.558 173.558 173.616 -0.058 18229 5084 1 8 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.648 -0.456 18229 5085 1 8 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.229 2.825 18229 5086 1 8 . 1 1 87 87 HIS H H 87 8.659 8.659 8.932 -0.273 18229 5087 1 8 . 1 1 88 88 MET N N 88 126.780 126.780 123.662 3.118 18229 5088 1 8 . 1 1 88 88 MET HA H 88 5.283 5.283 4.464 0.819 18229 5089 1 8 . 1 1 88 88 MET C C 88 173.297 173.297 173.598 -0.301 18229 5090 1 8 . 1 1 88 88 MET CA C 88 54.835 54.835 55.091 -0.256 18229 5091 1 8 . 1 1 88 88 MET CB C 88 35.794 35.794 34.395 1.399 18229 5092 1 8 . 1 1 88 88 MET H H 88 8.710 8.710 8.278 0.432 18229 5093 1 8 . 1 1 89 89 PHE N N 89 122.543 122.543 123.902 -1.359 18229 5094 1 8 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.375 -0.180 18229 5095 1 8 . 1 1 89 89 PHE C C 89 174.410 174.410 174.978 -0.568 18229 5096 1 8 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.634 0.745 18229 5097 1 8 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.418 2.771 18229 5098 1 8 . 1 1 89 89 PHE H H 89 8.969 8.969 9.437 -0.468 18229 5099 1 8 . 1 1 90 90 SER N N 90 116.192 116.192 120.116 -3.924 18229 5100 1 8 . 1 1 90 90 SER HA H 90 5.696 5.696 4.829 0.867 18229 5101 1 8 . 1 1 90 90 SER C C 90 173.030 173.030 174.104 -1.074 18229 5102 1 8 . 1 1 90 90 SER CA C 90 56.771 56.771 58.572 -1.801 18229 5103 1 8 . 1 1 90 90 SER CB C 90 64.961 64.961 63.398 1.563 18229 5104 1 8 . 1 1 90 90 SER H H 90 8.657 8.657 8.677 -0.020 18229 5105 1 8 . 1 1 91 91 PHE N N 91 120.710 120.710 125.192 -4.482 18229 5106 1 8 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.643 0.244 18229 5107 1 8 . 1 1 91 91 PHE C C 91 174.442 174.442 175.560 -1.118 18229 5108 1 8 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.240 -0.815 18229 5109 1 8 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.736 2.656 18229 5110 1 8 . 1 1 91 91 PHE H H 91 9.001 9.001 8.907 0.094 18229 5111 1 8 . 1 1 92 92 ASN N N 92 115.967 115.967 120.321 -4.354 18229 5112 1 8 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.808 0.299 18229 5113 1 8 . 1 1 92 92 ASN C C 92 174.835 174.835 173.662 1.173 18229 5114 1 8 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.863 -0.612 18229 5115 1 8 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.019 0.870 18229 5116 1 8 . 1 1 92 92 ASN H H 92 9.093 9.093 8.821 0.272 18229 5117 1 8 . 1 1 93 93 ASN N N 93 118.401 118.401 116.336 2.065 18229 5118 1 8 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.868 0.054 18229 5119 1 8 . 1 1 93 93 ASN C C 93 174.524 174.524 174.273 0.251 18229 5120 1 8 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.370 -0.357 18229 5121 1 8 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.965 0.796 18229 5122 1 8 . 1 1 93 93 ASN H H 93 7.252 7.252 7.754 -0.502 18229 5123 1 8 . 1 1 94 94 ARG N N 94 129.175 129.175 123.495 5.680 18229 5124 1 8 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.126 -0.261 18229 5125 1 8 . 1 1 94 94 ARG C C 94 176.797 176.797 177.358 -0.561 18229 5126 1 8 . 1 1 94 94 ARG CA C 94 59.483 59.483 58.861 0.622 18229 5127 1 8 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.402 -0.273 18229 5128 1 8 . 1 1 94 94 ARG H H 94 9.309 9.309 9.010 0.299 18229 5129 1 8 . 1 1 95 95 THR N N 95 115.594 115.594 114.429 1.165 18229 5130 1 8 . 1 1 95 95 THR HA H 95 4.021 4.021 4.153 -0.132 18229 5131 1 8 . 1 1 95 95 THR C C 95 176.735 176.735 176.096 0.639 18229 5132 1 8 . 1 1 95 95 THR CA C 95 66.430 66.430 66.471 -0.041 18229 5133 1 8 . 1 1 95 95 THR CB C 95 68.357 68.357 68.329 0.028 18229 5134 1 8 . 1 1 95 95 THR H H 95 7.973 7.973 8.131 -0.158 18229 5135 1 8 . 1 1 96 96 VAL N N 96 121.833 121.833 121.430 0.403 18229 5136 1 8 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.825 -0.042 18229 5137 1 8 . 1 1 96 96 VAL C C 96 177.561 177.561 178.020 -0.459 18229 5138 1 8 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.175 -0.050 18229 5139 1 8 . 1 1 96 96 VAL CB C 96 32.201 32.201 30.944 1.257 18229 5140 1 8 . 1 1 96 96 VAL H H 96 7.565 7.565 7.551 0.014 18229 5141 1 8 . 1 1 97 97 MET N N 97 117.429 117.429 118.568 -1.139 18229 5142 1 8 . 1 1 97 97 MET HA H 97 4.551 4.551 3.348 1.203 18229 5143 1 8 . 1 1 97 97 MET C C 97 177.257 177.257 177.605 -0.348 18229 5144 1 8 . 1 1 97 97 MET CA C 97 59.753 59.753 58.616 1.137 18229 5145 1 8 . 1 1 97 97 MET CB C 97 32.515 32.515 31.362 1.153 18229 5146 1 8 . 1 1 97 97 MET H H 97 7.336 7.336 8.538 -1.202 18229 5147 1 8 . 1 1 98 98 ASP N N 98 118.159 118.159 119.734 -1.575 18229 5148 1 8 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.340 -0.025 18229 5149 1 8 . 1 1 98 98 ASP C C 98 178.771 178.771 178.369 0.402 18229 5150 1 8 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.117 0.487 18229 5151 1 8 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.416 -0.752 18229 5152 1 8 . 1 1 98 98 ASP H H 98 8.712 8.712 7.977 0.735 18229 5153 1 8 . 1 1 99 99 ASN N N 99 120.354 120.354 117.888 2.466 18229 5154 1 8 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.596 -0.116 18229 5155 1 8 . 1 1 99 99 ASN C C 99 178.232 178.232 177.189 1.043 18229 5156 1 8 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.721 0.579 18229 5157 1 8 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.115 -0.667 18229 5158 1 8 . 1 1 99 99 ASN H H 99 8.084 8.084 7.560 0.524 18229 5159 1 8 . 1 1 100 100 ILE N N 100 120.990 120.990 121.783 -0.793 18229 5160 1 8 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.871 -0.234 18229 5161 1 8 . 1 1 100 100 ILE C C 100 177.463 177.463 178.060 -0.597 18229 5162 1 8 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.664 -1.891 18229 5163 1 8 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.120 -1.653 18229 5164 1 8 . 1 1 100 100 ILE H H 100 8.017 8.017 8.820 -0.803 18229 5165 1 8 . 1 1 101 101 LYS N N 101 120.814 120.814 119.521 1.293 18229 5166 1 8 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.822 -0.187 18229 5167 1 8 . 1 1 101 101 LYS C C 101 177.365 177.365 179.112 -1.747 18229 5168 1 8 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.933 0.703 18229 5169 1 8 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.247 0.744 18229 5170 1 8 . 1 1 101 101 LYS H H 101 8.944 8.944 8.098 0.846 18229 5171 1 8 . 1 1 102 102 MET N N 102 116.514 116.514 114.415 2.099 18229 5172 1 8 . 1 1 102 102 MET HA H 102 4.209 4.209 4.454 -0.245 18229 5173 1 8 . 1 1 102 102 MET C C 102 178.925 178.925 178.151 0.774 18229 5174 1 8 . 1 1 102 102 MET CA C 102 58.720 58.720 58.615 0.105 18229 5175 1 8 . 1 1 102 102 MET CB C 102 32.299 32.299 32.563 -0.264 18229 5176 1 8 . 1 1 102 102 MET H H 102 8.123 8.123 7.332 0.791 18229 5177 1 8 . 1 1 103 103 THR N N 103 118.583 118.583 117.855 0.728 18229 5178 1 8 . 1 1 103 103 THR HA H 103 3.882 3.882 4.127 -0.245 18229 5179 1 8 . 1 1 103 103 THR C C 103 176.474 176.474 176.843 -0.369 18229 5180 1 8 . 1 1 103 103 THR CA C 103 66.489 66.489 67.051 -0.562 18229 5181 1 8 . 1 1 103 103 THR CB C 103 67.864 67.864 68.751 -0.887 18229 5182 1 8 . 1 1 103 103 THR H H 103 7.768 7.768 8.259 -0.491 18229 5183 1 8 . 1 1 104 104 LEU N N 104 119.575 119.575 121.196 -1.621 18229 5184 1 8 . 1 1 104 104 LEU HA H 104 3.882 3.882 4.062 -0.180 18229 5185 1 8 . 1 1 104 104 LEU C C 104 177.935 177.935 178.622 -0.687 18229 5186 1 8 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.373 -0.397 18229 5187 1 8 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.445 0.877 18229 5188 1 8 . 1 1 104 104 LEU H H 104 8.537 8.537 8.762 -0.225 18229 5189 1 8 . 1 1 105 105 GLN N N 105 119.463 119.463 118.873 0.590 18229 5190 1 8 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.836 -0.127 18229 5191 1 8 . 1 1 105 105 GLN C C 105 178.507 178.507 178.229 0.278 18229 5192 1 8 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.674 0.066 18229 5193 1 8 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.582 0.057 18229 5194 1 8 . 1 1 105 105 GLN H H 105 8.736 8.736 7.779 0.957 18229 5195 1 8 . 1 1 106 106 GLN N N 106 118.984 118.984 117.271 1.713 18229 5196 1 8 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.041 -0.065 18229 5197 1 8 . 1 1 106 106 GLN C C 106 178.454 178.454 177.504 0.950 18229 5198 1 8 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.556 0.462 18229 5199 1 8 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.281 0.171 18229 5200 1 8 . 1 1 106 106 GLN H H 106 7.689 7.689 7.989 -0.300 18229 5201 1 8 . 1 1 107 107 ILE N N 107 119.928 119.928 117.629 2.299 18229 5202 1 8 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.935 -0.472 18229 5203 1 8 . 1 1 107 107 ILE C C 107 177.492 177.492 177.767 -0.275 18229 5204 1 8 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.210 2.232 18229 5205 1 8 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.413 1.082 18229 5206 1 8 . 1 1 107 107 ILE H H 107 7.910 7.910 7.027 0.883 18229 5207 1 8 . 1 1 108 108 ILE N N 108 117.958 117.958 121.466 -3.508 18229 5208 1 8 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.365 2.394 18229 5209 1 8 . 1 1 108 108 ILE C C 108 178.625 178.625 177.821 0.804 18229 5210 1 8 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.604 0.975 18229 5211 1 8 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.520 1.732 18229 5212 1 8 . 1 1 108 108 ILE H H 108 8.767 8.767 8.305 0.462 18229 5213 1 8 . 1 1 109 109 SER N N 109 113.450 113.450 114.659 -1.209 18229 5214 1 8 . 1 1 109 109 SER HA H 109 4.271 4.271 3.929 0.342 18229 5215 1 8 . 1 1 109 109 SER C C 109 175.966 175.966 176.796 -0.830 18229 5216 1 8 . 1 1 109 109 SER CA C 109 62.205 62.205 61.576 0.629 18229 5217 1 8 . 1 1 109 109 SER CB C 109 63.094 63.094 62.379 0.715 18229 5218 1 8 . 1 1 109 109 SER H H 109 7.797 7.797 8.245 -0.448 18229 5219 1 8 . 1 1 110 110 ARG N N 110 120.739 120.739 121.611 -0.872 18229 5220 1 8 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.149 -0.030 18229 5221 1 8 . 1 1 110 110 ARG C C 110 179.056 179.056 179.286 -0.230 18229 5222 1 8 . 1 1 110 110 ARG CA C 110 58.820 58.820 59.029 -0.209 18229 5223 1 8 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.371 -0.572 18229 5224 1 8 . 1 1 110 110 ARG H H 110 7.450 7.450 8.102 -0.652 18229 5225 1 8 . 1 1 111 111 TYR N N 111 117.972 117.972 118.823 -0.851 18229 5226 1 8 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.327 0.379 18229 5227 1 8 . 1 1 111 111 TYR C C 111 177.853 177.853 177.981 -0.128 18229 5228 1 8 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.804 0.809 18229 5229 1 8 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.303 0.005 18229 5230 1 8 . 1 1 111 111 TYR H H 111 7.558 7.558 8.454 -0.896 18229 5231 1 8 . 1 1 112 112 LYS N N 112 120.615 120.615 118.405 2.210 18229 5232 1 8 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.182 0.199 18229 5233 1 8 . 1 1 112 112 LYS C C 112 177.893 177.893 177.905 -0.012 18229 5234 1 8 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.542 0.047 18229 5235 1 8 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.026 0.577 18229 5236 1 8 . 1 1 112 112 LYS H H 112 8.080 8.080 7.512 0.568 18229 5237 1 8 . 1 1 113 113 ASP N N 113 120.325 120.325 120.130 0.195 18229 5238 1 8 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.488 0.156 18229 5239 1 8 . 1 1 113 113 ASP C C 113 176.950 176.950 177.279 -0.329 18229 5240 1 8 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.968 -0.705 18229 5241 1 8 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.908 -0.017 18229 5242 1 8 . 1 1 113 113 ASP H H 113 8.191 8.191 8.320 -0.129 18229 5243 1 8 . 1 1 114 114 ALA N N 114 122.906 122.906 120.242 2.664 18229 5244 1 8 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.340 0.008 18229 5245 1 8 . 1 1 114 114 ALA C C 114 178.055 178.055 177.934 0.121 18229 5246 1 8 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.109 1.065 18229 5247 1 8 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.547 -0.447 18229 5248 1 8 . 1 1 114 114 ALA H H 114 7.900 7.900 7.708 0.192 18229 5249 1 9 . 1 1 2 2 SER N N 2 113.055 113.055 117.360 -4.305 18229 5250 1 9 . 1 1 2 2 SER HA H 2 4.418 4.418 4.482 -0.064 18229 5251 1 9 . 1 1 2 2 SER C C 2 174.994 174.994 175.957 -0.963 18229 5252 1 9 . 1 1 2 2 SER CA C 2 58.540 58.540 59.380 -0.840 18229 5253 1 9 . 1 1 2 2 SER CB C 2 63.748 63.748 64.151 -0.403 18229 5254 1 9 . 1 1 2 2 SER H H 2 8.061 8.061 8.465 -0.404 18229 5255 1 9 . 1 1 3 3 HIS N N 3 119.062 119.062 121.043 -1.981 18229 5256 1 9 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.328 0.407 18229 5257 1 9 . 1 1 3 3 HIS C C 3 173.417 173.417 173.553 -0.136 18229 5258 1 9 . 1 1 3 3 HIS CA C 3 55.304 55.304 57.770 -2.466 18229 5259 1 9 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.713 -0.166 18229 5260 1 9 . 1 1 3 3 HIS H H 3 8.410 8.410 8.681 -0.271 18229 5261 1 9 . 1 1 4 4 SER N N 4 113.520 113.520 110.116 3.404 18229 5262 1 9 . 1 1 4 4 SER HA H 4 5.516 5.516 4.855 0.661 18229 5263 1 9 . 1 1 4 4 SER C C 4 173.602 173.602 172.845 0.757 18229 5264 1 9 . 1 1 4 4 SER CA C 4 57.005 57.005 57.062 -0.057 18229 5265 1 9 . 1 1 4 4 SER CB C 4 65.989 65.989 66.848 -0.859 18229 5266 1 9 . 1 1 4 4 SER H H 4 7.817 7.817 7.626 0.191 18229 5267 1 9 . 1 1 5 5 GLY N N 5 106.959 106.959 104.995 1.964 18229 5268 1 9 . 1 1 5 5 GLY C C 5 171.058 171.058 171.807 -0.749 18229 5269 1 9 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.623 -0.152 18229 5270 1 9 . 1 1 5 5 GLY H H 5 8.356 8.356 8.630 -0.274 18229 5271 1 9 . 1 1 6 6 ALA N N 6 125.264 125.264 123.540 1.724 18229 5272 1 9 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.571 0.390 18229 5273 1 9 . 1 1 6 6 ALA C C 6 176.831 176.831 175.715 1.116 18229 5274 1 9 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.331 1.414 18229 5275 1 9 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.124 -0.744 18229 5276 1 9 . 1 1 6 6 ALA H H 6 8.641 8.641 8.367 0.274 18229 5277 1 9 . 1 1 7 7 ALA N N 7 119.937 119.937 122.773 -2.836 18229 5278 1 9 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.612 0.043 18229 5279 1 9 . 1 1 7 7 ALA C C 7 176.683 176.683 175.634 1.049 18229 5280 1 9 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.322 1.423 18229 5281 1 9 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.863 1.173 18229 5282 1 9 . 1 1 7 7 ALA H H 7 8.370 8.370 8.199 0.171 18229 5283 1 9 . 1 1 8 8 ILE N N 8 125.430 125.430 119.610 5.820 18229 5284 1 9 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.252 -0.257 18229 5285 1 9 . 1 1 8 8 ILE C C 8 175.310 175.310 174.942 0.368 18229 5286 1 9 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.362 1.590 18229 5287 1 9 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.196 1.491 18229 5288 1 9 . 1 1 8 8 ILE H H 8 9.349 9.349 8.394 0.955 18229 5289 1 9 . 1 1 9 9 PHE N N 9 128.906 128.906 127.996 0.910 18229 5290 1 9 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.365 -0.073 18229 5291 1 9 . 1 1 9 9 PHE C C 9 173.925 173.925 174.584 -0.659 18229 5292 1 9 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.383 0.888 18229 5293 1 9 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.980 -0.413 18229 5294 1 9 . 1 1 9 9 PHE H H 9 8.450 8.450 8.724 -0.274 18229 5295 1 9 . 1 1 10 10 GLU N N 10 126.509 126.509 127.646 -1.137 18229 5296 1 9 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.775 -0.571 18229 5297 1 9 . 1 1 10 10 GLU C C 10 175.157 175.157 175.673 -0.516 18229 5298 1 9 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.931 -0.152 18229 5299 1 9 . 1 1 10 10 GLU CB C 10 26.449 26.449 28.096 -1.647 18229 5300 1 9 . 1 1 10 10 GLU H H 10 8.749 8.749 8.803 -0.054 18229 5301 1 9 . 1 1 11 11 LYS N N 11 105.729 105.729 110.837 -5.108 18229 5302 1 9 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.901 -0.498 18229 5303 1 9 . 1 1 11 11 LYS C C 11 175.543 175.543 175.356 0.187 18229 5304 1 9 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.687 0.867 18229 5305 1 9 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.320 -1.143 18229 5306 1 9 . 1 1 11 11 LYS H H 11 7.931 7.931 8.420 -0.489 18229 5307 1 9 . 1 1 12 12 VAL N N 12 123.753 123.753 121.366 2.387 18229 5308 1 9 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.316 0.101 18229 5309 1 9 . 1 1 12 12 VAL C C 12 175.120 175.120 175.445 -0.325 18229 5310 1 9 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.502 0.270 18229 5311 1 9 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.191 0.090 18229 5312 1 9 . 1 1 12 12 VAL H H 12 7.901 7.901 7.341 0.560 18229 5313 1 9 . 1 1 13 13 SER N N 13 121.941 121.941 120.555 1.386 18229 5314 1 9 . 1 1 13 13 SER HA H 13 4.627 4.627 5.082 -0.455 18229 5315 1 9 . 1 1 13 13 SER C C 13 175.339 175.339 174.074 1.265 18229 5316 1 9 . 1 1 13 13 SER CA C 13 59.813 59.813 58.137 1.676 18229 5317 1 9 . 1 1 13 13 SER CB C 13 63.763 63.763 64.201 -0.438 18229 5318 1 9 . 1 1 13 13 SER H H 13 8.876 8.876 8.772 0.104 18229 5319 1 9 . 1 1 14 14 GLY N N 14 113.199 113.199 114.317 -1.118 18229 5320 1 9 . 1 1 14 14 GLY C C 14 172.742 172.742 172.733 0.009 18229 5321 1 9 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.426 2.094 18229 5322 1 9 . 1 1 14 14 GLY H H 14 8.277 8.277 8.761 -0.484 18229 5323 1 9 . 1 1 15 15 ILE N N 15 123.240 123.240 120.285 2.955 18229 5324 1 9 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.438 0.372 18229 5325 1 9 . 1 1 15 15 ILE C C 15 175.370 175.370 173.769 1.601 18229 5326 1 9 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.833 0.487 18229 5327 1 9 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.048 0.558 18229 5328 1 9 . 1 1 15 15 ILE H H 15 8.298 8.298 8.299 -0.001 18229 5329 1 9 . 1 1 16 16 ILE N N 16 127.865 127.865 126.357 1.508 18229 5330 1 9 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.545 0.455 18229 5331 1 9 . 1 1 16 16 ILE C C 16 173.119 173.119 174.024 -0.905 18229 5332 1 9 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.623 0.132 18229 5333 1 9 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.801 1.067 18229 5334 1 9 . 1 1 16 16 ILE H H 16 9.428 9.428 9.009 0.419 18229 5335 1 9 . 1 1 17 17 ALA N N 17 127.742 127.742 129.672 -1.930 18229 5336 1 9 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.875 0.199 18229 5337 1 9 . 1 1 17 17 ALA C C 17 176.203 176.203 176.148 0.055 18229 5338 1 9 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.008 0.383 18229 5339 1 9 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.653 0.537 18229 5340 1 9 . 1 1 17 17 ALA H H 17 8.966 8.966 8.113 0.853 18229 5341 1 9 . 1 1 18 18 ILE N N 18 122.269 122.269 124.460 -2.191 18229 5342 1 9 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.031 0.590 18229 5343 1 9 . 1 1 18 18 ILE C C 18 174.306 174.306 174.871 -0.565 18229 5344 1 9 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.470 -0.970 18229 5345 1 9 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.084 0.063 18229 5346 1 9 . 1 1 18 18 ILE H H 18 8.672 8.672 8.663 0.009 18229 5347 1 9 . 1 1 19 19 ASN N N 19 127.575 127.575 123.559 4.016 18229 5348 1 9 . 1 1 19 19 ASN HA H 19 5.062 5.062 5.003 0.059 18229 5349 1 9 . 1 1 19 19 ASN C C 19 174.730 174.730 175.001 -0.271 18229 5350 1 9 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.586 -0.856 18229 5351 1 9 . 1 1 19 19 ASN CB C 19 39.496 39.496 40.832 -1.336 18229 5352 1 9 . 1 1 19 19 ASN H H 19 9.350 9.350 8.785 0.565 18229 5353 1 9 . 1 1 20 20 GLU N N 20 121.547 121.547 124.889 -3.342 18229 5354 1 9 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.455 0.222 18229 5355 1 9 . 1 1 20 20 GLU C C 20 176.091 176.091 176.306 -0.215 18229 5356 1 9 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.620 -1.818 18229 5357 1 9 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.991 0.681 18229 5358 1 9 . 1 1 20 20 GLU H H 20 9.037 9.037 9.144 -0.107 18229 5359 1 9 . 1 1 21 21 ASP N N 21 121.086 121.086 117.808 3.278 18229 5360 1 9 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.640 -0.011 18229 5361 1 9 . 1 1 21 21 ASP C C 21 175.651 175.651 176.174 -0.523 18229 5362 1 9 . 1 1 21 21 ASP CA C 21 55.499 55.499 55.413 0.086 18229 5363 1 9 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.702 -0.152 18229 5364 1 9 . 1 1 21 21 ASP H H 21 8.706 8.706 8.525 0.181 18229 5365 1 9 . 1 1 22 22 VAL N N 22 113.108 113.108 117.121 -4.013 18229 5366 1 9 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.235 0.081 18229 5367 1 9 . 1 1 22 22 VAL C C 22 173.407 173.407 175.268 -1.861 18229 5368 1 9 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.131 -0.978 18229 5369 1 9 . 1 1 22 22 VAL CB C 22 34.029 34.029 32.718 1.311 18229 5370 1 9 . 1 1 22 22 VAL H H 22 6.819 6.819 7.363 -0.544 18229 5371 1 9 . 1 1 23 23 SER N N 23 115.009 115.009 112.531 2.478 18229 5372 1 9 . 1 1 23 23 SER HA H 23 4.735 4.735 4.676 0.059 18229 5373 1 9 . 1 1 23 23 SER CA C 23 53.848 53.848 57.275 -3.427 18229 5374 1 9 . 1 1 23 23 SER CB C 23 64.810 64.810 63.205 1.605 18229 5375 1 9 . 1 1 23 23 SER H H 23 8.032 8.032 8.364 -0.332 18229 5376 1 9 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.477 0.307 18229 5377 1 9 . 1 1 24 24 PRO C C 24 174.825 174.825 175.850 -1.025 18229 5378 1 9 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.214 0.634 18229 5379 1 9 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.061 2.740 18229 5380 1 9 . 1 1 25 25 ALA N N 25 120.477 120.477 121.958 -1.481 18229 5381 1 9 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.296 0.219 18229 5382 1 9 . 1 1 25 25 ALA C C 25 175.878 175.878 176.840 -0.962 18229 5383 1 9 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.566 0.042 18229 5384 1 9 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.023 0.431 18229 5385 1 9 . 1 1 25 25 ALA H H 25 8.013 8.013 8.235 -0.222 18229 5386 1 9 . 1 1 26 26 GLU N N 26 115.417 115.417 114.450 0.967 18229 5387 1 9 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.232 -0.161 18229 5388 1 9 . 1 1 26 26 GLU C C 26 174.599 174.599 174.869 -0.270 18229 5389 1 9 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.678 -1.691 18229 5390 1 9 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.861 1.404 18229 5391 1 9 . 1 1 26 26 GLU H H 26 7.821 7.821 8.434 -0.613 18229 5392 1 9 . 1 1 27 27 LEU N N 27 124.622 124.622 120.584 4.038 18229 5393 1 9 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.206 -0.168 18229 5394 1 9 . 1 1 27 27 LEU C C 27 174.704 174.704 175.856 -1.152 18229 5395 1 9 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.345 0.412 18229 5396 1 9 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.937 0.709 18229 5397 1 9 . 1 1 27 27 LEU H H 27 8.863 8.863 8.978 -0.115 18229 5398 1 9 . 1 1 28 28 THR N N 28 121.755 121.755 118.333 3.422 18229 5399 1 9 . 1 1 28 28 THR HA H 28 5.152 5.152 4.936 0.216 18229 5400 1 9 . 1 1 28 28 THR C C 28 172.573 172.573 173.246 -0.673 18229 5401 1 9 . 1 1 28 28 THR CA C 28 61.452 61.452 62.251 -0.799 18229 5402 1 9 . 1 1 28 28 THR CB C 28 71.480 71.480 69.892 1.587 18229 5403 1 9 . 1 1 28 28 THR H H 28 9.276 9.276 8.910 0.366 18229 5404 1 9 . 1 1 29 29 TRP N N 29 128.764 128.764 130.779 -2.015 18229 5405 1 9 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.960 0.488 18229 5406 1 9 . 1 1 29 29 TRP C C 29 173.881 173.881 174.207 -0.326 18229 5407 1 9 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.303 -0.513 18229 5408 1 9 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.940 1.390 18229 5409 1 9 . 1 1 29 29 TRP H H 29 9.383 9.383 9.525 -0.142 18229 5410 1 9 . 1 1 30 30 ARG N N 30 126.417 126.417 129.313 -2.896 18229 5411 1 9 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.614 0.193 18229 5412 1 9 . 1 1 30 30 ARG C C 30 174.712 174.712 175.442 -0.730 18229 5413 1 9 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.781 -0.313 18229 5414 1 9 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.819 -0.001 18229 5415 1 9 . 1 1 30 30 ARG H H 30 7.579 7.579 9.122 -1.543 18229 5416 1 9 . 1 1 31 31 SER N N 31 118.415 118.415 121.657 -3.242 18229 5417 1 9 . 1 1 31 31 SER HA H 31 4.480 4.480 3.764 0.716 18229 5418 1 9 . 1 1 31 31 SER C C 31 176.360 176.360 175.239 1.121 18229 5419 1 9 . 1 1 31 31 SER CA C 31 58.070 58.070 60.343 -2.273 18229 5420 1 9 . 1 1 31 31 SER CB C 31 64.272 64.272 63.558 0.714 18229 5421 1 9 . 1 1 31 31 SER H H 31 8.078 8.078 8.667 -0.589 18229 5422 1 9 . 1 1 32 32 THR N N 32 119.175 119.175 117.743 1.432 18229 5423 1 9 . 1 1 32 32 THR HA H 32 3.847 3.847 4.072 -0.225 18229 5424 1 9 . 1 1 32 32 THR C C 32 175.602 175.602 175.439 0.163 18229 5425 1 9 . 1 1 32 32 THR CA C 32 66.265 66.265 65.884 0.381 18229 5426 1 9 . 1 1 32 32 THR CB C 32 68.557 68.557 69.118 -0.562 18229 5427 1 9 . 1 1 32 32 THR H H 32 8.520 8.520 8.291 0.229 18229 5428 1 9 . 1 1 33 33 ASP N N 33 117.286 117.286 119.708 -2.422 18229 5429 1 9 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.563 0.054 18229 5430 1 9 . 1 1 33 33 ASP C C 33 177.056 177.056 177.023 0.033 18229 5431 1 9 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.097 0.128 18229 5432 1 9 . 1 1 33 33 ASP CB C 33 40.878 40.878 40.243 0.635 18229 5433 1 9 . 1 1 33 33 ASP H H 33 8.223 8.223 8.295 -0.072 18229 5434 1 9 . 1 1 34 34 GLY N N 34 109.197 109.197 107.225 1.972 18229 5435 1 9 . 1 1 34 34 GLY C C 34 173.762 173.762 174.569 -0.807 18229 5436 1 9 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.035 0.364 18229 5437 1 9 . 1 1 34 34 GLY H H 34 7.914 7.914 7.740 0.174 18229 5438 1 9 . 1 1 35 35 ASP N N 35 118.081 118.081 120.123 -2.042 18229 5439 1 9 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.569 -0.050 18229 5440 1 9 . 1 1 35 35 ASP C C 35 175.366 175.366 175.813 -0.447 18229 5441 1 9 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.250 -0.390 18229 5442 1 9 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.503 -0.530 18229 5443 1 9 . 1 1 35 35 ASP H H 35 8.238 8.238 8.529 -0.291 18229 5444 1 9 . 1 1 36 36 LYS N N 36 120.362 120.362 113.830 6.532 18229 5445 1 9 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.463 0.371 18229 5446 1 9 . 1 1 36 36 LYS C C 36 174.568 174.568 173.337 1.231 18229 5447 1 9 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.523 0.013 18229 5448 1 9 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.862 0.917 18229 5449 1 9 . 1 1 36 36 LYS H H 36 7.749 7.749 7.732 0.017 18229 5450 1 9 . 1 1 37 37 VAL N N 37 121.758 121.758 119.277 2.481 18229 5451 1 9 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.193 0.078 18229 5452 1 9 . 1 1 37 37 VAL C C 37 175.209 175.209 174.149 1.060 18229 5453 1 9 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.631 -0.368 18229 5454 1 9 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.485 0.498 18229 5455 1 9 . 1 1 37 37 VAL H H 37 8.526 8.526 8.334 0.192 18229 5456 1 9 . 1 1 38 38 HIS N N 38 126.087 126.087 126.875 -0.788 18229 5457 1 9 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.971 0.050 18229 5458 1 9 . 1 1 38 38 HIS C C 38 173.116 173.116 174.418 -1.302 18229 5459 1 9 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.635 1.173 18229 5460 1 9 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.244 0.739 18229 5461 1 9 . 1 1 38 38 HIS H H 38 9.633 9.633 9.599 0.034 18229 5462 1 9 . 1 1 39 39 THR N N 39 124.455 124.455 119.899 4.556 18229 5463 1 9 . 1 1 39 39 THR HA H 39 5.155 5.155 5.207 -0.052 18229 5464 1 9 . 1 1 39 39 THR C C 39 173.102 173.102 173.477 -0.375 18229 5465 1 9 . 1 1 39 39 THR CA C 39 61.637 61.637 61.674 -0.037 18229 5466 1 9 . 1 1 39 39 THR CB C 39 70.716 70.716 69.933 0.783 18229 5467 1 9 . 1 1 39 39 THR H H 39 8.415 8.415 8.590 -0.175 18229 5468 1 9 . 1 1 40 40 VAL N N 40 126.066 126.066 124.425 1.641 18229 5469 1 9 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.164 -0.211 18229 5470 1 9 . 1 1 40 40 VAL C C 40 174.693 174.693 173.784 0.909 18229 5471 1 9 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.408 -0.060 18229 5472 1 9 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.960 -1.686 18229 5473 1 9 . 1 1 40 40 VAL H H 40 9.387 9.387 9.159 0.228 18229 5474 1 9 . 1 1 41 41 VAL N N 41 129.775 129.775 128.089 1.686 18229 5475 1 9 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.520 -0.532 18229 5476 1 9 . 1 1 41 41 VAL C C 41 179.424 179.424 177.019 2.405 18229 5477 1 9 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.264 3.480 18229 5478 1 9 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.487 0.464 18229 5479 1 9 . 1 1 41 41 VAL H H 41 9.021 9.021 8.814 0.207 18229 5480 1 9 . 1 1 42 42 LEU N N 42 129.645 129.645 128.545 1.100 18229 5481 1 9 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.101 -0.128 18229 5482 1 9 . 1 1 42 42 LEU C C 42 176.259 176.259 178.023 -1.764 18229 5483 1 9 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.569 1.074 18229 5484 1 9 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.139 -0.311 18229 5485 1 9 . 1 1 42 42 LEU H H 42 9.147 9.147 8.592 0.555 18229 5486 1 9 . 1 1 43 43 SER N N 43 110.158 110.158 111.683 -1.525 18229 5487 1 9 . 1 1 43 43 SER HA H 43 4.310 4.310 4.152 0.158 18229 5488 1 9 . 1 1 43 43 SER C C 43 175.263 175.263 176.154 -0.891 18229 5489 1 9 . 1 1 43 43 SER CA C 43 59.620 59.620 60.825 -1.205 18229 5490 1 9 . 1 1 43 43 SER CB C 43 61.543 61.543 63.714 -2.171 18229 5491 1 9 . 1 1 43 43 SER H H 43 7.006 7.006 8.025 -1.019 18229 5492 1 9 . 1 1 44 44 THR N N 44 110.206 110.206 115.620 -5.414 18229 5493 1 9 . 1 1 44 44 THR HA H 44 4.504 4.504 4.142 0.362 18229 5494 1 9 . 1 1 44 44 THR C C 44 173.489 173.489 175.718 -2.229 18229 5495 1 9 . 1 1 44 44 THR CA C 44 62.024 62.024 64.705 -2.681 18229 5496 1 9 . 1 1 44 44 THR CB C 44 69.805 69.805 68.696 1.109 18229 5497 1 9 . 1 1 44 44 THR H H 44 7.571 7.571 7.719 -0.148 18229 5498 1 9 . 1 1 45 45 ILE N N 45 120.322 120.322 123.995 -3.673 18229 5499 1 9 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.257 0.010 18229 5500 1 9 . 1 1 45 45 ILE C C 45 174.103 174.103 176.261 -2.158 18229 5501 1 9 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.588 -3.618 18229 5502 1 9 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.802 0.758 18229 5503 1 9 . 1 1 45 45 ILE H H 45 6.975 6.975 8.075 -1.100 18229 5504 1 9 . 1 1 46 46 ASP N N 46 126.492 126.492 128.124 -1.632 18229 5505 1 9 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.393 0.318 18229 5506 1 9 . 1 1 46 46 ASP C C 46 175.431 175.431 175.411 0.020 18229 5507 1 9 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.506 -1.673 18229 5508 1 9 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.853 2.682 18229 5509 1 9 . 1 1 46 46 ASP H H 46 9.262 9.262 8.873 0.389 18229 5510 1 9 . 1 1 47 47 LYS N N 47 112.726 112.726 112.953 -0.227 18229 5511 1 9 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.465 0.242 18229 5512 1 9 . 1 1 47 47 LYS C C 47 172.673 172.673 173.991 -1.318 18229 5513 1 9 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.514 -0.694 18229 5514 1 9 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.357 2.252 18229 5515 1 9 . 1 1 47 47 LYS H H 47 7.572 7.572 7.383 0.189 18229 5516 1 9 . 1 1 48 48 LEU N N 48 124.840 124.840 123.069 1.771 18229 5517 1 9 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.970 0.081 18229 5518 1 9 . 1 1 48 48 LEU C C 48 173.965 173.965 175.696 -1.731 18229 5519 1 9 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.251 -1.231 18229 5520 1 9 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.107 2.457 18229 5521 1 9 . 1 1 48 48 LEU H H 48 9.013 9.013 8.448 0.565 18229 5522 1 9 . 1 1 49 49 GLN N N 49 121.648 121.648 126.580 -4.932 18229 5523 1 9 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.709 0.809 18229 5524 1 9 . 1 1 49 49 GLN C C 49 174.700 174.700 173.888 0.812 18229 5525 1 9 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.413 -0.814 18229 5526 1 9 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.912 1.114 18229 5527 1 9 . 1 1 49 49 GLN H H 49 9.260 9.260 9.318 -0.058 18229 5528 1 9 . 1 1 50 50 ALA N N 50 122.020 122.020 125.122 -3.102 18229 5529 1 9 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.132 0.615 18229 5530 1 9 . 1 1 50 50 ALA C C 50 177.167 177.167 176.177 0.990 18229 5531 1 9 . 1 1 50 50 ALA CA C 50 50.592 50.592 50.928 -0.336 18229 5532 1 9 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.294 2.069 18229 5533 1 9 . 1 1 50 50 ALA H H 50 9.286 9.286 8.345 0.941 18229 5534 1 9 . 1 1 51 51 THR N N 51 114.222 114.222 115.041 -0.819 18229 5535 1 9 . 1 1 51 51 THR HA H 51 4.735 4.735 4.426 0.309 18229 5536 1 9 . 1 1 51 51 THR CA C 51 59.228 59.228 60.817 -1.589 18229 5537 1 9 . 1 1 51 51 THR CB C 51 67.954 67.954 68.080 -0.126 18229 5538 1 9 . 1 1 51 51 THR H H 51 8.340 8.340 8.855 -0.515 18229 5539 1 9 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.497 0.073 18229 5540 1 9 . 1 1 52 52 PRO C C 52 178.621 178.621 177.551 1.070 18229 5541 1 9 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.243 0.185 18229 5542 1 9 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.635 0.084 18229 5543 1 9 . 1 1 53 53 ALA N N 53 126.566 126.566 123.430 3.136 18229 5544 1 9 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.126 -0.071 18229 5545 1 9 . 1 1 53 53 ALA C C 53 177.578 177.578 178.819 -1.241 18229 5546 1 9 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.452 0.368 18229 5547 1 9 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.683 -0.826 18229 5548 1 9 . 1 1 53 53 ALA H H 53 9.109 9.109 8.480 0.629 18229 5549 1 9 . 1 1 54 54 SER N N 54 107.184 107.184 111.997 -4.813 18229 5550 1 9 . 1 1 54 54 SER HA H 54 4.235 4.235 4.342 -0.107 18229 5551 1 9 . 1 1 54 54 SER C C 54 174.838 174.838 174.351 0.487 18229 5552 1 9 . 1 1 54 54 SER CA C 54 58.116 58.116 59.089 -0.973 18229 5553 1 9 . 1 1 54 54 SER CB C 54 63.021 63.021 63.191 -0.169 18229 5554 1 9 . 1 1 54 54 SER H H 54 7.595 7.595 8.090 -0.495 18229 5555 1 9 . 1 1 55 55 SER N N 55 117.098 117.098 116.561 0.537 18229 5556 1 9 . 1 1 55 55 SER HA H 55 4.484 4.484 4.536 -0.052 18229 5557 1 9 . 1 1 55 55 SER C C 55 174.833 174.833 174.695 0.138 18229 5558 1 9 . 1 1 55 55 SER CA C 55 57.510 57.510 57.261 0.249 18229 5559 1 9 . 1 1 55 55 SER CB C 55 64.121 64.121 63.815 0.306 18229 5560 1 9 . 1 1 55 55 SER H H 55 7.613 7.613 7.478 0.135 18229 5561 1 9 . 1 1 56 56 GLU N N 56 125.258 125.258 126.545 -1.287 18229 5562 1 9 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.076 0.053 18229 5563 1 9 . 1 1 56 56 GLU C C 56 177.852 177.852 176.835 1.017 18229 5564 1 9 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.015 -0.403 18229 5565 1 9 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.611 -0.187 18229 5566 1 9 . 1 1 56 56 GLU H H 56 8.849 8.849 8.773 0.076 18229 5567 1 9 . 1 1 57 57 LYS N N 57 119.058 119.058 119.849 -0.791 18229 5568 1 9 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.376 -0.077 18229 5569 1 9 . 1 1 57 57 LYS C C 57 175.699 175.699 175.403 0.296 18229 5570 1 9 . 1 1 57 57 LYS CA C 57 55.645 55.645 54.945 0.700 18229 5571 1 9 . 1 1 57 57 LYS CB C 57 33.270 33.270 31.403 1.867 18229 5572 1 9 . 1 1 57 57 LYS H H 57 8.060 8.060 7.339 0.721 18229 5573 1 9 . 1 1 58 58 MET N N 58 123.967 123.967 125.472 -1.505 18229 5574 1 9 . 1 1 58 58 MET HA H 58 4.345 4.345 4.548 -0.203 18229 5575 1 9 . 1 1 58 58 MET C C 58 174.213 174.213 175.559 -1.346 18229 5576 1 9 . 1 1 58 58 MET CA C 58 55.170 55.170 55.658 -0.488 18229 5577 1 9 . 1 1 58 58 MET CB C 58 35.330 35.330 32.865 2.465 18229 5578 1 9 . 1 1 58 58 MET H H 58 8.828 8.828 8.336 0.492 18229 5579 1 9 . 1 1 59 59 MET N N 59 120.929 120.929 121.465 -0.536 18229 5580 1 9 . 1 1 59 59 MET HA H 59 5.905 5.905 5.340 0.565 18229 5581 1 9 . 1 1 59 59 MET C C 59 174.521 174.521 174.037 0.484 18229 5582 1 9 . 1 1 59 59 MET CA C 59 55.038 55.038 55.306 -0.268 18229 5583 1 9 . 1 1 59 59 MET CB C 59 39.549 39.549 37.725 1.824 18229 5584 1 9 . 1 1 59 59 MET H H 59 8.528 8.528 9.397 -0.869 18229 5585 1 9 . 1 1 60 60 LEU N N 60 117.623 117.623 121.657 -4.034 18229 5586 1 9 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.124 0.541 18229 5587 1 9 . 1 1 60 60 LEU C C 60 175.763 175.763 175.157 0.606 18229 5588 1 9 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.731 -0.546 18229 5589 1 9 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.080 2.481 18229 5590 1 9 . 1 1 60 60 LEU H H 60 9.052 9.052 9.558 -0.506 18229 5591 1 9 . 1 1 61 61 ARG N N 61 120.407 120.407 121.634 -1.227 18229 5592 1 9 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.640 -0.169 18229 5593 1 9 . 1 1 61 61 ARG C C 61 173.286 173.286 174.088 -0.802 18229 5594 1 9 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.710 0.221 18229 5595 1 9 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.354 -0.019 18229 5596 1 9 . 1 1 61 61 ARG H H 61 9.180 9.180 9.531 -0.351 18229 5597 1 9 . 1 1 62 62 LEU N N 62 126.471 126.471 125.388 1.083 18229 5598 1 9 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.232 -0.034 18229 5599 1 9 . 1 1 62 62 LEU C C 62 175.447 175.447 175.962 -0.515 18229 5600 1 9 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.340 0.068 18229 5601 1 9 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.750 -1.317 18229 5602 1 9 . 1 1 62 62 LEU H H 62 9.203 9.203 9.240 -0.037 18229 5603 1 9 . 1 1 63 63 ILE N N 63 123.282 123.282 123.548 -0.266 18229 5604 1 9 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.271 0.426 18229 5605 1 9 . 1 1 63 63 ILE C C 63 176.525 176.525 176.707 -0.182 18229 5606 1 9 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.272 0.404 18229 5607 1 9 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.986 0.719 18229 5608 1 9 . 1 1 63 63 ILE H H 63 8.983 8.983 8.936 0.047 18229 5609 1 9 . 1 1 64 64 GLY N N 64 115.647 115.647 110.066 5.581 18229 5610 1 9 . 1 1 64 64 GLY C C 64 172.300 172.300 172.977 -0.677 18229 5611 1 9 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.730 1.932 18229 5612 1 9 . 1 1 64 64 GLY H H 64 9.372 9.372 8.980 0.392 18229 5613 1 9 . 1 1 65 65 LYS N N 65 119.107 119.107 124.599 -5.492 18229 5614 1 9 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.037 0.269 18229 5615 1 9 . 1 1 65 65 LYS C C 65 177.404 177.404 176.161 1.243 18229 5616 1 9 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.712 -1.211 18229 5617 1 9 . 1 1 65 65 LYS CB C 65 34.418 34.418 33.039 1.379 18229 5618 1 9 . 1 1 65 65 LYS H H 65 8.289 8.289 7.881 0.408 18229 5619 1 9 . 1 1 66 66 VAL N N 66 122.231 122.231 122.691 -0.460 18229 5620 1 9 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.162 -0.083 18229 5621 1 9 . 1 1 66 66 VAL C C 66 175.253 175.253 176.312 -1.059 18229 5622 1 9 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.315 0.821 18229 5623 1 9 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.778 -0.493 18229 5624 1 9 . 1 1 66 66 VAL H H 66 8.607 8.607 8.126 0.481 18229 5625 1 9 . 1 1 67 67 ASP N N 67 125.538 125.538 125.361 0.177 18229 5626 1 9 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.708 -0.009 18229 5627 1 9 . 1 1 67 67 ASP C C 67 176.601 176.601 175.752 0.849 18229 5628 1 9 . 1 1 67 67 ASP CA C 67 53.058 53.058 52.867 0.191 18229 5629 1 9 . 1 1 67 67 ASP CB C 67 40.872 40.872 39.568 1.304 18229 5630 1 9 . 1 1 67 67 ASP H H 67 8.457 8.457 8.831 -0.374 18229 5631 1 9 . 1 1 68 68 GLU N N 68 124.433 124.433 119.213 5.220 18229 5632 1 9 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.338 -0.214 18229 5633 1 9 . 1 1 68 68 GLU C C 68 177.344 177.344 175.985 1.359 18229 5634 1 9 . 1 1 68 68 GLU CA C 68 57.635 57.635 56.202 1.433 18229 5635 1 9 . 1 1 68 68 GLU CB C 68 29.680 29.680 27.888 1.792 18229 5636 1 9 . 1 1 68 68 GLU H H 68 8.712 8.712 8.066 0.646 18229 5637 1 9 . 1 1 69 69 SER N N 69 115.596 115.596 113.934 1.662 18229 5638 1 9 . 1 1 69 69 SER HA H 69 4.328 4.328 4.544 -0.216 18229 5639 1 9 . 1 1 69 69 SER C C 69 175.180 175.180 175.478 -0.298 18229 5640 1 9 . 1 1 69 69 SER CA C 69 60.146 60.146 58.271 1.875 18229 5641 1 9 . 1 1 69 69 SER CB C 69 63.383 63.383 63.301 0.082 18229 5642 1 9 . 1 1 69 69 SER H H 69 8.467 8.467 7.748 0.719 18229 5643 1 9 . 1 1 70 70 LYS N N 70 121.738 121.738 120.924 0.814 18229 5644 1 9 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.326 0.080 18229 5645 1 9 . 1 1 70 70 LYS C C 70 176.165 176.165 176.552 -0.387 18229 5646 1 9 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.573 -1.163 18229 5647 1 9 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.171 -0.671 18229 5648 1 9 . 1 1 70 70 LYS H H 70 7.675 7.675 7.578 0.097 18229 5649 1 9 . 1 1 71 71 LYS N N 71 121.087 121.087 117.470 3.617 18229 5650 1 9 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.078 0.330 18229 5651 1 9 . 1 1 71 71 LYS C C 71 176.134 176.134 175.566 0.568 18229 5652 1 9 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.939 -0.334 18229 5653 1 9 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.497 1.786 18229 5654 1 9 . 1 1 71 71 LYS H H 71 7.739 7.739 8.208 -0.469 18229 5655 1 9 . 1 1 72 72 ARG N N 72 122.147 122.147 121.133 1.014 18229 5656 1 9 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.386 0.198 18229 5657 1 9 . 1 1 72 72 ARG C C 72 175.217 175.217 175.891 -0.674 18229 5658 1 9 . 1 1 72 72 ARG CA C 72 55.041 55.041 55.096 -0.055 18229 5659 1 9 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.100 0.254 18229 5660 1 9 . 1 1 72 72 ARG H H 72 8.402 8.402 8.253 0.149 18229 5661 1 9 . 1 1 73 73 LYS N N 73 121.242 121.242 118.956 2.286 18229 5662 1 9 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.523 0.376 18229 5663 1 9 . 1 1 73 73 LYS C C 73 176.966 176.966 175.372 1.594 18229 5664 1 9 . 1 1 73 73 LYS CA C 73 55.365 55.365 55.857 -0.492 18229 5665 1 9 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.318 0.313 18229 5666 1 9 . 1 1 73 73 LYS H H 73 8.386 8.386 8.190 0.196 18229 5667 1 9 . 1 1 74 74 ASP N N 74 122.007 122.007 118.814 3.193 18229 5668 1 9 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.698 -0.047 18229 5669 1 9 . 1 1 74 74 ASP C C 74 177.401 177.401 175.683 1.718 18229 5670 1 9 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.674 -2.834 18229 5671 1 9 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.653 -0.645 18229 5672 1 9 . 1 1 74 74 ASP H H 74 8.559 8.559 8.474 0.085 18229 5673 1 9 . 1 1 75 75 ASN N N 75 116.263 116.263 115.377 0.886 18229 5674 1 9 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.660 -0.125 18229 5675 1 9 . 1 1 75 75 ASN C C 75 175.944 175.944 174.155 1.789 18229 5676 1 9 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.244 1.633 18229 5677 1 9 . 1 1 75 75 ASN CB C 75 38.110 38.110 39.221 -1.111 18229 5678 1 9 . 1 1 75 75 ASN H H 75 8.414 8.414 8.151 0.263 18229 5679 1 9 . 1 1 76 76 GLU N N 76 118.940 118.940 120.733 -1.793 18229 5680 1 9 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.486 -0.093 18229 5681 1 9 . 1 1 76 76 GLU C C 76 176.512 176.512 176.209 0.303 18229 5682 1 9 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.823 0.343 18229 5683 1 9 . 1 1 76 76 GLU CB C 76 30.010 30.010 30.043 -0.033 18229 5684 1 9 . 1 1 76 76 GLU H H 76 8.133 8.133 8.365 -0.232 18229 5685 1 9 . 1 1 77 77 GLY N N 77 108.056 108.056 108.606 -0.550 18229 5686 1 9 . 1 1 77 77 GLY C C 77 174.193 174.193 173.982 0.211 18229 5687 1 9 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.404 -0.117 18229 5688 1 9 . 1 1 77 77 GLY H H 77 8.083 8.083 8.214 -0.131 18229 5689 1 9 . 1 1 78 78 ASN N N 78 119.896 119.896 118.142 1.754 18229 5690 1 9 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.525 0.217 18229 5691 1 9 . 1 1 78 78 ASN C C 78 175.006 175.006 174.628 0.378 18229 5692 1 9 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.942 -1.115 18229 5693 1 9 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.211 -0.215 18229 5694 1 9 . 1 1 78 78 ASN H H 78 8.537 8.537 8.085 0.452 18229 5695 1 9 . 1 1 79 79 GLU N N 79 121.648 121.648 118.210 3.438 18229 5696 1 9 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.720 -0.249 18229 5697 1 9 . 1 1 79 79 GLU C C 79 176.268 176.268 175.974 0.294 18229 5698 1 9 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.491 1.119 18229 5699 1 9 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.785 -1.478 18229 5700 1 9 . 1 1 79 79 GLU H H 79 8.674 8.674 8.457 0.217 18229 5701 1 9 . 1 1 80 80 VAL N N 80 124.083 124.083 124.330 -0.247 18229 5702 1 9 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.081 0.167 18229 5703 1 9 . 1 1 80 80 VAL C C 80 175.537 175.537 175.488 0.049 18229 5704 1 9 . 1 1 80 80 VAL CA C 80 61.465 61.465 62.731 -1.266 18229 5705 1 9 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.843 0.710 18229 5706 1 9 . 1 1 80 80 VAL H H 80 8.554 8.554 9.087 -0.533 18229 5707 1 9 . 1 1 81 81 VAL N N 81 126.640 126.640 117.964 8.676 18229 5708 1 9 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.840 0.587 18229 5709 1 9 . 1 1 81 81 VAL CA C 81 59.605 59.605 62.004 -2.399 18229 5710 1 9 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.358 1.518 18229 5711 1 9 . 1 1 81 81 VAL H H 81 8.390 8.390 8.201 0.189 18229 5712 1 9 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.358 0.069 18229 5713 1 9 . 1 1 82 82 PRO C C 82 176.034 176.034 175.779 0.255 18229 5714 1 9 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.313 -0.603 18229 5715 1 9 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.236 0.116 18229 5716 1 9 . 1 1 83 83 LYS N N 83 121.719 121.719 123.761 -2.042 18229 5717 1 9 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.281 0.267 18229 5718 1 9 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.349 -1.494 18229 5719 1 9 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.191 0.139 18229 5720 1 9 . 1 1 83 83 LYS H H 83 8.308 8.308 8.299 0.009 18229 5721 1 9 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.476 -0.180 18229 5722 1 9 . 1 1 84 84 PRO C C 84 176.773 176.773 176.023 0.750 18229 5723 1 9 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.694 -0.138 18229 5724 1 9 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.659 -0.041 18229 5725 1 9 . 1 1 85 85 GLN N N 85 121.395 121.395 122.507 -1.112 18229 5726 1 9 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.477 -0.336 18229 5727 1 9 . 1 1 85 85 GLN C C 85 174.940 174.940 174.664 0.276 18229 5728 1 9 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.605 0.457 18229 5729 1 9 . 1 1 85 85 GLN CB C 85 29.730 29.730 30.880 -1.149 18229 5730 1 9 . 1 1 85 85 GLN H H 85 8.464 8.464 8.630 -0.166 18229 5731 1 9 . 1 1 86 86 ARG N N 86 121.035 121.035 118.630 2.405 18229 5732 1 9 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.780 0.347 18229 5733 1 9 . 1 1 86 86 ARG C C 86 175.052 175.052 174.677 0.375 18229 5734 1 9 . 1 1 86 86 ARG CA C 86 54.534 54.534 55.253 -0.719 18229 5735 1 9 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.826 0.507 18229 5736 1 9 . 1 1 86 86 ARG H H 86 8.248 8.248 8.251 -0.003 18229 5737 1 9 . 1 1 87 87 HIS N N 87 120.780 120.780 121.481 -0.701 18229 5738 1 9 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.619 0.063 18229 5739 1 9 . 1 1 87 87 HIS C C 87 173.558 173.558 173.740 -0.182 18229 5740 1 9 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.740 -0.548 18229 5741 1 9 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.736 2.318 18229 5742 1 9 . 1 1 87 87 HIS H H 87 8.659 8.659 9.050 -0.391 18229 5743 1 9 . 1 1 88 88 MET N N 88 126.780 126.780 122.435 4.345 18229 5744 1 9 . 1 1 88 88 MET HA H 88 5.283 5.283 4.426 0.857 18229 5745 1 9 . 1 1 88 88 MET C C 88 173.297 173.297 173.634 -0.337 18229 5746 1 9 . 1 1 88 88 MET CA C 88 54.835 54.835 54.743 0.092 18229 5747 1 9 . 1 1 88 88 MET CB C 88 35.794 35.794 34.601 1.193 18229 5748 1 9 . 1 1 88 88 MET H H 88 8.710 8.710 8.270 0.440 18229 5749 1 9 . 1 1 89 89 PHE N N 89 122.543 122.543 122.273 0.270 18229 5750 1 9 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.215 -0.020 18229 5751 1 9 . 1 1 89 89 PHE C C 89 174.410 174.410 174.900 -0.490 18229 5752 1 9 . 1 1 89 89 PHE CA C 89 56.379 56.379 56.327 0.052 18229 5753 1 9 . 1 1 89 89 PHE CB C 89 44.189 44.189 42.046 2.143 18229 5754 1 9 . 1 1 89 89 PHE H H 89 8.969 8.969 9.234 -0.265 18229 5755 1 9 . 1 1 90 90 SER N N 90 116.192 116.192 120.138 -3.946 18229 5756 1 9 . 1 1 90 90 SER HA H 90 5.696 5.696 4.860 0.836 18229 5757 1 9 . 1 1 90 90 SER C C 90 173.030 173.030 173.997 -0.967 18229 5758 1 9 . 1 1 90 90 SER CA C 90 56.771 56.771 58.408 -1.637 18229 5759 1 9 . 1 1 90 90 SER CB C 90 64.961 64.961 63.513 1.448 18229 5760 1 9 . 1 1 90 90 SER H H 90 8.657 8.657 8.568 0.089 18229 5761 1 9 . 1 1 91 91 PHE N N 91 120.710 120.710 125.181 -4.471 18229 5762 1 9 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.624 0.263 18229 5763 1 9 . 1 1 91 91 PHE C C 91 174.442 174.442 175.533 -1.091 18229 5764 1 9 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.403 -0.978 18229 5765 1 9 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.558 2.834 18229 5766 1 9 . 1 1 91 91 PHE H H 91 9.001 9.001 8.593 0.408 18229 5767 1 9 . 1 1 92 92 ASN N N 92 115.967 115.967 119.891 -3.924 18229 5768 1 9 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.812 0.295 18229 5769 1 9 . 1 1 92 92 ASN C C 92 174.835 174.835 173.700 1.135 18229 5770 1 9 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.828 -0.577 18229 5771 1 9 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.035 0.854 18229 5772 1 9 . 1 1 92 92 ASN H H 92 9.093 9.093 8.799 0.294 18229 5773 1 9 . 1 1 93 93 ASN N N 93 118.401 118.401 116.339 2.062 18229 5774 1 9 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.834 0.088 18229 5775 1 9 . 1 1 93 93 ASN C C 93 174.524 174.524 174.356 0.168 18229 5776 1 9 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.335 -0.322 18229 5777 1 9 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.341 1.420 18229 5778 1 9 . 1 1 93 93 ASN H H 93 7.252 7.252 7.905 -0.653 18229 5779 1 9 . 1 1 94 94 ARG N N 94 129.175 129.175 124.409 4.766 18229 5780 1 9 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.026 -0.161 18229 5781 1 9 . 1 1 94 94 ARG C C 94 176.797 176.797 177.434 -0.637 18229 5782 1 9 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.264 0.219 18229 5783 1 9 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.068 0.061 18229 5784 1 9 . 1 1 94 94 ARG H H 94 9.309 9.309 8.999 0.310 18229 5785 1 9 . 1 1 95 95 THR N N 95 115.594 115.594 113.641 1.953 18229 5786 1 9 . 1 1 95 95 THR HA H 95 4.021 4.021 4.136 -0.115 18229 5787 1 9 . 1 1 95 95 THR C C 95 176.735 176.735 176.058 0.677 18229 5788 1 9 . 1 1 95 95 THR CA C 95 66.430 66.430 66.746 -0.316 18229 5789 1 9 . 1 1 95 95 THR CB C 95 68.357 68.357 68.517 -0.160 18229 5790 1 9 . 1 1 95 95 THR H H 95 7.973 7.973 8.167 -0.194 18229 5791 1 9 . 1 1 96 96 VAL N N 96 121.833 121.833 121.523 0.310 18229 5792 1 9 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.850 -0.067 18229 5793 1 9 . 1 1 96 96 VAL C C 96 177.561 177.561 177.959 -0.398 18229 5794 1 9 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.174 -0.049 18229 5795 1 9 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.163 1.038 18229 5796 1 9 . 1 1 96 96 VAL H H 96 7.565 7.565 7.638 -0.073 18229 5797 1 9 . 1 1 97 97 MET N N 97 117.429 117.429 118.234 -0.805 18229 5798 1 9 . 1 1 97 97 MET HA H 97 4.551 4.551 3.227 1.324 18229 5799 1 9 . 1 1 97 97 MET C C 97 177.257 177.257 177.694 -0.437 18229 5800 1 9 . 1 1 97 97 MET CA C 97 59.753 59.753 58.601 1.152 18229 5801 1 9 . 1 1 97 97 MET CB C 97 32.515 32.515 31.550 0.965 18229 5802 1 9 . 1 1 97 97 MET H H 97 7.336 7.336 8.565 -1.229 18229 5803 1 9 . 1 1 98 98 ASP N N 98 118.159 118.159 119.218 -1.059 18229 5804 1 9 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.377 -0.062 18229 5805 1 9 . 1 1 98 98 ASP C C 98 178.771 178.771 177.844 0.927 18229 5806 1 9 . 1 1 98 98 ASP CA C 98 57.604 57.604 56.609 0.994 18229 5807 1 9 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.485 -0.821 18229 5808 1 9 . 1 1 98 98 ASP H H 98 8.712 8.712 8.022 0.690 18229 5809 1 9 . 1 1 99 99 ASN N N 99 120.354 120.354 118.162 2.192 18229 5810 1 9 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.686 -0.206 18229 5811 1 9 . 1 1 99 99 ASN C C 99 178.232 178.232 177.581 0.651 18229 5812 1 9 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.523 0.777 18229 5813 1 9 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.532 -1.084 18229 5814 1 9 . 1 1 99 99 ASN H H 99 8.084 8.084 7.534 0.550 18229 5815 1 9 . 1 1 100 100 ILE N N 100 120.990 120.990 121.357 -0.367 18229 5816 1 9 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.957 -0.320 18229 5817 1 9 . 1 1 100 100 ILE C C 100 177.463 177.463 178.265 -0.802 18229 5818 1 9 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.975 -2.202 18229 5819 1 9 . 1 1 100 100 ILE CB C 100 35.467 35.467 36.849 -1.382 18229 5820 1 9 . 1 1 100 100 ILE H H 100 8.017 8.017 8.861 -0.844 18229 5821 1 9 . 1 1 101 101 LYS N N 101 120.814 120.814 118.487 2.327 18229 5822 1 9 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.889 -0.254 18229 5823 1 9 . 1 1 101 101 LYS C C 101 177.365 177.365 179.149 -1.784 18229 5824 1 9 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.432 1.204 18229 5825 1 9 . 1 1 101 101 LYS CB C 101 32.991 32.991 31.932 1.059 18229 5826 1 9 . 1 1 101 101 LYS H H 101 8.944 8.944 8.027 0.917 18229 5827 1 9 . 1 1 102 102 MET N N 102 116.514 116.514 118.031 -1.517 18229 5828 1 9 . 1 1 102 102 MET HA H 102 4.209 4.209 4.325 -0.116 18229 5829 1 9 . 1 1 102 102 MET C C 102 178.925 178.925 178.050 0.875 18229 5830 1 9 . 1 1 102 102 MET CA C 102 58.720 58.720 58.948 -0.228 18229 5831 1 9 . 1 1 102 102 MET CB C 102 32.299 32.299 33.018 -0.719 18229 5832 1 9 . 1 1 102 102 MET H H 102 8.123 8.123 7.654 0.469 18229 5833 1 9 . 1 1 103 103 THR N N 103 118.583 118.583 117.642 0.941 18229 5834 1 9 . 1 1 103 103 THR HA H 103 3.882 3.882 4.226 -0.344 18229 5835 1 9 . 1 1 103 103 THR C C 103 176.474 176.474 177.002 -0.528 18229 5836 1 9 . 1 1 103 103 THR CA C 103 66.489 66.489 65.968 0.521 18229 5837 1 9 . 1 1 103 103 THR CB C 103 67.864 67.864 68.270 -0.406 18229 5838 1 9 . 1 1 103 103 THR H H 103 7.768 7.768 8.497 -0.729 18229 5839 1 9 . 1 1 104 104 LEU N N 104 119.575 119.575 120.681 -1.106 18229 5840 1 9 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.881 0.001 18229 5841 1 9 . 1 1 104 104 LEU C C 104 177.935 177.935 179.196 -1.261 18229 5842 1 9 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.650 -0.674 18229 5843 1 9 . 1 1 104 104 LEU CB C 104 42.322 42.322 40.941 1.381 18229 5844 1 9 . 1 1 104 104 LEU H H 104 8.537 8.537 8.569 -0.032 18229 5845 1 9 . 1 1 105 105 GLN N N 105 119.463 119.463 117.774 1.689 18229 5846 1 9 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.799 -0.090 18229 5847 1 9 . 1 1 105 105 GLN C C 105 178.507 178.507 178.265 0.242 18229 5848 1 9 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.252 0.489 18229 5849 1 9 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.410 0.229 18229 5850 1 9 . 1 1 105 105 GLN H H 105 8.736 8.736 7.791 0.945 18229 5851 1 9 . 1 1 106 106 GLN N N 106 118.984 118.984 119.329 -0.345 18229 5852 1 9 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.000 -0.024 18229 5853 1 9 . 1 1 106 106 GLN C C 106 178.454 178.454 178.435 0.019 18229 5854 1 9 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.682 0.336 18229 5855 1 9 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.351 0.101 18229 5856 1 9 . 1 1 106 106 GLN H H 106 7.689 7.689 8.229 -0.540 18229 5857 1 9 . 1 1 107 107 ILE N N 107 119.928 119.928 120.201 -0.273 18229 5858 1 9 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.838 -0.375 18229 5859 1 9 . 1 1 107 107 ILE C C 107 177.492 177.492 178.000 -0.508 18229 5860 1 9 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.219 1.223 18229 5861 1 9 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.358 1.137 18229 5862 1 9 . 1 1 107 107 ILE H H 107 7.910 7.910 7.506 0.404 18229 5863 1 9 . 1 1 108 108 ILE N N 108 117.958 117.958 121.755 -3.797 18229 5864 1 9 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.447 2.312 18229 5865 1 9 . 1 1 108 108 ILE C C 108 178.625 178.625 177.711 0.914 18229 5866 1 9 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.777 0.802 18229 5867 1 9 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.585 1.667 18229 5868 1 9 . 1 1 108 108 ILE H H 108 8.767 8.767 8.429 0.338 18229 5869 1 9 . 1 1 109 109 SER N N 109 113.450 113.450 114.904 -1.454 18229 5870 1 9 . 1 1 109 109 SER HA H 109 4.271 4.271 3.948 0.323 18229 5871 1 9 . 1 1 109 109 SER C C 109 175.966 175.966 176.475 -0.509 18229 5872 1 9 . 1 1 109 109 SER CA C 109 62.205 62.205 61.383 0.822 18229 5873 1 9 . 1 1 109 109 SER CB C 109 63.094 63.094 62.459 0.635 18229 5874 1 9 . 1 1 109 109 SER H H 109 7.797 7.797 8.250 -0.453 18229 5875 1 9 . 1 1 110 110 ARG N N 110 120.739 120.739 121.293 -0.554 18229 5876 1 9 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.144 -0.025 18229 5877 1 9 . 1 1 110 110 ARG C C 110 179.056 179.056 179.121 -0.065 18229 5878 1 9 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.793 0.027 18229 5879 1 9 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.180 -0.381 18229 5880 1 9 . 1 1 110 110 ARG H H 110 7.450 7.450 8.144 -0.694 18229 5881 1 9 . 1 1 111 111 TYR N N 111 117.972 117.972 119.188 -1.216 18229 5882 1 9 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.322 0.384 18229 5883 1 9 . 1 1 111 111 TYR C C 111 177.853 177.853 177.874 -0.021 18229 5884 1 9 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.163 0.450 18229 5885 1 9 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.405 -0.097 18229 5886 1 9 . 1 1 111 111 TYR H H 111 7.558 7.558 8.435 -0.877 18229 5887 1 9 . 1 1 112 112 LYS N N 112 120.615 120.615 118.103 2.512 18229 5888 1 9 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.180 0.201 18229 5889 1 9 . 1 1 112 112 LYS C C 112 177.893 177.893 177.997 -0.104 18229 5890 1 9 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.601 -0.012 18229 5891 1 9 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.054 0.549 18229 5892 1 9 . 1 1 112 112 LYS H H 112 8.080 8.080 7.483 0.597 18229 5893 1 9 . 1 1 113 113 ASP N N 113 120.325 120.325 120.080 0.245 18229 5894 1 9 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.491 0.153 18229 5895 1 9 . 1 1 113 113 ASP C C 113 176.950 176.950 177.176 -0.226 18229 5896 1 9 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.870 -0.607 18229 5897 1 9 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.808 0.083 18229 5898 1 9 . 1 1 113 113 ASP H H 113 8.191 8.191 8.266 -0.075 18229 5899 1 9 . 1 1 114 114 ALA N N 114 122.906 122.906 120.658 2.248 18229 5900 1 9 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.340 0.008 18229 5901 1 9 . 1 1 114 114 ALA C C 114 178.055 178.055 177.972 0.083 18229 5902 1 9 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.004 1.170 18229 5903 1 9 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.639 -0.539 18229 5904 1 9 . 1 1 114 114 ALA H H 114 7.900 7.900 7.645 0.255 18229 5905 1 10 . 1 1 2 2 SER N N 2 113.055 113.055 113.633 -0.578 18229 5906 1 10 . 1 1 2 2 SER HA H 2 4.418 4.418 4.528 -0.110 18229 5907 1 10 . 1 1 2 2 SER C C 2 174.994 174.994 174.983 0.011 18229 5908 1 10 . 1 1 2 2 SER CA C 2 58.540 58.540 58.926 -0.386 18229 5909 1 10 . 1 1 2 2 SER CB C 2 63.748 63.748 64.183 -0.436 18229 5910 1 10 . 1 1 2 2 SER H H 2 8.061 8.061 8.235 -0.174 18229 5911 1 10 . 1 1 3 3 HIS N N 3 119.062 119.062 118.767 0.295 18229 5912 1 10 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.450 0.285 18229 5913 1 10 . 1 1 3 3 HIS C C 3 173.417 173.417 173.896 -0.479 18229 5914 1 10 . 1 1 3 3 HIS CA C 3 55.304 55.304 56.504 -1.200 18229 5915 1 10 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.585 -0.038 18229 5916 1 10 . 1 1 3 3 HIS H H 3 8.410 8.410 8.343 0.067 18229 5917 1 10 . 1 1 4 4 SER N N 4 113.520 113.520 112.081 1.439 18229 5918 1 10 . 1 1 4 4 SER HA H 4 5.516 5.516 4.958 0.558 18229 5919 1 10 . 1 1 4 4 SER C C 4 173.602 173.602 172.808 0.794 18229 5920 1 10 . 1 1 4 4 SER CA C 4 57.005 57.005 57.335 -0.330 18229 5921 1 10 . 1 1 4 4 SER CB C 4 65.989 65.989 66.602 -0.613 18229 5922 1 10 . 1 1 4 4 SER H H 4 7.817 7.817 7.557 0.260 18229 5923 1 10 . 1 1 5 5 GLY N N 5 106.959 106.959 106.525 0.434 18229 5924 1 10 . 1 1 5 5 GLY C C 5 171.058 171.058 172.080 -1.022 18229 5925 1 10 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.776 -0.305 18229 5926 1 10 . 1 1 5 5 GLY H H 5 8.356 8.356 8.859 -0.503 18229 5927 1 10 . 1 1 6 6 ALA N N 6 125.264 125.264 123.826 1.438 18229 5928 1 10 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.564 0.397 18229 5929 1 10 . 1 1 6 6 ALA C C 6 176.831 176.831 175.889 0.942 18229 5930 1 10 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.721 1.024 18229 5931 1 10 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.232 -0.852 18229 5932 1 10 . 1 1 6 6 ALA H H 6 8.641 8.641 8.536 0.105 18229 5933 1 10 . 1 1 7 7 ALA N N 7 119.937 119.937 122.330 -2.393 18229 5934 1 10 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.354 0.301 18229 5935 1 10 . 1 1 7 7 ALA C C 7 176.683 176.683 175.534 1.149 18229 5936 1 10 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.713 1.032 18229 5937 1 10 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.915 2.122 18229 5938 1 10 . 1 1 7 7 ALA H H 7 8.370 8.370 7.749 0.621 18229 5939 1 10 . 1 1 8 8 ILE N N 8 125.430 125.430 119.670 5.760 18229 5940 1 10 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.229 -0.234 18229 5941 1 10 . 1 1 8 8 ILE C C 8 175.310 175.310 174.858 0.452 18229 5942 1 10 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.315 1.637 18229 5943 1 10 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.084 1.603 18229 5944 1 10 . 1 1 8 8 ILE H H 8 9.349 9.349 8.410 0.939 18229 5945 1 10 . 1 1 9 9 PHE N N 9 128.906 128.906 127.986 0.920 18229 5946 1 10 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.351 -0.059 18229 5947 1 10 . 1 1 9 9 PHE C C 9 173.925 173.925 174.653 -0.728 18229 5948 1 10 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.282 0.989 18229 5949 1 10 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.880 -0.313 18229 5950 1 10 . 1 1 9 9 PHE H H 9 8.450 8.450 8.660 -0.210 18229 5951 1 10 . 1 1 10 10 GLU N N 10 126.509 126.509 127.592 -1.083 18229 5952 1 10 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.762 -0.558 18229 5953 1 10 . 1 1 10 10 GLU C C 10 175.157 175.157 175.561 -0.404 18229 5954 1 10 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.917 -0.138 18229 5955 1 10 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.962 -1.513 18229 5956 1 10 . 1 1 10 10 GLU H H 10 8.749 8.749 8.791 -0.042 18229 5957 1 10 . 1 1 11 11 LYS N N 11 105.729 105.729 111.249 -5.520 18229 5958 1 10 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.876 -0.473 18229 5959 1 10 . 1 1 11 11 LYS C C 11 175.543 175.543 175.512 0.031 18229 5960 1 10 . 1 1 11 11 LYS CA C 11 58.554 58.554 58.029 0.525 18229 5961 1 10 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.369 -1.192 18229 5962 1 10 . 1 1 11 11 LYS H H 11 7.931 7.931 8.402 -0.471 18229 5963 1 10 . 1 1 12 12 VAL N N 12 123.753 123.753 120.959 2.794 18229 5964 1 10 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.295 0.122 18229 5965 1 10 . 1 1 12 12 VAL C C 12 175.120 175.120 175.129 -0.009 18229 5966 1 10 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.194 0.578 18229 5967 1 10 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.531 -0.250 18229 5968 1 10 . 1 1 12 12 VAL H H 12 7.901 7.901 7.273 0.628 18229 5969 1 10 . 1 1 13 13 SER N N 13 121.941 121.941 119.885 2.056 18229 5970 1 10 . 1 1 13 13 SER HA H 13 4.627 4.627 5.089 -0.462 18229 5971 1 10 . 1 1 13 13 SER C C 13 175.339 175.339 173.996 1.343 18229 5972 1 10 . 1 1 13 13 SER CA C 13 59.813 59.813 57.913 1.900 18229 5973 1 10 . 1 1 13 13 SER CB C 13 63.763 63.763 64.270 -0.507 18229 5974 1 10 . 1 1 13 13 SER H H 13 8.876 8.876 8.727 0.149 18229 5975 1 10 . 1 1 14 14 GLY N N 14 113.199 113.199 112.532 0.667 18229 5976 1 10 . 1 1 14 14 GLY C C 14 172.742 172.742 172.748 -0.006 18229 5977 1 10 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.444 2.076 18229 5978 1 10 . 1 1 14 14 GLY H H 14 8.277 8.277 8.590 -0.313 18229 5979 1 10 . 1 1 15 15 ILE N N 15 123.240 123.240 120.228 3.012 18229 5980 1 10 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.473 0.337 18229 5981 1 10 . 1 1 15 15 ILE C C 15 175.370 175.370 173.720 1.650 18229 5982 1 10 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.831 0.489 18229 5983 1 10 . 1 1 15 15 ILE CB C 15 41.606 41.606 40.941 0.665 18229 5984 1 10 . 1 1 15 15 ILE H H 15 8.298 8.298 8.296 0.002 18229 5985 1 10 . 1 1 16 16 ILE N N 16 127.865 127.865 126.481 1.384 18229 5986 1 10 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.604 0.396 18229 5987 1 10 . 1 1 16 16 ILE C C 16 173.119 173.119 174.216 -1.097 18229 5988 1 10 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.697 0.058 18229 5989 1 10 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.908 0.960 18229 5990 1 10 . 1 1 16 16 ILE H H 16 9.428 9.428 9.053 0.375 18229 5991 1 10 . 1 1 17 17 ALA N N 17 127.742 127.742 129.890 -2.148 18229 5992 1 10 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.916 0.158 18229 5993 1 10 . 1 1 17 17 ALA C C 17 176.203 176.203 176.107 0.096 18229 5994 1 10 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.073 0.318 18229 5995 1 10 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.674 0.516 18229 5996 1 10 . 1 1 17 17 ALA H H 17 8.966 8.966 8.062 0.904 18229 5997 1 10 . 1 1 18 18 ILE N N 18 122.269 122.269 124.363 -2.094 18229 5998 1 10 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.252 0.369 18229 5999 1 10 . 1 1 18 18 ILE C C 18 174.306 174.306 175.606 -1.300 18229 6000 1 10 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.151 -0.651 18229 6001 1 10 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.379 -0.232 18229 6002 1 10 . 1 1 18 18 ILE H H 18 8.672 8.672 8.505 0.167 18229 6003 1 10 . 1 1 19 19 ASN N N 19 127.575 127.575 125.130 2.445 18229 6004 1 10 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.781 0.281 18229 6005 1 10 . 1 1 19 19 ASN C C 19 174.730 174.730 174.794 -0.064 18229 6006 1 10 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.138 -0.409 18229 6007 1 10 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.713 -0.217 18229 6008 1 10 . 1 1 19 19 ASN H H 19 9.350 9.350 8.865 0.485 18229 6009 1 10 . 1 1 20 20 GLU N N 20 121.547 121.547 123.646 -2.099 18229 6010 1 10 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.133 0.544 18229 6011 1 10 . 1 1 20 20 GLU C C 20 176.091 176.091 175.812 0.279 18229 6012 1 10 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.219 -1.417 18229 6013 1 10 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.755 0.918 18229 6014 1 10 . 1 1 20 20 GLU H H 20 9.037 9.037 8.159 0.878 18229 6015 1 10 . 1 1 21 21 ASP N N 21 121.086 121.086 116.468 4.618 18229 6016 1 10 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.553 0.076 18229 6017 1 10 . 1 1 21 21 ASP C C 21 175.651 175.651 176.049 -0.398 18229 6018 1 10 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.549 0.950 18229 6019 1 10 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.810 -0.260 18229 6020 1 10 . 1 1 21 21 ASP H H 21 8.706 8.706 8.169 0.537 18229 6021 1 10 . 1 1 22 22 VAL N N 22 113.108 113.108 117.320 -4.212 18229 6022 1 10 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.344 -0.028 18229 6023 1 10 . 1 1 22 22 VAL C C 22 173.407 173.407 174.665 -1.258 18229 6024 1 10 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.364 -1.211 18229 6025 1 10 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.078 0.952 18229 6026 1 10 . 1 1 22 22 VAL H H 22 6.819 6.819 7.264 -0.445 18229 6027 1 10 . 1 1 23 23 SER N N 23 115.009 115.009 114.178 0.831 18229 6028 1 10 . 1 1 23 23 SER HA H 23 4.735 4.735 4.659 0.076 18229 6029 1 10 . 1 1 23 23 SER CA C 23 53.848 53.848 56.953 -3.105 18229 6030 1 10 . 1 1 23 23 SER CB C 23 64.810 64.810 63.435 1.375 18229 6031 1 10 . 1 1 23 23 SER H H 23 8.032 8.032 8.088 -0.056 18229 6032 1 10 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.378 0.406 18229 6033 1 10 . 1 1 24 24 PRO C C 24 174.825 174.825 175.862 -1.037 18229 6034 1 10 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.172 0.675 18229 6035 1 10 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.411 2.390 18229 6036 1 10 . 1 1 25 25 ALA N N 25 120.477 120.477 122.575 -2.098 18229 6037 1 10 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.320 0.195 18229 6038 1 10 . 1 1 25 25 ALA C C 25 175.878 175.878 176.667 -0.789 18229 6039 1 10 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.269 0.339 18229 6040 1 10 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.070 0.384 18229 6041 1 10 . 1 1 25 25 ALA H H 25 8.013 8.013 8.276 -0.263 18229 6042 1 10 . 1 1 26 26 GLU N N 26 115.417 115.417 114.540 0.877 18229 6043 1 10 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.182 -0.111 18229 6044 1 10 . 1 1 26 26 GLU C C 26 174.599 174.599 174.976 -0.377 18229 6045 1 10 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.611 -1.624 18229 6046 1 10 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.428 1.837 18229 6047 1 10 . 1 1 26 26 GLU H H 26 7.821 7.821 7.929 -0.108 18229 6048 1 10 . 1 1 27 27 LEU N N 27 124.622 124.622 121.547 3.075 18229 6049 1 10 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.359 -0.321 18229 6050 1 10 . 1 1 27 27 LEU C C 27 174.704 174.704 175.825 -1.121 18229 6051 1 10 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.316 0.441 18229 6052 1 10 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.997 0.649 18229 6053 1 10 . 1 1 27 27 LEU H H 27 8.863 8.863 8.911 -0.048 18229 6054 1 10 . 1 1 28 28 THR N N 28 121.755 121.755 118.822 2.933 18229 6055 1 10 . 1 1 28 28 THR HA H 28 5.152 5.152 4.965 0.187 18229 6056 1 10 . 1 1 28 28 THR C C 28 172.573 172.573 173.222 -0.649 18229 6057 1 10 . 1 1 28 28 THR CA C 28 61.452 61.452 62.275 -0.823 18229 6058 1 10 . 1 1 28 28 THR CB C 28 71.480 71.480 70.043 1.437 18229 6059 1 10 . 1 1 28 28 THR H H 28 9.276 9.276 8.922 0.354 18229 6060 1 10 . 1 1 29 29 TRP N N 29 128.764 128.764 130.712 -1.948 18229 6061 1 10 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.984 0.464 18229 6062 1 10 . 1 1 29 29 TRP C C 29 173.881 173.881 174.204 -0.323 18229 6063 1 10 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.328 -0.538 18229 6064 1 10 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.893 1.437 18229 6065 1 10 . 1 1 29 29 TRP H H 29 9.383 9.383 9.588 -0.205 18229 6066 1 10 . 1 1 30 30 ARG N N 30 126.417 126.417 129.481 -3.064 18229 6067 1 10 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.619 0.188 18229 6068 1 10 . 1 1 30 30 ARG C C 30 174.712 174.712 175.512 -0.800 18229 6069 1 10 . 1 1 30 30 ARG CA C 30 53.468 53.468 54.052 -0.584 18229 6070 1 10 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.638 0.180 18229 6071 1 10 . 1 1 30 30 ARG H H 30 7.579 7.579 9.148 -1.569 18229 6072 1 10 . 1 1 31 31 SER N N 31 118.415 118.415 121.474 -3.059 18229 6073 1 10 . 1 1 31 31 SER HA H 31 4.480 4.480 3.713 0.767 18229 6074 1 10 . 1 1 31 31 SER C C 31 176.360 176.360 175.238 1.122 18229 6075 1 10 . 1 1 31 31 SER CA C 31 58.070 58.070 60.501 -2.431 18229 6076 1 10 . 1 1 31 31 SER CB C 31 64.272 64.272 63.487 0.785 18229 6077 1 10 . 1 1 31 31 SER H H 31 8.078 8.078 8.761 -0.683 18229 6078 1 10 . 1 1 32 32 THR N N 32 119.175 119.175 117.894 1.281 18229 6079 1 10 . 1 1 32 32 THR HA H 32 3.847 3.847 4.082 -0.235 18229 6080 1 10 . 1 1 32 32 THR C C 32 175.602 175.602 175.223 0.379 18229 6081 1 10 . 1 1 32 32 THR CA C 32 66.265 66.265 65.721 0.544 18229 6082 1 10 . 1 1 32 32 THR CB C 32 68.557 68.557 69.097 -0.539 18229 6083 1 10 . 1 1 32 32 THR H H 32 8.520 8.520 8.389 0.131 18229 6084 1 10 . 1 1 33 33 ASP N N 33 117.286 117.286 119.299 -2.013 18229 6085 1 10 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.664 -0.047 18229 6086 1 10 . 1 1 33 33 ASP C C 33 177.056 177.056 176.538 0.518 18229 6087 1 10 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.710 -0.485 18229 6088 1 10 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.173 -0.295 18229 6089 1 10 . 1 1 33 33 ASP H H 33 8.223 8.223 8.298 -0.075 18229 6090 1 10 . 1 1 34 34 GLY N N 34 109.197 109.197 107.957 1.240 18229 6091 1 10 . 1 1 34 34 GLY C C 34 173.762 173.762 173.749 0.013 18229 6092 1 10 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.204 0.195 18229 6093 1 10 . 1 1 34 34 GLY H H 34 7.914 7.914 7.931 -0.017 18229 6094 1 10 . 1 1 35 35 ASP N N 35 118.081 118.081 118.858 -0.777 18229 6095 1 10 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.573 -0.054 18229 6096 1 10 . 1 1 35 35 ASP C C 35 175.366 175.366 176.298 -0.932 18229 6097 1 10 . 1 1 35 35 ASP CA C 35 54.860 54.860 54.934 -0.074 18229 6098 1 10 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.035 -0.062 18229 6099 1 10 . 1 1 35 35 ASP H H 35 8.238 8.238 8.368 -0.130 18229 6100 1 10 . 1 1 36 36 LYS N N 36 120.362 120.362 115.946 4.416 18229 6101 1 10 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.367 0.467 18229 6102 1 10 . 1 1 36 36 LYS C C 36 174.568 174.568 173.670 0.898 18229 6103 1 10 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.404 0.132 18229 6104 1 10 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.804 0.974 18229 6105 1 10 . 1 1 36 36 LYS H H 36 7.749 7.749 7.749 -0.000 18229 6106 1 10 . 1 1 37 37 VAL N N 37 121.758 121.758 119.245 2.513 18229 6107 1 10 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.145 0.126 18229 6108 1 10 . 1 1 37 37 VAL C C 37 175.209 175.209 174.163 1.046 18229 6109 1 10 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.592 -0.329 18229 6110 1 10 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.463 0.520 18229 6111 1 10 . 1 1 37 37 VAL H H 37 8.526 8.526 8.348 0.178 18229 6112 1 10 . 1 1 38 38 HIS N N 38 126.087 126.087 126.764 -0.677 18229 6113 1 10 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.939 0.082 18229 6114 1 10 . 1 1 38 38 HIS C C 38 173.116 173.116 174.418 -1.302 18229 6115 1 10 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.685 1.123 18229 6116 1 10 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.238 0.745 18229 6117 1 10 . 1 1 38 38 HIS H H 38 9.633 9.633 9.570 0.062 18229 6118 1 10 . 1 1 39 39 THR N N 39 124.455 124.455 120.794 3.661 18229 6119 1 10 . 1 1 39 39 THR HA H 39 5.155 5.155 5.189 -0.034 18229 6120 1 10 . 1 1 39 39 THR C C 39 173.102 173.102 173.791 -0.689 18229 6121 1 10 . 1 1 39 39 THR CA C 39 61.637 61.637 61.458 0.179 18229 6122 1 10 . 1 1 39 39 THR CB C 39 70.716 70.716 69.826 0.890 18229 6123 1 10 . 1 1 39 39 THR H H 39 8.415 8.415 8.617 -0.202 18229 6124 1 10 . 1 1 40 40 VAL N N 40 126.066 126.066 123.712 2.354 18229 6125 1 10 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.174 -0.221 18229 6126 1 10 . 1 1 40 40 VAL C C 40 174.693 174.693 173.828 0.865 18229 6127 1 10 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.428 -0.080 18229 6128 1 10 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.776 -1.502 18229 6129 1 10 . 1 1 40 40 VAL H H 40 9.387 9.387 9.200 0.187 18229 6130 1 10 . 1 1 41 41 VAL N N 41 129.775 129.775 127.971 1.804 18229 6131 1 10 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.503 -0.515 18229 6132 1 10 . 1 1 41 41 VAL C C 41 179.424 179.424 176.612 2.812 18229 6133 1 10 . 1 1 41 41 VAL CA C 41 63.744 63.744 61.042 2.702 18229 6134 1 10 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.778 0.173 18229 6135 1 10 . 1 1 41 41 VAL H H 41 9.021 9.021 8.812 0.209 18229 6136 1 10 . 1 1 42 42 LEU N N 42 129.645 129.645 127.931 1.714 18229 6137 1 10 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.089 -0.116 18229 6138 1 10 . 1 1 42 42 LEU C C 42 176.259 176.259 177.983 -1.724 18229 6139 1 10 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.630 1.013 18229 6140 1 10 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.263 -0.435 18229 6141 1 10 . 1 1 42 42 LEU H H 42 9.147 9.147 8.561 0.586 18229 6142 1 10 . 1 1 43 43 SER N N 43 110.158 110.158 111.991 -1.833 18229 6143 1 10 . 1 1 43 43 SER HA H 43 4.310 4.310 4.125 0.185 18229 6144 1 10 . 1 1 43 43 SER C C 43 175.263 175.263 176.550 -1.287 18229 6145 1 10 . 1 1 43 43 SER CA C 43 59.620 59.620 60.988 -1.368 18229 6146 1 10 . 1 1 43 43 SER CB C 43 61.543 61.543 63.584 -2.041 18229 6147 1 10 . 1 1 43 43 SER H H 43 7.006 7.006 8.205 -1.199 18229 6148 1 10 . 1 1 44 44 THR N N 44 110.206 110.206 117.367 -7.161 18229 6149 1 10 . 1 1 44 44 THR HA H 44 4.504 4.504 4.170 0.334 18229 6150 1 10 . 1 1 44 44 THR C C 44 173.489 173.489 175.807 -2.318 18229 6151 1 10 . 1 1 44 44 THR CA C 44 62.024 62.024 64.087 -2.063 18229 6152 1 10 . 1 1 44 44 THR CB C 44 69.805 69.805 68.582 1.223 18229 6153 1 10 . 1 1 44 44 THR H H 44 7.571 7.571 7.796 -0.225 18229 6154 1 10 . 1 1 45 45 ILE N N 45 120.322 120.322 124.175 -3.853 18229 6155 1 10 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.136 0.131 18229 6156 1 10 . 1 1 45 45 ILE C C 45 174.103 174.103 176.164 -2.061 18229 6157 1 10 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.591 -3.621 18229 6158 1 10 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.073 0.487 18229 6159 1 10 . 1 1 45 45 ILE H H 45 6.975 6.975 7.983 -1.008 18229 6160 1 10 . 1 1 46 46 ASP N N 46 126.492 126.492 127.245 -0.753 18229 6161 1 10 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.356 0.355 18229 6162 1 10 . 1 1 46 46 ASP C C 46 175.431 175.431 175.597 -0.166 18229 6163 1 10 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.642 -1.809 18229 6164 1 10 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.767 2.768 18229 6165 1 10 . 1 1 46 46 ASP H H 46 9.262 9.262 8.854 0.408 18229 6166 1 10 . 1 1 47 47 LYS N N 47 112.726 112.726 112.813 -0.087 18229 6167 1 10 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.444 0.263 18229 6168 1 10 . 1 1 47 47 LYS C C 47 172.673 172.673 173.752 -1.079 18229 6169 1 10 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.442 -0.621 18229 6170 1 10 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.386 2.223 18229 6171 1 10 . 1 1 47 47 LYS H H 47 7.572 7.572 7.366 0.206 18229 6172 1 10 . 1 1 48 48 LEU N N 48 124.840 124.840 122.682 2.158 18229 6173 1 10 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.924 0.127 18229 6174 1 10 . 1 1 48 48 LEU C C 48 173.965 173.965 175.694 -1.729 18229 6175 1 10 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.324 -1.304 18229 6176 1 10 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.511 2.053 18229 6177 1 10 . 1 1 48 48 LEU H H 48 9.013 9.013 8.512 0.501 18229 6178 1 10 . 1 1 49 49 GLN N N 49 121.648 121.648 126.408 -4.760 18229 6179 1 10 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.729 0.789 18229 6180 1 10 . 1 1 49 49 GLN C C 49 174.700 174.700 173.863 0.837 18229 6181 1 10 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.229 -0.630 18229 6182 1 10 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.216 0.810 18229 6183 1 10 . 1 1 49 49 GLN H H 49 9.260 9.260 9.369 -0.109 18229 6184 1 10 . 1 1 50 50 ALA N N 50 122.020 122.020 125.454 -3.434 18229 6185 1 10 . 1 1 50 50 ALA HA H 50 5.747 5.747 4.885 0.862 18229 6186 1 10 . 1 1 50 50 ALA C C 50 177.167 177.167 176.093 1.074 18229 6187 1 10 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.180 -0.588 18229 6188 1 10 . 1 1 50 50 ALA CB C 50 24.363 24.363 21.889 2.474 18229 6189 1 10 . 1 1 50 50 ALA H H 50 9.286 9.286 8.421 0.865 18229 6190 1 10 . 1 1 51 51 THR N N 51 114.222 114.222 116.189 -1.967 18229 6191 1 10 . 1 1 51 51 THR HA H 51 4.735 4.735 4.366 0.369 18229 6192 1 10 . 1 1 51 51 THR CA C 51 59.228 59.228 61.796 -2.568 18229 6193 1 10 . 1 1 51 51 THR CB C 51 67.954 67.954 68.579 -0.625 18229 6194 1 10 . 1 1 51 51 THR H H 51 8.340 8.340 8.813 -0.473 18229 6195 1 10 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.519 0.051 18229 6196 1 10 . 1 1 52 52 PRO C C 52 178.621 178.621 177.956 0.665 18229 6197 1 10 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.633 -0.205 18229 6198 1 10 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.424 0.295 18229 6199 1 10 . 1 1 53 53 ALA N N 53 126.566 126.566 123.783 2.783 18229 6200 1 10 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.028 0.027 18229 6201 1 10 . 1 1 53 53 ALA C C 53 177.578 177.578 180.092 -2.514 18229 6202 1 10 . 1 1 53 53 ALA CA C 53 54.820 54.820 55.217 -0.397 18229 6203 1 10 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.500 -0.642 18229 6204 1 10 . 1 1 53 53 ALA H H 53 9.109 9.109 8.574 0.535 18229 6205 1 10 . 1 1 54 54 SER N N 54 107.184 107.184 111.231 -4.047 18229 6206 1 10 . 1 1 54 54 SER HA H 54 4.235 4.235 4.341 -0.106 18229 6207 1 10 . 1 1 54 54 SER C C 54 174.838 174.838 174.806 0.032 18229 6208 1 10 . 1 1 54 54 SER CA C 54 58.116 58.116 59.072 -0.956 18229 6209 1 10 . 1 1 54 54 SER CB C 54 63.021 63.021 63.251 -0.230 18229 6210 1 10 . 1 1 54 54 SER H H 54 7.595 7.595 8.134 -0.539 18229 6211 1 10 . 1 1 55 55 SER N N 55 117.098 117.098 117.028 0.070 18229 6212 1 10 . 1 1 55 55 SER HA H 55 4.484 4.484 4.458 0.026 18229 6213 1 10 . 1 1 55 55 SER C C 55 174.833 174.833 174.716 0.117 18229 6214 1 10 . 1 1 55 55 SER CA C 55 57.510 57.510 58.113 -0.603 18229 6215 1 10 . 1 1 55 55 SER CB C 55 64.121 64.121 63.661 0.460 18229 6216 1 10 . 1 1 55 55 SER H H 55 7.613 7.613 7.915 -0.302 18229 6217 1 10 . 1 1 56 56 GLU N N 56 125.258 125.258 127.637 -2.379 18229 6218 1 10 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.129 0.000 18229 6219 1 10 . 1 1 56 56 GLU C C 56 177.852 177.852 176.383 1.469 18229 6220 1 10 . 1 1 56 56 GLU CA C 56 57.612 57.612 57.951 -0.339 18229 6221 1 10 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.864 -0.440 18229 6222 1 10 . 1 1 56 56 GLU H H 56 8.849 8.849 8.847 0.002 18229 6223 1 10 . 1 1 57 57 LYS N N 57 119.058 119.058 119.254 -0.196 18229 6224 1 10 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.565 -0.266 18229 6225 1 10 . 1 1 57 57 LYS C C 57 175.699 175.699 175.480 0.219 18229 6226 1 10 . 1 1 57 57 LYS CA C 57 55.645 55.645 54.184 1.461 18229 6227 1 10 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.462 0.808 18229 6228 1 10 . 1 1 57 57 LYS H H 57 8.060 8.060 7.352 0.708 18229 6229 1 10 . 1 1 58 58 MET N N 58 123.967 123.967 123.092 0.875 18229 6230 1 10 . 1 1 58 58 MET HA H 58 4.345 4.345 4.680 -0.335 18229 6231 1 10 . 1 1 58 58 MET C C 58 174.213 174.213 174.933 -0.720 18229 6232 1 10 . 1 1 58 58 MET CA C 58 55.170 55.170 55.324 -0.154 18229 6233 1 10 . 1 1 58 58 MET CB C 58 35.330 35.330 31.602 3.728 18229 6234 1 10 . 1 1 58 58 MET H H 58 8.828 8.828 8.731 0.097 18229 6235 1 10 . 1 1 59 59 MET N N 59 120.929 120.929 121.970 -1.041 18229 6236 1 10 . 1 1 59 59 MET HA H 59 5.905 5.905 5.276 0.629 18229 6237 1 10 . 1 1 59 59 MET C C 59 174.521 174.521 174.190 0.331 18229 6238 1 10 . 1 1 59 59 MET CA C 59 55.038 55.038 55.318 -0.280 18229 6239 1 10 . 1 1 59 59 MET CB C 59 39.549 39.549 38.128 1.421 18229 6240 1 10 . 1 1 59 59 MET H H 59 8.528 8.528 9.362 -0.834 18229 6241 1 10 . 1 1 60 60 LEU N N 60 117.623 117.623 119.551 -1.928 18229 6242 1 10 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.067 0.598 18229 6243 1 10 . 1 1 60 60 LEU C C 60 175.763 175.763 175.124 0.639 18229 6244 1 10 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.888 -0.702 18229 6245 1 10 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.478 2.083 18229 6246 1 10 . 1 1 60 60 LEU H H 60 9.052 9.052 9.485 -0.433 18229 6247 1 10 . 1 1 61 61 ARG N N 61 120.407 120.407 121.208 -0.801 18229 6248 1 10 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.744 -0.273 18229 6249 1 10 . 1 1 61 61 ARG C C 61 173.286 173.286 174.011 -0.725 18229 6250 1 10 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.942 -0.011 18229 6251 1 10 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.373 -0.038 18229 6252 1 10 . 1 1 61 61 ARG H H 61 9.180 9.180 9.531 -0.351 18229 6253 1 10 . 1 1 62 62 LEU N N 62 126.471 126.471 125.166 1.305 18229 6254 1 10 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.235 -0.037 18229 6255 1 10 . 1 1 62 62 LEU C C 62 175.447 175.447 175.968 -0.521 18229 6256 1 10 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.334 0.074 18229 6257 1 10 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.959 -1.526 18229 6258 1 10 . 1 1 62 62 LEU H H 62 9.203 9.203 9.358 -0.155 18229 6259 1 10 . 1 1 63 63 ILE N N 63 123.282 123.282 123.487 -0.205 18229 6260 1 10 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.266 0.431 18229 6261 1 10 . 1 1 63 63 ILE C C 63 176.525 176.525 176.671 -0.146 18229 6262 1 10 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.927 -0.251 18229 6263 1 10 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.073 0.632 18229 6264 1 10 . 1 1 63 63 ILE H H 63 8.983 8.983 8.815 0.168 18229 6265 1 10 . 1 1 64 64 GLY N N 64 115.647 115.647 110.513 5.134 18229 6266 1 10 . 1 1 64 64 GLY C C 64 172.300 172.300 172.650 -0.350 18229 6267 1 10 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.710 1.952 18229 6268 1 10 . 1 1 64 64 GLY H H 64 9.372 9.372 8.927 0.445 18229 6269 1 10 . 1 1 65 65 LYS N N 65 119.107 119.107 120.211 -1.104 18229 6270 1 10 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.388 -0.082 18229 6271 1 10 . 1 1 65 65 LYS C C 65 177.404 177.404 176.129 1.275 18229 6272 1 10 . 1 1 65 65 LYS CA C 65 56.501 56.501 55.535 0.966 18229 6273 1 10 . 1 1 65 65 LYS CB C 65 34.418 34.418 33.097 1.321 18229 6274 1 10 . 1 1 65 65 LYS H H 65 8.289 8.289 8.309 -0.020 18229 6275 1 10 . 1 1 66 66 VAL N N 66 122.231 122.231 125.332 -3.101 18229 6276 1 10 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.090 -0.011 18229 6277 1 10 . 1 1 66 66 VAL C C 66 175.253 175.253 175.360 -0.107 18229 6278 1 10 . 1 1 66 66 VAL CA C 66 62.136 62.136 62.184 -0.049 18229 6279 1 10 . 1 1 66 66 VAL CB C 66 33.284 33.284 32.960 0.324 18229 6280 1 10 . 1 1 66 66 VAL H H 66 8.607 8.607 8.290 0.317 18229 6281 1 10 . 1 1 67 67 ASP N N 67 125.538 125.538 124.354 1.184 18229 6282 1 10 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.693 0.006 18229 6283 1 10 . 1 1 67 67 ASP C C 67 176.601 176.601 175.016 1.585 18229 6284 1 10 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.824 -0.766 18229 6285 1 10 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.910 -0.038 18229 6286 1 10 . 1 1 67 67 ASP H H 67 8.457 8.457 8.324 0.133 18229 6287 1 10 . 1 1 68 68 GLU N N 68 124.433 124.433 116.700 7.733 18229 6288 1 10 . 1 1 68 68 GLU HA H 68 4.124 4.124 3.966 0.158 18229 6289 1 10 . 1 1 68 68 GLU C C 68 177.344 177.344 175.264 2.080 18229 6290 1 10 . 1 1 68 68 GLU CA C 68 57.635 57.635 57.500 0.135 18229 6291 1 10 . 1 1 68 68 GLU CB C 68 29.680 29.680 27.675 2.005 18229 6292 1 10 . 1 1 68 68 GLU H H 68 8.712 8.712 8.442 0.270 18229 6293 1 10 . 1 1 69 69 SER N N 69 115.596 115.596 113.104 2.492 18229 6294 1 10 . 1 1 69 69 SER HA H 69 4.328 4.328 4.406 -0.078 18229 6295 1 10 . 1 1 69 69 SER C C 69 175.180 175.180 176.057 -0.877 18229 6296 1 10 . 1 1 69 69 SER CA C 69 60.146 60.146 59.200 0.946 18229 6297 1 10 . 1 1 69 69 SER CB C 69 63.383 63.383 63.429 -0.046 18229 6298 1 10 . 1 1 69 69 SER H H 69 8.467 8.467 8.092 0.375 18229 6299 1 10 . 1 1 70 70 LYS N N 70 121.738 121.738 121.522 0.216 18229 6300 1 10 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.173 0.233 18229 6301 1 10 . 1 1 70 70 LYS C C 70 176.165 176.165 176.039 0.126 18229 6302 1 10 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.912 -1.502 18229 6303 1 10 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.862 -0.362 18229 6304 1 10 . 1 1 70 70 LYS H H 70 7.675 7.675 8.215 -0.540 18229 6305 1 10 . 1 1 71 71 LYS N N 71 121.087 121.087 116.322 4.765 18229 6306 1 10 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.093 0.315 18229 6307 1 10 . 1 1 71 71 LYS C C 71 176.134 176.134 175.450 0.684 18229 6308 1 10 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.849 -0.243 18229 6309 1 10 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.313 1.970 18229 6310 1 10 . 1 1 71 71 LYS H H 71 7.739 7.739 8.258 -0.519 18229 6311 1 10 . 1 1 72 72 ARG N N 72 122.147 122.147 121.823 0.324 18229 6312 1 10 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.667 -0.083 18229 6313 1 10 . 1 1 72 72 ARG C C 72 175.217 175.217 175.827 -0.610 18229 6314 1 10 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.147 0.894 18229 6315 1 10 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.000 0.354 18229 6316 1 10 . 1 1 72 72 ARG H H 72 8.402 8.402 8.920 -0.518 18229 6317 1 10 . 1 1 73 73 LYS N N 73 121.242 121.242 125.955 -4.713 18229 6318 1 10 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.675 0.224 18229 6319 1 10 . 1 1 73 73 LYS C C 73 176.966 176.966 175.858 1.108 18229 6320 1 10 . 1 1 73 73 LYS CA C 73 55.365 55.365 56.595 -1.230 18229 6321 1 10 . 1 1 73 73 LYS CB C 73 34.631 34.631 32.830 1.801 18229 6322 1 10 . 1 1 73 73 LYS H H 73 8.386 8.386 8.689 -0.303 18229 6323 1 10 . 1 1 74 74 ASP N N 74 122.007 122.007 121.348 0.659 18229 6324 1 10 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.613 0.038 18229 6325 1 10 . 1 1 74 74 ASP C C 74 177.401 177.401 176.143 1.258 18229 6326 1 10 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.254 -2.414 18229 6327 1 10 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.753 -0.745 18229 6328 1 10 . 1 1 74 74 ASP H H 74 8.559 8.559 8.644 -0.085 18229 6329 1 10 . 1 1 75 75 ASN N N 75 116.263 116.263 115.907 0.356 18229 6330 1 10 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.691 -0.156 18229 6331 1 10 . 1 1 75 75 ASN C C 75 175.944 175.944 175.638 0.306 18229 6332 1 10 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.440 1.437 18229 6333 1 10 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.165 -0.055 18229 6334 1 10 . 1 1 75 75 ASN H H 75 8.414 8.414 8.513 -0.099 18229 6335 1 10 . 1 1 76 76 GLU N N 76 118.940 118.940 122.325 -3.385 18229 6336 1 10 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.466 -0.073 18229 6337 1 10 . 1 1 76 76 GLU C C 76 176.512 176.512 176.705 -0.193 18229 6338 1 10 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.984 0.182 18229 6339 1 10 . 1 1 76 76 GLU CB C 76 30.010 30.010 27.841 2.169 18229 6340 1 10 . 1 1 76 76 GLU H H 76 8.133 8.133 8.310 -0.177 18229 6341 1 10 . 1 1 77 77 GLY N N 77 108.056 108.056 108.243 -0.187 18229 6342 1 10 . 1 1 77 77 GLY C C 77 174.193 174.193 174.058 0.135 18229 6343 1 10 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.746 -0.459 18229 6344 1 10 . 1 1 77 77 GLY H H 77 8.083 8.083 7.657 0.426 18229 6345 1 10 . 1 1 78 78 ASN N N 78 119.896 119.896 118.522 1.374 18229 6346 1 10 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.660 0.082 18229 6347 1 10 . 1 1 78 78 ASN C C 78 175.006 175.006 174.042 0.964 18229 6348 1 10 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.980 -0.153 18229 6349 1 10 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.317 -0.321 18229 6350 1 10 . 1 1 78 78 ASN H H 78 8.537 8.537 8.067 0.470 18229 6351 1 10 . 1 1 79 79 GLU N N 79 121.648 121.648 125.904 -4.256 18229 6352 1 10 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.453 0.018 18229 6353 1 10 . 1 1 79 79 GLU C C 79 176.268 176.268 175.402 0.866 18229 6354 1 10 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.376 1.234 18229 6355 1 10 . 1 1 79 79 GLU CB C 79 30.307 30.307 29.853 0.454 18229 6356 1 10 . 1 1 79 79 GLU H H 79 8.674 8.674 8.636 0.038 18229 6357 1 10 . 1 1 80 80 VAL N N 80 124.083 124.083 127.297 -3.214 18229 6358 1 10 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.354 -0.106 18229 6359 1 10 . 1 1 80 80 VAL C C 80 175.537 175.537 175.001 0.536 18229 6360 1 10 . 1 1 80 80 VAL CA C 80 61.465 61.465 60.763 0.702 18229 6361 1 10 . 1 1 80 80 VAL CB C 80 33.553 33.553 34.733 -1.180 18229 6362 1 10 . 1 1 80 80 VAL H H 80 8.554 8.554 8.422 0.132 18229 6363 1 10 . 1 1 81 81 VAL N N 81 126.640 126.640 127.127 -0.487 18229 6364 1 10 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.288 0.139 18229 6365 1 10 . 1 1 81 81 VAL CA C 81 59.605 59.605 59.166 0.439 18229 6366 1 10 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.428 1.448 18229 6367 1 10 . 1 1 81 81 VAL H H 81 8.390 8.390 8.530 -0.140 18229 6368 1 10 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.277 0.150 18229 6369 1 10 . 1 1 82 82 PRO C C 82 176.034 176.034 176.589 -0.555 18229 6370 1 10 . 1 1 82 82 PRO CA C 82 62.710 62.710 62.895 -0.185 18229 6371 1 10 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.135 0.217 18229 6372 1 10 . 1 1 83 83 LYS N N 83 121.719 121.719 120.686 1.033 18229 6373 1 10 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.120 0.428 18229 6374 1 10 . 1 1 83 83 LYS CA C 83 53.856 53.856 56.110 -2.254 18229 6375 1 10 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.470 0.860 18229 6376 1 10 . 1 1 83 83 LYS H H 83 8.308 8.308 8.259 0.049 18229 6377 1 10 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.489 -0.193 18229 6378 1 10 . 1 1 84 84 PRO C C 84 176.773 176.773 176.981 -0.208 18229 6379 1 10 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.596 -0.040 18229 6380 1 10 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.090 0.528 18229 6381 1 10 . 1 1 85 85 GLN N N 85 121.395 121.395 119.314 2.081 18229 6382 1 10 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.014 0.127 18229 6383 1 10 . 1 1 85 85 GLN C C 85 174.940 174.940 174.840 0.100 18229 6384 1 10 . 1 1 85 85 GLN CA C 85 56.062 56.062 57.248 -1.186 18229 6385 1 10 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.276 0.455 18229 6386 1 10 . 1 1 85 85 GLN H H 85 8.464 8.464 8.407 0.057 18229 6387 1 10 . 1 1 86 86 ARG N N 86 121.035 121.035 118.991 2.044 18229 6388 1 10 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.772 0.355 18229 6389 1 10 . 1 1 86 86 ARG C C 86 175.052 175.052 175.087 -0.035 18229 6390 1 10 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.954 -0.420 18229 6391 1 10 . 1 1 86 86 ARG CB C 86 33.333 33.333 34.146 -0.813 18229 6392 1 10 . 1 1 86 86 ARG H H 86 8.248 8.248 8.316 -0.068 18229 6393 1 10 . 1 1 87 87 HIS N N 87 120.780 120.780 121.349 -0.569 18229 6394 1 10 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.652 0.030 18229 6395 1 10 . 1 1 87 87 HIS C C 87 173.558 173.558 173.582 -0.024 18229 6396 1 10 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.668 -0.476 18229 6397 1 10 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.883 2.171 18229 6398 1 10 . 1 1 87 87 HIS H H 87 8.659 8.659 9.079 -0.420 18229 6399 1 10 . 1 1 88 88 MET N N 88 126.780 126.780 124.170 2.610 18229 6400 1 10 . 1 1 88 88 MET HA H 88 5.283 5.283 4.955 0.328 18229 6401 1 10 . 1 1 88 88 MET C C 88 173.297 173.297 173.503 -0.206 18229 6402 1 10 . 1 1 88 88 MET CA C 88 54.835 54.835 54.462 0.373 18229 6403 1 10 . 1 1 88 88 MET CB C 88 35.794 35.794 34.842 0.952 18229 6404 1 10 . 1 1 88 88 MET H H 88 8.710 8.710 8.291 0.419 18229 6405 1 10 . 1 1 89 89 PHE N N 89 122.543 122.543 124.079 -1.536 18229 6406 1 10 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.368 -0.173 18229 6407 1 10 . 1 1 89 89 PHE C C 89 174.410 174.410 175.102 -0.692 18229 6408 1 10 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.079 1.300 18229 6409 1 10 . 1 1 89 89 PHE CB C 89 44.189 44.189 40.708 3.481 18229 6410 1 10 . 1 1 89 89 PHE H H 89 8.969 8.969 9.663 -0.694 18229 6411 1 10 . 1 1 90 90 SER N N 90 116.192 116.192 120.055 -3.863 18229 6412 1 10 . 1 1 90 90 SER HA H 90 5.696 5.696 4.803 0.893 18229 6413 1 10 . 1 1 90 90 SER C C 90 173.030 173.030 173.962 -0.932 18229 6414 1 10 . 1 1 90 90 SER CA C 90 56.771 56.771 58.440 -1.669 18229 6415 1 10 . 1 1 90 90 SER CB C 90 64.961 64.961 63.507 1.454 18229 6416 1 10 . 1 1 90 90 SER H H 90 8.657 8.657 8.540 0.117 18229 6417 1 10 . 1 1 91 91 PHE N N 91 120.710 120.710 125.082 -4.372 18229 6418 1 10 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.666 0.221 18229 6419 1 10 . 1 1 91 91 PHE C C 91 174.442 174.442 176.635 -2.193 18229 6420 1 10 . 1 1 91 91 PHE CA C 91 57.425 57.425 57.840 -0.415 18229 6421 1 10 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.420 2.972 18229 6422 1 10 . 1 1 91 91 PHE H H 91 9.001 9.001 8.524 0.477 18229 6423 1 10 . 1 1 92 92 ASN N N 92 115.967 115.967 123.690 -7.723 18229 6424 1 10 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.840 0.267 18229 6425 1 10 . 1 1 92 92 ASN C C 92 174.835 174.835 174.224 0.611 18229 6426 1 10 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.248 -0.997 18229 6427 1 10 . 1 1 92 92 ASN CB C 92 39.889 39.889 38.011 1.878 18229 6428 1 10 . 1 1 92 92 ASN H H 92 9.093 9.093 8.925 0.168 18229 6429 1 10 . 1 1 93 93 ASN N N 93 118.401 118.401 117.235 1.166 18229 6430 1 10 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.759 0.163 18229 6431 1 10 . 1 1 93 93 ASN C C 93 174.524 174.524 174.688 -0.164 18229 6432 1 10 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.621 -0.608 18229 6433 1 10 . 1 1 93 93 ASN CB C 93 41.761 41.761 39.832 1.929 18229 6434 1 10 . 1 1 93 93 ASN H H 93 7.252 7.252 7.539 -0.287 18229 6435 1 10 . 1 1 94 94 ARG N N 94 129.175 129.175 124.103 5.072 18229 6436 1 10 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.008 -0.143 18229 6437 1 10 . 1 1 94 94 ARG C C 94 176.797 176.797 177.383 -0.586 18229 6438 1 10 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.559 -0.076 18229 6439 1 10 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.126 0.003 18229 6440 1 10 . 1 1 94 94 ARG H H 94 9.309 9.309 8.924 0.385 18229 6441 1 10 . 1 1 95 95 THR N N 95 115.594 115.594 114.506 1.088 18229 6442 1 10 . 1 1 95 95 THR HA H 95 4.021 4.021 4.103 -0.082 18229 6443 1 10 . 1 1 95 95 THR C C 95 176.735 176.735 176.205 0.530 18229 6444 1 10 . 1 1 95 95 THR CA C 95 66.430 66.430 66.874 -0.444 18229 6445 1 10 . 1 1 95 95 THR CB C 95 68.357 68.357 68.533 -0.176 18229 6446 1 10 . 1 1 95 95 THR H H 95 7.973 7.973 8.164 -0.191 18229 6447 1 10 . 1 1 96 96 VAL N N 96 121.833 121.833 121.734 0.099 18229 6448 1 10 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.705 0.078 18229 6449 1 10 . 1 1 96 96 VAL C C 96 177.561 177.561 177.860 -0.299 18229 6450 1 10 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.460 -0.335 18229 6451 1 10 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.070 1.131 18229 6452 1 10 . 1 1 96 96 VAL H H 96 7.565 7.565 7.659 -0.094 18229 6453 1 10 . 1 1 97 97 MET N N 97 117.429 117.429 117.565 -0.136 18229 6454 1 10 . 1 1 97 97 MET HA H 97 4.551 4.551 3.316 1.235 18229 6455 1 10 . 1 1 97 97 MET C C 97 177.257 177.257 177.687 -0.430 18229 6456 1 10 . 1 1 97 97 MET CA C 97 59.753 59.753 58.599 1.154 18229 6457 1 10 . 1 1 97 97 MET CB C 97 32.515 32.515 31.467 1.048 18229 6458 1 10 . 1 1 97 97 MET H H 97 7.336 7.336 8.199 -0.863 18229 6459 1 10 . 1 1 98 98 ASP N N 98 118.159 118.159 120.094 -1.935 18229 6460 1 10 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.414 -0.099 18229 6461 1 10 . 1 1 98 98 ASP C C 98 178.771 178.771 179.033 -0.262 18229 6462 1 10 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.072 0.532 18229 6463 1 10 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.119 -0.455 18229 6464 1 10 . 1 1 98 98 ASP H H 98 8.712 8.712 8.219 0.493 18229 6465 1 10 . 1 1 99 99 ASN N N 99 120.354 120.354 117.929 2.425 18229 6466 1 10 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.584 -0.104 18229 6467 1 10 . 1 1 99 99 ASN C C 99 178.232 178.232 177.407 0.825 18229 6468 1 10 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.611 0.688 18229 6469 1 10 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.351 -0.903 18229 6470 1 10 . 1 1 99 99 ASN H H 99 8.084 8.084 7.997 0.087 18229 6471 1 10 . 1 1 100 100 ILE N N 100 120.990 120.990 121.143 -0.153 18229 6472 1 10 . 1 1 100 100 ILE HA H 100 3.637 3.637 4.055 -0.418 18229 6473 1 10 . 1 1 100 100 ILE C C 100 177.463 177.463 177.660 -0.197 18229 6474 1 10 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.654 -0.881 18229 6475 1 10 . 1 1 100 100 ILE CB C 100 35.467 35.467 38.114 -2.647 18229 6476 1 10 . 1 1 100 100 ILE H H 100 8.017 8.017 8.240 -0.223 18229 6477 1 10 . 1 1 101 101 LYS N N 101 120.814 120.814 119.914 0.900 18229 6478 1 10 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.866 -0.231 18229 6479 1 10 . 1 1 101 101 LYS C C 101 177.365 177.365 178.865 -1.500 18229 6480 1 10 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.610 1.026 18229 6481 1 10 . 1 1 101 101 LYS CB C 101 32.991 32.991 31.843 1.148 18229 6482 1 10 . 1 1 101 101 LYS H H 101 8.944 8.944 8.364 0.580 18229 6483 1 10 . 1 1 102 102 MET N N 102 116.514 116.514 116.193 0.321 18229 6484 1 10 . 1 1 102 102 MET HA H 102 4.209 4.209 4.402 -0.193 18229 6485 1 10 . 1 1 102 102 MET C C 102 178.925 178.925 177.513 1.412 18229 6486 1 10 . 1 1 102 102 MET CA C 102 58.720 58.720 58.734 -0.014 18229 6487 1 10 . 1 1 102 102 MET CB C 102 32.299 32.299 32.244 0.055 18229 6488 1 10 . 1 1 102 102 MET H H 102 8.123 8.123 7.642 0.481 18229 6489 1 10 . 1 1 103 103 THR N N 103 118.583 118.583 118.901 -0.318 18229 6490 1 10 . 1 1 103 103 THR HA H 103 3.882 3.882 4.021 -0.139 18229 6491 1 10 . 1 1 103 103 THR C C 103 176.474 176.474 176.874 -0.400 18229 6492 1 10 . 1 1 103 103 THR CA C 103 66.489 66.489 66.120 0.369 18229 6493 1 10 . 1 1 103 103 THR CB C 103 67.864 67.864 68.208 -0.344 18229 6494 1 10 . 1 1 103 103 THR H H 103 7.768 7.768 7.590 0.178 18229 6495 1 10 . 1 1 104 104 LEU N N 104 119.575 119.575 121.302 -1.727 18229 6496 1 10 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.867 0.015 18229 6497 1 10 . 1 1 104 104 LEU C C 104 177.935 177.935 179.282 -1.347 18229 6498 1 10 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.545 -0.569 18229 6499 1 10 . 1 1 104 104 LEU CB C 104 42.322 42.322 40.907 1.415 18229 6500 1 10 . 1 1 104 104 LEU H H 104 8.537 8.537 8.100 0.437 18229 6501 1 10 . 1 1 105 105 GLN N N 105 119.463 119.463 117.848 1.615 18229 6502 1 10 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.806 -0.097 18229 6503 1 10 . 1 1 105 105 GLN C C 105 178.507 178.507 178.732 -0.225 18229 6504 1 10 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.185 0.555 18229 6505 1 10 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.333 0.306 18229 6506 1 10 . 1 1 105 105 GLN H H 105 8.736 8.736 7.741 0.995 18229 6507 1 10 . 1 1 106 106 GLN N N 106 118.984 118.984 117.908 1.076 18229 6508 1 10 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.998 -0.022 18229 6509 1 10 . 1 1 106 106 GLN C C 106 178.454 178.454 178.133 0.321 18229 6510 1 10 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.951 0.067 18229 6511 1 10 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.832 -0.380 18229 6512 1 10 . 1 1 106 106 GLN H H 106 7.689 7.689 8.236 -0.547 18229 6513 1 10 . 1 1 107 107 ILE N N 107 119.928 119.928 117.745 2.183 18229 6514 1 10 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.910 -0.447 18229 6515 1 10 . 1 1 107 107 ILE C C 107 177.492 177.492 177.953 -0.461 18229 6516 1 10 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.990 1.452 18229 6517 1 10 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.568 0.927 18229 6518 1 10 . 1 1 107 107 ILE H H 107 7.910 7.910 7.517 0.393 18229 6519 1 10 . 1 1 108 108 ILE N N 108 117.958 117.958 121.528 -3.570 18229 6520 1 10 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.424 2.335 18229 6521 1 10 . 1 1 108 108 ILE C C 108 178.625 178.625 177.839 0.786 18229 6522 1 10 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.618 0.961 18229 6523 1 10 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.488 1.764 18229 6524 1 10 . 1 1 108 108 ILE H H 108 8.767 8.767 8.571 0.196 18229 6525 1 10 . 1 1 109 109 SER N N 109 113.450 113.450 114.644 -1.194 18229 6526 1 10 . 1 1 109 109 SER HA H 109 4.271 4.271 3.942 0.329 18229 6527 1 10 . 1 1 109 109 SER C C 109 175.966 175.966 176.812 -0.846 18229 6528 1 10 . 1 1 109 109 SER CA C 109 62.205 62.205 61.701 0.504 18229 6529 1 10 . 1 1 109 109 SER CB C 109 63.094 63.094 62.311 0.783 18229 6530 1 10 . 1 1 109 109 SER H H 109 7.797 7.797 8.196 -0.399 18229 6531 1 10 . 1 1 110 110 ARG N N 110 120.739 120.739 121.535 -0.796 18229 6532 1 10 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.145 -0.026 18229 6533 1 10 . 1 1 110 110 ARG C C 110 179.056 179.056 179.287 -0.231 18229 6534 1 10 . 1 1 110 110 ARG CA C 110 58.820 58.820 59.041 -0.221 18229 6535 1 10 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.410 -0.611 18229 6536 1 10 . 1 1 110 110 ARG H H 110 7.450 7.450 8.058 -0.608 18229 6537 1 10 . 1 1 111 111 TYR N N 111 117.972 117.972 119.097 -1.125 18229 6538 1 10 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.297 0.409 18229 6539 1 10 . 1 1 111 111 TYR C C 111 177.853 177.853 177.955 -0.102 18229 6540 1 10 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.361 0.252 18229 6541 1 10 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.549 -0.241 18229 6542 1 10 . 1 1 111 111 TYR H H 111 7.558 7.558 8.427 -0.869 18229 6543 1 10 . 1 1 112 112 LYS N N 112 120.615 120.615 117.916 2.699 18229 6544 1 10 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.179 0.202 18229 6545 1 10 . 1 1 112 112 LYS C C 112 177.893 177.893 178.039 -0.146 18229 6546 1 10 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.682 -0.093 18229 6547 1 10 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.097 0.506 18229 6548 1 10 . 1 1 112 112 LYS H H 112 8.080 8.080 7.516 0.564 18229 6549 1 10 . 1 1 113 113 ASP N N 113 120.325 120.325 119.993 0.332 18229 6550 1 10 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.467 0.177 18229 6551 1 10 . 1 1 113 113 ASP C C 113 176.950 176.950 177.123 -0.173 18229 6552 1 10 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.214 -0.951 18229 6553 1 10 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.884 0.007 18229 6554 1 10 . 1 1 113 113 ASP H H 113 8.191 8.191 8.430 -0.239 18229 6555 1 10 . 1 1 114 114 ALA N N 114 122.906 122.906 120.543 2.363 18229 6556 1 10 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.359 -0.011 18229 6557 1 10 . 1 1 114 114 ALA C C 114 178.055 178.055 177.827 0.228 18229 6558 1 10 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.612 0.562 18229 6559 1 10 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.928 -0.828 18229 6560 1 10 . 1 1 114 114 ALA H H 114 7.900 7.900 7.655 0.245 18229 6561 1 11 . 1 1 2 2 SER N N 2 113.055 113.055 117.141 -4.086 18229 6562 1 11 . 1 1 2 2 SER HA H 2 4.418 4.418 4.235 0.183 18229 6563 1 11 . 1 1 2 2 SER C C 2 174.994 174.994 175.075 -0.081 18229 6564 1 11 . 1 1 2 2 SER CA C 2 58.540 58.540 60.466 -1.926 18229 6565 1 11 . 1 1 2 2 SER CB C 2 63.748 63.748 63.444 0.304 18229 6566 1 11 . 1 1 2 2 SER H H 2 8.061 8.061 8.576 -0.515 18229 6567 1 11 . 1 1 3 3 HIS N N 3 119.062 119.062 117.024 2.038 18229 6568 1 11 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.525 0.210 18229 6569 1 11 . 1 1 3 3 HIS C C 3 173.417 173.417 174.148 -0.731 18229 6570 1 11 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.621 -0.317 18229 6571 1 11 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.366 0.181 18229 6572 1 11 . 1 1 3 3 HIS H H 3 8.410 8.410 8.309 0.101 18229 6573 1 11 . 1 1 4 4 SER N N 4 113.520 113.520 112.740 0.780 18229 6574 1 11 . 1 1 4 4 SER HA H 4 5.516 5.516 5.017 0.499 18229 6575 1 11 . 1 1 4 4 SER C C 4 173.602 173.602 173.034 0.568 18229 6576 1 11 . 1 1 4 4 SER CA C 4 57.005 57.005 57.332 -0.327 18229 6577 1 11 . 1 1 4 4 SER CB C 4 65.989 65.989 66.772 -0.784 18229 6578 1 11 . 1 1 4 4 SER H H 4 7.817 7.817 7.359 0.458 18229 6579 1 11 . 1 1 5 5 GLY N N 5 106.959 106.959 106.061 0.898 18229 6580 1 11 . 1 1 5 5 GLY C C 5 171.058 171.058 172.104 -1.046 18229 6581 1 11 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.853 -0.382 18229 6582 1 11 . 1 1 5 5 GLY H H 5 8.356 8.356 8.851 -0.495 18229 6583 1 11 . 1 1 6 6 ALA N N 6 125.264 125.264 124.454 0.810 18229 6584 1 11 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.627 0.334 18229 6585 1 11 . 1 1 6 6 ALA C C 6 176.831 176.831 175.406 1.425 18229 6586 1 11 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.678 1.067 18229 6587 1 11 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.218 -0.838 18229 6588 1 11 . 1 1 6 6 ALA H H 6 8.641 8.641 8.589 0.052 18229 6589 1 11 . 1 1 7 7 ALA N N 7 119.937 119.937 122.720 -2.783 18229 6590 1 11 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.584 0.071 18229 6591 1 11 . 1 1 7 7 ALA C C 7 176.683 176.683 175.422 1.261 18229 6592 1 11 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.527 1.218 18229 6593 1 11 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.009 2.028 18229 6594 1 11 . 1 1 7 7 ALA H H 7 8.370 8.370 8.541 -0.171 18229 6595 1 11 . 1 1 8 8 ILE N N 8 125.430 125.430 119.318 6.112 18229 6596 1 11 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.251 -0.256 18229 6597 1 11 . 1 1 8 8 ILE C C 8 175.310 175.310 175.045 0.265 18229 6598 1 11 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.396 1.556 18229 6599 1 11 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.382 1.305 18229 6600 1 11 . 1 1 8 8 ILE H H 8 9.349 9.349 8.427 0.922 18229 6601 1 11 . 1 1 9 9 PHE N N 9 128.906 128.906 127.510 1.396 18229 6602 1 11 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.518 -0.226 18229 6603 1 11 . 1 1 9 9 PHE C C 9 173.925 173.925 174.523 -0.598 18229 6604 1 11 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.343 0.928 18229 6605 1 11 . 1 1 9 9 PHE CB C 9 39.567 39.567 40.011 -0.444 18229 6606 1 11 . 1 1 9 9 PHE H H 9 8.450 8.450 8.807 -0.357 18229 6607 1 11 . 1 1 10 10 GLU N N 10 126.509 126.509 127.610 -1.101 18229 6608 1 11 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.753 -0.549 18229 6609 1 11 . 1 1 10 10 GLU C C 10 175.157 175.157 175.707 -0.550 18229 6610 1 11 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.813 -0.034 18229 6611 1 11 . 1 1 10 10 GLU CB C 10 26.449 26.449 28.241 -1.792 18229 6612 1 11 . 1 1 10 10 GLU H H 10 8.749 8.749 8.741 0.008 18229 6613 1 11 . 1 1 11 11 LYS N N 11 105.729 105.729 112.970 -7.241 18229 6614 1 11 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.913 -0.510 18229 6615 1 11 . 1 1 11 11 LYS C C 11 175.543 175.543 175.306 0.237 18229 6616 1 11 . 1 1 11 11 LYS CA C 11 58.554 58.554 58.009 0.545 18229 6617 1 11 . 1 1 11 11 LYS CB C 11 30.177 30.177 32.270 -2.092 18229 6618 1 11 . 1 1 11 11 LYS H H 11 7.931 7.931 8.359 -0.428 18229 6619 1 11 . 1 1 12 12 VAL N N 12 123.753 123.753 120.273 3.480 18229 6620 1 11 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.317 0.100 18229 6621 1 11 . 1 1 12 12 VAL C C 12 175.120 175.120 175.168 -0.048 18229 6622 1 11 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.373 0.399 18229 6623 1 11 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.748 -0.467 18229 6624 1 11 . 1 1 12 12 VAL H H 12 7.901 7.901 7.265 0.636 18229 6625 1 11 . 1 1 13 13 SER N N 13 121.941 121.941 121.009 0.932 18229 6626 1 11 . 1 1 13 13 SER HA H 13 4.627 4.627 4.925 -0.298 18229 6627 1 11 . 1 1 13 13 SER C C 13 175.339 175.339 174.123 1.216 18229 6628 1 11 . 1 1 13 13 SER CA C 13 59.813 59.813 58.483 1.330 18229 6629 1 11 . 1 1 13 13 SER CB C 13 63.763 63.763 63.659 0.104 18229 6630 1 11 . 1 1 13 13 SER H H 13 8.876 8.876 8.784 0.092 18229 6631 1 11 . 1 1 14 14 GLY N N 14 113.199 113.199 112.948 0.251 18229 6632 1 11 . 1 1 14 14 GLY C C 14 172.742 172.742 172.076 0.666 18229 6633 1 11 . 1 1 14 14 GLY CA C 14 46.520 46.520 43.922 2.598 18229 6634 1 11 . 1 1 14 14 GLY H H 14 8.277 8.277 9.254 -0.977 18229 6635 1 11 . 1 1 15 15 ILE N N 15 123.240 123.240 119.436 3.804 18229 6636 1 11 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.461 0.349 18229 6637 1 11 . 1 1 15 15 ILE C C 15 175.370 175.370 174.096 1.274 18229 6638 1 11 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.622 0.698 18229 6639 1 11 . 1 1 15 15 ILE CB C 15 41.606 41.606 39.092 2.514 18229 6640 1 11 . 1 1 15 15 ILE H H 15 8.298 8.298 8.707 -0.409 18229 6641 1 11 . 1 1 16 16 ILE N N 16 127.865 127.865 126.924 0.941 18229 6642 1 11 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.521 0.479 18229 6643 1 11 . 1 1 16 16 ILE C C 16 173.119 173.119 174.156 -1.037 18229 6644 1 11 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.820 -0.065 18229 6645 1 11 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.815 1.053 18229 6646 1 11 . 1 1 16 16 ILE H H 16 9.428 9.428 9.013 0.415 18229 6647 1 11 . 1 1 17 17 ALA N N 17 127.742 127.742 129.870 -2.128 18229 6648 1 11 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.904 0.170 18229 6649 1 11 . 1 1 17 17 ALA C C 17 176.203 176.203 176.117 0.086 18229 6650 1 11 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.071 0.320 18229 6651 1 11 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.622 0.568 18229 6652 1 11 . 1 1 17 17 ALA H H 17 8.966 8.966 7.970 0.996 18229 6653 1 11 . 1 1 18 18 ILE N N 18 122.269 122.269 124.600 -2.331 18229 6654 1 11 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.253 0.368 18229 6655 1 11 . 1 1 18 18 ILE C C 18 174.306 174.306 175.596 -1.290 18229 6656 1 11 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.222 -0.722 18229 6657 1 11 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.360 -0.213 18229 6658 1 11 . 1 1 18 18 ILE H H 18 8.672 8.672 8.417 0.255 18229 6659 1 11 . 1 1 19 19 ASN N N 19 127.575 127.575 124.610 2.965 18229 6660 1 11 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.787 0.275 18229 6661 1 11 . 1 1 19 19 ASN C C 19 174.730 174.730 174.875 -0.145 18229 6662 1 11 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.182 -0.453 18229 6663 1 11 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.686 -0.190 18229 6664 1 11 . 1 1 19 19 ASN H H 19 9.350 9.350 8.891 0.459 18229 6665 1 11 . 1 1 20 20 GLU N N 20 121.547 121.547 123.135 -1.588 18229 6666 1 11 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.107 0.570 18229 6667 1 11 . 1 1 20 20 GLU C C 20 176.091 176.091 176.173 -0.082 18229 6668 1 11 . 1 1 20 20 GLU CA C 20 55.802 55.802 58.156 -2.354 18229 6669 1 11 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.842 0.830 18229 6670 1 11 . 1 1 20 20 GLU H H 20 9.037 9.037 8.210 0.827 18229 6671 1 11 . 1 1 21 21 ASP N N 21 121.086 121.086 117.336 3.750 18229 6672 1 11 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.604 0.025 18229 6673 1 11 . 1 1 21 21 ASP C C 21 175.651 175.651 176.574 -0.923 18229 6674 1 11 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.437 1.062 18229 6675 1 11 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.775 -0.225 18229 6676 1 11 . 1 1 21 21 ASP H H 21 8.706 8.706 8.233 0.473 18229 6677 1 11 . 1 1 22 22 VAL N N 22 113.108 113.108 117.508 -4.400 18229 6678 1 11 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.355 -0.039 18229 6679 1 11 . 1 1 22 22 VAL C C 22 173.407 173.407 175.018 -1.611 18229 6680 1 11 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.192 -1.039 18229 6681 1 11 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.132 0.897 18229 6682 1 11 . 1 1 22 22 VAL H H 22 6.819 6.819 7.391 -0.572 18229 6683 1 11 . 1 1 23 23 SER N N 23 115.009 115.009 113.762 1.247 18229 6684 1 11 . 1 1 23 23 SER HA H 23 4.735 4.735 4.561 0.174 18229 6685 1 11 . 1 1 23 23 SER CA C 23 53.848 53.848 57.536 -3.688 18229 6686 1 11 . 1 1 23 23 SER CB C 23 64.810 64.810 63.144 1.666 18229 6687 1 11 . 1 1 23 23 SER H H 23 8.032 8.032 8.068 -0.036 18229 6688 1 11 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.395 0.389 18229 6689 1 11 . 1 1 24 24 PRO C C 24 174.825 174.825 175.877 -1.052 18229 6690 1 11 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.162 0.686 18229 6691 1 11 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.020 2.781 18229 6692 1 11 . 1 1 25 25 ALA N N 25 120.477 120.477 121.511 -1.034 18229 6693 1 11 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.256 0.259 18229 6694 1 11 . 1 1 25 25 ALA C C 25 175.878 175.878 176.839 -0.961 18229 6695 1 11 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.440 0.168 18229 6696 1 11 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.314 0.140 18229 6697 1 11 . 1 1 25 25 ALA H H 25 8.013 8.013 8.224 -0.211 18229 6698 1 11 . 1 1 26 26 GLU N N 26 115.417 115.417 115.288 0.129 18229 6699 1 11 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.209 -0.138 18229 6700 1 11 . 1 1 26 26 GLU C C 26 174.599 174.599 174.957 -0.358 18229 6701 1 11 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.471 -1.484 18229 6702 1 11 . 1 1 26 26 GLU CB C 26 34.265 34.265 34.425 -0.160 18229 6703 1 11 . 1 1 26 26 GLU H H 26 7.821 7.821 7.921 -0.100 18229 6704 1 11 . 1 1 27 27 LEU N N 27 124.622 124.622 123.485 1.137 18229 6705 1 11 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.238 -0.200 18229 6706 1 11 . 1 1 27 27 LEU C C 27 174.704 174.704 175.471 -0.767 18229 6707 1 11 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.140 0.617 18229 6708 1 11 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.618 1.028 18229 6709 1 11 . 1 1 27 27 LEU H H 27 8.863 8.863 8.996 -0.133 18229 6710 1 11 . 1 1 28 28 THR N N 28 121.755 121.755 119.956 1.799 18229 6711 1 11 . 1 1 28 28 THR HA H 28 5.152 5.152 4.960 0.192 18229 6712 1 11 . 1 1 28 28 THR C C 28 172.573 172.573 173.239 -0.666 18229 6713 1 11 . 1 1 28 28 THR CA C 28 61.452 61.452 62.565 -1.113 18229 6714 1 11 . 1 1 28 28 THR CB C 28 71.480 71.480 69.904 1.576 18229 6715 1 11 . 1 1 28 28 THR H H 28 9.276 9.276 8.986 0.290 18229 6716 1 11 . 1 1 29 29 TRP N N 29 128.764 128.764 131.038 -2.274 18229 6717 1 11 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.924 0.524 18229 6718 1 11 . 1 1 29 29 TRP C C 29 173.881 173.881 174.323 -0.442 18229 6719 1 11 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.233 -0.443 18229 6720 1 11 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.966 1.364 18229 6721 1 11 . 1 1 29 29 TRP H H 29 9.383 9.383 9.552 -0.169 18229 6722 1 11 . 1 1 30 30 ARG N N 30 126.417 126.417 130.475 -4.058 18229 6723 1 11 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.531 0.276 18229 6724 1 11 . 1 1 30 30 ARG C C 30 174.712 174.712 175.034 -0.322 18229 6725 1 11 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.727 -0.259 18229 6726 1 11 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.870 -0.052 18229 6727 1 11 . 1 1 30 30 ARG H H 30 7.579 7.579 9.145 -1.566 18229 6728 1 11 . 1 1 31 31 SER N N 31 118.415 118.415 121.321 -2.906 18229 6729 1 11 . 1 1 31 31 SER HA H 31 4.480 4.480 3.673 0.807 18229 6730 1 11 . 1 1 31 31 SER C C 31 176.360 176.360 175.154 1.206 18229 6731 1 11 . 1 1 31 31 SER CA C 31 58.070 58.070 59.964 -1.894 18229 6732 1 11 . 1 1 31 31 SER CB C 31 64.272 64.272 64.020 0.252 18229 6733 1 11 . 1 1 31 31 SER H H 31 8.078 8.078 8.547 -0.469 18229 6734 1 11 . 1 1 32 32 THR N N 32 119.175 119.175 120.110 -0.935 18229 6735 1 11 . 1 1 32 32 THR HA H 32 3.847 3.847 4.135 -0.288 18229 6736 1 11 . 1 1 32 32 THR C C 32 175.602 175.602 175.461 0.141 18229 6737 1 11 . 1 1 32 32 THR CA C 32 66.265 66.265 64.950 1.315 18229 6738 1 11 . 1 1 32 32 THR CB C 32 68.557 68.557 69.020 -0.463 18229 6739 1 11 . 1 1 32 32 THR H H 32 8.520 8.520 8.477 0.043 18229 6740 1 11 . 1 1 33 33 ASP N N 33 117.286 117.286 119.823 -2.537 18229 6741 1 11 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.670 -0.053 18229 6742 1 11 . 1 1 33 33 ASP C C 33 177.056 177.056 176.450 0.606 18229 6743 1 11 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.864 -0.639 18229 6744 1 11 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.510 -0.632 18229 6745 1 11 . 1 1 33 33 ASP H H 33 8.223 8.223 7.708 0.515 18229 6746 1 11 . 1 1 34 34 GLY N N 34 109.197 109.197 108.539 0.658 18229 6747 1 11 . 1 1 34 34 GLY C C 34 173.762 173.762 174.642 -0.880 18229 6748 1 11 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.974 0.425 18229 6749 1 11 . 1 1 34 34 GLY H H 34 7.914 7.914 7.651 0.263 18229 6750 1 11 . 1 1 35 35 ASP N N 35 118.081 118.081 119.905 -1.824 18229 6751 1 11 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.663 -0.144 18229 6752 1 11 . 1 1 35 35 ASP C C 35 175.366 175.366 176.037 -0.671 18229 6753 1 11 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.121 -0.261 18229 6754 1 11 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.446 -0.473 18229 6755 1 11 . 1 1 35 35 ASP H H 35 8.238 8.238 7.907 0.331 18229 6756 1 11 . 1 1 36 36 LYS N N 36 120.362 120.362 115.466 4.896 18229 6757 1 11 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.376 0.458 18229 6758 1 11 . 1 1 36 36 LYS C C 36 174.568 174.568 173.661 0.907 18229 6759 1 11 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.326 0.210 18229 6760 1 11 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.015 0.764 18229 6761 1 11 . 1 1 36 36 LYS H H 36 7.749 7.749 7.738 0.011 18229 6762 1 11 . 1 1 37 37 VAL N N 37 121.758 121.758 119.053 2.705 18229 6763 1 11 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.144 0.127 18229 6764 1 11 . 1 1 37 37 VAL C C 37 175.209 175.209 174.218 0.991 18229 6765 1 11 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.327 -0.064 18229 6766 1 11 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.568 0.415 18229 6767 1 11 . 1 1 37 37 VAL H H 37 8.526 8.526 8.333 0.193 18229 6768 1 11 . 1 1 38 38 HIS N N 38 126.087 126.087 125.206 0.881 18229 6769 1 11 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.913 0.108 18229 6770 1 11 . 1 1 38 38 HIS C C 38 173.116 173.116 174.318 -1.202 18229 6771 1 11 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.847 0.961 18229 6772 1 11 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.538 0.445 18229 6773 1 11 . 1 1 38 38 HIS H H 38 9.633 9.633 9.503 0.130 18229 6774 1 11 . 1 1 39 39 THR N N 39 124.455 124.455 120.898 3.557 18229 6775 1 11 . 1 1 39 39 THR HA H 39 5.155 5.155 5.185 -0.030 18229 6776 1 11 . 1 1 39 39 THR C C 39 173.102 173.102 173.743 -0.641 18229 6777 1 11 . 1 1 39 39 THR CA C 39 61.637 61.637 61.444 0.193 18229 6778 1 11 . 1 1 39 39 THR CB C 39 70.716 70.716 69.725 0.992 18229 6779 1 11 . 1 1 39 39 THR H H 39 8.415 8.415 8.577 -0.162 18229 6780 1 11 . 1 1 40 40 VAL N N 40 126.066 126.066 123.995 2.071 18229 6781 1 11 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.253 -0.300 18229 6782 1 11 . 1 1 40 40 VAL C C 40 174.693 174.693 173.886 0.807 18229 6783 1 11 . 1 1 40 40 VAL CA C 40 60.348 60.348 59.892 0.456 18229 6784 1 11 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.169 -1.895 18229 6785 1 11 . 1 1 40 40 VAL H H 40 9.387 9.387 9.254 0.133 18229 6786 1 11 . 1 1 41 41 VAL N N 41 129.775 129.775 128.331 1.444 18229 6787 1 11 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.504 -0.516 18229 6788 1 11 . 1 1 41 41 VAL C C 41 179.424 179.424 176.591 2.833 18229 6789 1 11 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.816 2.928 18229 6790 1 11 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.247 -0.296 18229 6791 1 11 . 1 1 41 41 VAL H H 41 9.021 9.021 8.732 0.289 18229 6792 1 11 . 1 1 42 42 LEU N N 42 129.645 129.645 128.204 1.441 18229 6793 1 11 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.129 -0.156 18229 6794 1 11 . 1 1 42 42 LEU C C 42 176.259 176.259 177.953 -1.694 18229 6795 1 11 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.474 1.169 18229 6796 1 11 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.364 -0.536 18229 6797 1 11 . 1 1 42 42 LEU H H 42 9.147 9.147 8.641 0.506 18229 6798 1 11 . 1 1 43 43 SER N N 43 110.158 110.158 112.016 -1.858 18229 6799 1 11 . 1 1 43 43 SER HA H 43 4.310 4.310 4.133 0.177 18229 6800 1 11 . 1 1 43 43 SER C C 43 175.263 175.263 175.925 -0.662 18229 6801 1 11 . 1 1 43 43 SER CA C 43 59.620 59.620 60.591 -0.971 18229 6802 1 11 . 1 1 43 43 SER CB C 43 61.543 61.543 63.541 -1.998 18229 6803 1 11 . 1 1 43 43 SER H H 43 7.006 7.006 8.233 -1.227 18229 6804 1 11 . 1 1 44 44 THR N N 44 110.206 110.206 114.325 -4.119 18229 6805 1 11 . 1 1 44 44 THR HA H 44 4.504 4.504 4.205 0.299 18229 6806 1 11 . 1 1 44 44 THR C C 44 173.489 173.489 175.749 -2.260 18229 6807 1 11 . 1 1 44 44 THR CA C 44 62.024 62.024 63.829 -1.805 18229 6808 1 11 . 1 1 44 44 THR CB C 44 69.805 69.805 68.847 0.958 18229 6809 1 11 . 1 1 44 44 THR H H 44 7.571 7.571 7.669 -0.098 18229 6810 1 11 . 1 1 45 45 ILE N N 45 120.322 120.322 123.825 -3.503 18229 6811 1 11 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.201 0.066 18229 6812 1 11 . 1 1 45 45 ILE C C 45 174.103 174.103 176.199 -2.096 18229 6813 1 11 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.581 -3.611 18229 6814 1 11 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.822 0.738 18229 6815 1 11 . 1 1 45 45 ILE H H 45 6.975 6.975 8.058 -1.083 18229 6816 1 11 . 1 1 46 46 ASP N N 46 126.492 126.492 127.630 -1.138 18229 6817 1 11 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.359 0.352 18229 6818 1 11 . 1 1 46 46 ASP C C 46 175.431 175.431 175.420 0.011 18229 6819 1 11 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.796 -1.963 18229 6820 1 11 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.715 2.820 18229 6821 1 11 . 1 1 46 46 ASP H H 46 9.262 9.262 8.682 0.580 18229 6822 1 11 . 1 1 47 47 LYS N N 47 112.726 112.726 112.771 -0.045 18229 6823 1 11 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.477 0.230 18229 6824 1 11 . 1 1 47 47 LYS C C 47 172.673 172.673 173.941 -1.268 18229 6825 1 11 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.525 -0.704 18229 6826 1 11 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.563 2.046 18229 6827 1 11 . 1 1 47 47 LYS H H 47 7.572 7.572 7.404 0.168 18229 6828 1 11 . 1 1 48 48 LEU N N 48 124.840 124.840 123.470 1.370 18229 6829 1 11 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.909 0.142 18229 6830 1 11 . 1 1 48 48 LEU C C 48 173.965 173.965 175.862 -1.897 18229 6831 1 11 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.144 -1.124 18229 6832 1 11 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.379 2.185 18229 6833 1 11 . 1 1 48 48 LEU H H 48 9.013 9.013 8.464 0.549 18229 6834 1 11 . 1 1 49 49 GLN N N 49 121.648 121.648 125.536 -3.888 18229 6835 1 11 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.774 0.744 18229 6836 1 11 . 1 1 49 49 GLN C C 49 174.700 174.700 174.017 0.683 18229 6837 1 11 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.133 -0.534 18229 6838 1 11 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.823 1.203 18229 6839 1 11 . 1 1 49 49 GLN H H 49 9.260 9.260 9.431 -0.171 18229 6840 1 11 . 1 1 50 50 ALA N N 50 122.020 122.020 124.028 -2.008 18229 6841 1 11 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.084 0.663 18229 6842 1 11 . 1 1 50 50 ALA C C 50 177.167 177.167 176.633 0.534 18229 6843 1 11 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.199 -0.607 18229 6844 1 11 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.111 2.252 18229 6845 1 11 . 1 1 50 50 ALA H H 50 9.286 9.286 8.365 0.921 18229 6846 1 11 . 1 1 51 51 THR N N 51 114.222 114.222 116.259 -2.037 18229 6847 1 11 . 1 1 51 51 THR HA H 51 4.735 4.735 4.406 0.329 18229 6848 1 11 . 1 1 51 51 THR CA C 51 59.228 59.228 61.048 -1.820 18229 6849 1 11 . 1 1 51 51 THR CB C 51 67.954 67.954 68.136 -0.182 18229 6850 1 11 . 1 1 51 51 THR H H 51 8.340 8.340 8.951 -0.611 18229 6851 1 11 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.464 0.106 18229 6852 1 11 . 1 1 52 52 PRO C C 52 178.621 178.621 177.627 0.994 18229 6853 1 11 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.362 0.066 18229 6854 1 11 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.623 0.096 18229 6855 1 11 . 1 1 53 53 ALA N N 53 126.566 126.566 123.106 3.460 18229 6856 1 11 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.106 -0.051 18229 6857 1 11 . 1 1 53 53 ALA C C 53 177.578 177.578 178.284 -0.706 18229 6858 1 11 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.485 0.335 18229 6859 1 11 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.632 -0.775 18229 6860 1 11 . 1 1 53 53 ALA H H 53 9.109 9.109 8.487 0.622 18229 6861 1 11 . 1 1 54 54 SER N N 54 107.184 107.184 110.773 -3.589 18229 6862 1 11 . 1 1 54 54 SER HA H 54 4.235 4.235 4.307 -0.072 18229 6863 1 11 . 1 1 54 54 SER C C 54 174.838 174.838 174.803 0.035 18229 6864 1 11 . 1 1 54 54 SER CA C 54 58.116 58.116 59.678 -1.562 18229 6865 1 11 . 1 1 54 54 SER CB C 54 63.021 63.021 63.067 -0.046 18229 6866 1 11 . 1 1 54 54 SER H H 54 7.595 7.595 8.086 -0.491 18229 6867 1 11 . 1 1 55 55 SER N N 55 117.098 117.098 118.773 -1.675 18229 6868 1 11 . 1 1 55 55 SER HA H 55 4.484 4.484 4.604 -0.120 18229 6869 1 11 . 1 1 55 55 SER C C 55 174.833 174.833 174.128 0.705 18229 6870 1 11 . 1 1 55 55 SER CA C 55 57.510 57.510 57.817 -0.307 18229 6871 1 11 . 1 1 55 55 SER CB C 55 64.121 64.121 64.183 -0.062 18229 6872 1 11 . 1 1 55 55 SER H H 55 7.613 7.613 7.513 0.099 18229 6873 1 11 . 1 1 56 56 GLU N N 56 125.258 125.258 124.220 1.038 18229 6874 1 11 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.046 0.083 18229 6875 1 11 . 1 1 56 56 GLU C C 56 177.852 177.852 176.735 1.117 18229 6876 1 11 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.576 -0.964 18229 6877 1 11 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.856 -0.432 18229 6878 1 11 . 1 1 56 56 GLU H H 56 8.849 8.849 8.859 -0.010 18229 6879 1 11 . 1 1 57 57 LYS N N 57 119.058 119.058 119.229 -0.171 18229 6880 1 11 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.252 0.047 18229 6881 1 11 . 1 1 57 57 LYS C C 57 175.699 175.699 175.766 -0.067 18229 6882 1 11 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.436 0.209 18229 6883 1 11 . 1 1 57 57 LYS CB C 57 33.270 33.270 30.077 3.193 18229 6884 1 11 . 1 1 57 57 LYS H H 57 8.060 8.060 8.091 -0.031 18229 6885 1 11 . 1 1 58 58 MET N N 58 123.967 123.967 122.747 1.220 18229 6886 1 11 . 1 1 58 58 MET HA H 58 4.345 4.345 4.203 0.142 18229 6887 1 11 . 1 1 58 58 MET C C 58 174.213 174.213 175.512 -1.299 18229 6888 1 11 . 1 1 58 58 MET CA C 58 55.170 55.170 56.164 -0.994 18229 6889 1 11 . 1 1 58 58 MET CB C 58 35.330 35.330 31.826 3.504 18229 6890 1 11 . 1 1 58 58 MET H H 58 8.828 8.828 8.510 0.318 18229 6891 1 11 . 1 1 59 59 MET N N 59 120.929 120.929 122.845 -1.916 18229 6892 1 11 . 1 1 59 59 MET HA H 59 5.905 5.905 5.416 0.489 18229 6893 1 11 . 1 1 59 59 MET C C 59 174.521 174.521 174.083 0.438 18229 6894 1 11 . 1 1 59 59 MET CA C 59 55.038 55.038 55.346 -0.308 18229 6895 1 11 . 1 1 59 59 MET CB C 59 39.549 39.549 37.481 2.068 18229 6896 1 11 . 1 1 59 59 MET H H 59 8.528 8.528 9.514 -0.986 18229 6897 1 11 . 1 1 60 60 LEU N N 60 117.623 117.623 121.948 -4.325 18229 6898 1 11 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.073 0.592 18229 6899 1 11 . 1 1 60 60 LEU C C 60 175.763 175.763 175.141 0.622 18229 6900 1 11 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.903 -0.718 18229 6901 1 11 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.300 2.261 18229 6902 1 11 . 1 1 60 60 LEU H H 60 9.052 9.052 9.718 -0.666 18229 6903 1 11 . 1 1 61 61 ARG N N 61 120.407 120.407 121.632 -1.225 18229 6904 1 11 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.715 -0.244 18229 6905 1 11 . 1 1 61 61 ARG C C 61 173.286 173.286 174.004 -0.718 18229 6906 1 11 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.419 0.512 18229 6907 1 11 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.482 -0.147 18229 6908 1 11 . 1 1 61 61 ARG H H 61 9.180 9.180 9.539 -0.359 18229 6909 1 11 . 1 1 62 62 LEU N N 62 126.471 126.471 125.543 0.928 18229 6910 1 11 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.215 -0.017 18229 6911 1 11 . 1 1 62 62 LEU C C 62 175.447 175.447 176.117 -0.670 18229 6912 1 11 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.377 0.031 18229 6913 1 11 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.692 -1.259 18229 6914 1 11 . 1 1 62 62 LEU H H 62 9.203 9.203 8.965 0.238 18229 6915 1 11 . 1 1 63 63 ILE N N 63 123.282 123.282 123.056 0.226 18229 6916 1 11 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.189 0.508 18229 6917 1 11 . 1 1 63 63 ILE C C 63 176.525 176.525 175.579 0.946 18229 6918 1 11 . 1 1 63 63 ILE CA C 63 59.676 59.676 60.395 -0.719 18229 6919 1 11 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.844 0.861 18229 6920 1 11 . 1 1 63 63 ILE H H 63 8.983 8.983 8.947 0.036 18229 6921 1 11 . 1 1 64 64 GLY N N 64 115.647 115.647 109.706 5.941 18229 6922 1 11 . 1 1 64 64 GLY C C 64 172.300 172.300 173.271 -0.971 18229 6923 1 11 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.598 2.064 18229 6924 1 11 . 1 1 64 64 GLY H H 64 9.372 9.372 8.151 1.221 18229 6925 1 11 . 1 1 65 65 LYS N N 65 119.107 119.107 123.126 -4.019 18229 6926 1 11 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.088 0.218 18229 6927 1 11 . 1 1 65 65 LYS C C 65 177.404 177.404 176.036 1.368 18229 6928 1 11 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.203 -0.702 18229 6929 1 11 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.535 1.883 18229 6930 1 11 . 1 1 65 65 LYS H H 65 8.289 8.289 8.011 0.278 18229 6931 1 11 . 1 1 66 66 VAL N N 66 122.231 122.231 123.485 -1.254 18229 6932 1 11 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.197 -0.118 18229 6933 1 11 . 1 1 66 66 VAL C C 66 175.253 175.253 175.813 -0.560 18229 6934 1 11 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.215 0.921 18229 6935 1 11 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.651 -0.367 18229 6936 1 11 . 1 1 66 66 VAL H H 66 8.607 8.607 8.186 0.421 18229 6937 1 11 . 1 1 67 67 ASP N N 67 125.538 125.538 124.990 0.548 18229 6938 1 11 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.831 -0.132 18229 6939 1 11 . 1 1 67 67 ASP C C 67 176.601 176.601 175.898 0.703 18229 6940 1 11 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.568 -0.510 18229 6941 1 11 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.355 0.517 18229 6942 1 11 . 1 1 67 67 ASP H H 67 8.457 8.457 8.758 -0.301 18229 6943 1 11 . 1 1 68 68 GLU N N 68 124.433 124.433 120.143 4.290 18229 6944 1 11 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.321 -0.197 18229 6945 1 11 . 1 1 68 68 GLU C C 68 177.344 177.344 176.508 0.836 18229 6946 1 11 . 1 1 68 68 GLU CA C 68 57.635 57.635 56.299 1.336 18229 6947 1 11 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.234 0.446 18229 6948 1 11 . 1 1 68 68 GLU H H 68 8.712 8.712 8.139 0.573 18229 6949 1 11 . 1 1 69 69 SER N N 69 115.596 115.596 113.486 2.110 18229 6950 1 11 . 1 1 69 69 SER HA H 69 4.328 4.328 4.332 -0.004 18229 6951 1 11 . 1 1 69 69 SER C C 69 175.180 175.180 175.395 -0.215 18229 6952 1 11 . 1 1 69 69 SER CA C 69 60.146 60.146 59.489 0.658 18229 6953 1 11 . 1 1 69 69 SER CB C 69 63.383 63.383 63.144 0.239 18229 6954 1 11 . 1 1 69 69 SER H H 69 8.467 8.467 8.155 0.312 18229 6955 1 11 . 1 1 70 70 LYS N N 70 121.738 121.738 121.769 -0.031 18229 6956 1 11 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.237 0.169 18229 6957 1 11 . 1 1 70 70 LYS C C 70 176.165 176.165 175.773 0.392 18229 6958 1 11 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.200 -0.790 18229 6959 1 11 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.062 -0.562 18229 6960 1 11 . 1 1 70 70 LYS H H 70 7.675 7.675 7.722 -0.047 18229 6961 1 11 . 1 1 71 71 LYS N N 71 121.087 121.087 117.290 3.797 18229 6962 1 11 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.119 0.289 18229 6963 1 11 . 1 1 71 71 LYS C C 71 176.134 176.134 174.795 1.339 18229 6964 1 11 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.837 -0.232 18229 6965 1 11 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.981 1.302 18229 6966 1 11 . 1 1 71 71 LYS H H 71 7.739 7.739 8.271 -0.532 18229 6967 1 11 . 1 1 72 72 ARG N N 72 122.147 122.147 119.113 3.034 18229 6968 1 11 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.548 0.036 18229 6969 1 11 . 1 1 72 72 ARG C C 72 175.217 175.217 174.236 0.981 18229 6970 1 11 . 1 1 72 72 ARG CA C 72 55.041 55.041 53.841 1.200 18229 6971 1 11 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.841 0.513 18229 6972 1 11 . 1 1 72 72 ARG H H 72 8.402 8.402 7.800 0.602 18229 6973 1 11 . 1 1 73 73 LYS N N 73 121.242 121.242 120.547 0.695 18229 6974 1 11 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.630 0.269 18229 6975 1 11 . 1 1 73 73 LYS C C 73 176.966 176.966 176.152 0.814 18229 6976 1 11 . 1 1 73 73 LYS CA C 73 55.365 55.365 54.813 0.552 18229 6977 1 11 . 1 1 73 73 LYS CB C 73 34.631 34.631 32.632 1.999 18229 6978 1 11 . 1 1 73 73 LYS H H 73 8.386 8.386 8.322 0.064 18229 6979 1 11 . 1 1 74 74 ASP N N 74 122.007 122.007 118.101 3.906 18229 6980 1 11 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.715 -0.064 18229 6981 1 11 . 1 1 74 74 ASP C C 74 177.401 177.401 175.963 1.438 18229 6982 1 11 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.078 -2.238 18229 6983 1 11 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.704 -0.696 18229 6984 1 11 . 1 1 74 74 ASP H H 74 8.559 8.559 8.410 0.149 18229 6985 1 11 . 1 1 75 75 ASN N N 75 116.263 116.263 114.834 1.429 18229 6986 1 11 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.706 -0.171 18229 6987 1 11 . 1 1 75 75 ASN C C 75 175.944 175.944 174.232 1.712 18229 6988 1 11 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.138 1.739 18229 6989 1 11 . 1 1 75 75 ASN CB C 75 38.110 38.110 39.082 -0.972 18229 6990 1 11 . 1 1 75 75 ASN H H 75 8.414 8.414 7.929 0.485 18229 6991 1 11 . 1 1 76 76 GLU N N 76 118.940 118.940 120.726 -1.786 18229 6992 1 11 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.503 -0.110 18229 6993 1 11 . 1 1 76 76 GLU C C 76 176.512 176.512 176.421 0.091 18229 6994 1 11 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.889 0.277 18229 6995 1 11 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.946 0.064 18229 6996 1 11 . 1 1 76 76 GLU H H 76 8.133 8.133 8.336 -0.203 18229 6997 1 11 . 1 1 77 77 GLY N N 77 108.056 108.056 108.393 -0.337 18229 6998 1 11 . 1 1 77 77 GLY C C 77 174.193 174.193 174.009 0.184 18229 6999 1 11 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.616 -0.329 18229 7000 1 11 . 1 1 77 77 GLY H H 77 8.083 8.083 8.272 -0.189 18229 7001 1 11 . 1 1 78 78 ASN N N 78 119.896 119.896 116.936 2.960 18229 7002 1 11 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.588 0.154 18229 7003 1 11 . 1 1 78 78 ASN C C 78 175.006 175.006 174.905 0.101 18229 7004 1 11 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.863 -0.036 18229 7005 1 11 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.222 -0.226 18229 7006 1 11 . 1 1 78 78 ASN H H 78 8.537 8.537 8.002 0.535 18229 7007 1 11 . 1 1 79 79 GLU N N 79 121.648 121.648 117.901 3.747 18229 7008 1 11 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.654 -0.183 18229 7009 1 11 . 1 1 79 79 GLU C C 79 176.268 176.268 176.202 0.066 18229 7010 1 11 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.981 0.629 18229 7011 1 11 . 1 1 79 79 GLU CB C 79 30.307 30.307 30.610 -0.303 18229 7012 1 11 . 1 1 79 79 GLU H H 79 8.674 8.674 8.337 0.337 18229 7013 1 11 . 1 1 80 80 VAL N N 80 124.083 124.083 126.936 -2.853 18229 7014 1 11 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.027 0.221 18229 7015 1 11 . 1 1 80 80 VAL C C 80 175.537 175.537 176.394 -0.857 18229 7016 1 11 . 1 1 80 80 VAL CA C 80 61.465 61.465 64.356 -2.891 18229 7017 1 11 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.581 0.973 18229 7018 1 11 . 1 1 80 80 VAL H H 80 8.554 8.554 9.182 -0.628 18229 7019 1 11 . 1 1 81 81 VAL N N 81 126.640 126.640 119.410 7.230 18229 7020 1 11 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.829 0.598 18229 7021 1 11 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.977 -2.373 18229 7022 1 11 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.920 0.956 18229 7023 1 11 . 1 1 81 81 VAL H H 81 8.390 8.390 7.848 0.542 18229 7024 1 11 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.309 0.118 18229 7025 1 11 . 1 1 82 82 PRO C C 82 176.034 176.034 176.208 -0.174 18229 7026 1 11 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.534 -0.824 18229 7027 1 11 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.031 0.322 18229 7028 1 11 . 1 1 83 83 LYS N N 83 121.719 121.719 124.872 -3.153 18229 7029 1 11 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.436 0.112 18229 7030 1 11 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.092 -1.236 18229 7031 1 11 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.670 -0.341 18229 7032 1 11 . 1 1 83 83 LYS H H 83 8.308 8.308 8.304 0.004 18229 7033 1 11 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.517 -0.221 18229 7034 1 11 . 1 1 84 84 PRO C C 84 176.773 176.773 175.821 0.952 18229 7035 1 11 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.445 0.111 18229 7036 1 11 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.394 0.224 18229 7037 1 11 . 1 1 85 85 GLN N N 85 121.395 121.395 119.763 1.632 18229 7038 1 11 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.551 -0.410 18229 7039 1 11 . 1 1 85 85 GLN C C 85 174.940 174.940 174.292 0.648 18229 7040 1 11 . 1 1 85 85 GLN CA C 85 56.062 56.062 54.857 1.205 18229 7041 1 11 . 1 1 85 85 GLN CB C 85 29.730 29.730 30.768 -1.038 18229 7042 1 11 . 1 1 85 85 GLN H H 85 8.464 8.464 8.491 -0.027 18229 7043 1 11 . 1 1 86 86 ARG N N 86 121.035 121.035 122.386 -1.351 18229 7044 1 11 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.815 0.312 18229 7045 1 11 . 1 1 86 86 ARG C C 86 175.052 175.052 175.473 -0.421 18229 7046 1 11 . 1 1 86 86 ARG CA C 86 54.534 54.534 53.999 0.535 18229 7047 1 11 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.942 0.391 18229 7048 1 11 . 1 1 86 86 ARG H H 86 8.248 8.248 8.420 -0.172 18229 7049 1 11 . 1 1 87 87 HIS N N 87 120.780 120.780 120.951 -0.171 18229 7050 1 11 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.477 0.205 18229 7051 1 11 . 1 1 87 87 HIS C C 87 173.558 173.558 173.602 -0.044 18229 7052 1 11 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.729 -0.537 18229 7053 1 11 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.214 2.840 18229 7054 1 11 . 1 1 87 87 HIS H H 87 8.659 8.659 8.966 -0.307 18229 7055 1 11 . 1 1 88 88 MET N N 88 126.780 126.780 124.192 2.588 18229 7056 1 11 . 1 1 88 88 MET HA H 88 5.283 5.283 4.394 0.889 18229 7057 1 11 . 1 1 88 88 MET C C 88 173.297 173.297 173.593 -0.296 18229 7058 1 11 . 1 1 88 88 MET CA C 88 54.835 54.835 54.993 -0.158 18229 7059 1 11 . 1 1 88 88 MET CB C 88 35.794 35.794 33.840 1.954 18229 7060 1 11 . 1 1 88 88 MET H H 88 8.710 8.710 8.304 0.406 18229 7061 1 11 . 1 1 89 89 PHE N N 89 122.543 122.543 124.836 -2.293 18229 7062 1 11 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.339 -0.144 18229 7063 1 11 . 1 1 89 89 PHE C C 89 174.410 174.410 174.928 -0.518 18229 7064 1 11 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.866 0.513 18229 7065 1 11 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.409 2.780 18229 7066 1 11 . 1 1 89 89 PHE H H 89 8.969 8.969 9.490 -0.521 18229 7067 1 11 . 1 1 90 90 SER N N 90 116.192 116.192 119.246 -3.054 18229 7068 1 11 . 1 1 90 90 SER HA H 90 5.696 5.696 4.815 0.881 18229 7069 1 11 . 1 1 90 90 SER C C 90 173.030 173.030 173.831 -0.801 18229 7070 1 11 . 1 1 90 90 SER CA C 90 56.771 56.771 57.811 -1.040 18229 7071 1 11 . 1 1 90 90 SER CB C 90 64.961 64.961 63.658 1.303 18229 7072 1 11 . 1 1 90 90 SER H H 90 8.657 8.657 8.393 0.264 18229 7073 1 11 . 1 1 91 91 PHE N N 91 120.710 120.710 126.615 -5.905 18229 7074 1 11 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.654 0.233 18229 7075 1 11 . 1 1 91 91 PHE C C 91 174.442 174.442 175.150 -0.708 18229 7076 1 11 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.561 -1.136 18229 7077 1 11 . 1 1 91 91 PHE CB C 91 43.392 43.392 41.085 2.307 18229 7078 1 11 . 1 1 91 91 PHE H H 91 9.001 9.001 8.819 0.182 18229 7079 1 11 . 1 1 92 92 ASN N N 92 115.967 115.967 119.609 -3.642 18229 7080 1 11 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.887 0.220 18229 7081 1 11 . 1 1 92 92 ASN C C 92 174.835 174.835 173.761 1.074 18229 7082 1 11 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.901 -0.650 18229 7083 1 11 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.132 0.757 18229 7084 1 11 . 1 1 92 92 ASN H H 92 9.093 9.093 9.066 0.027 18229 7085 1 11 . 1 1 93 93 ASN N N 93 118.401 118.401 117.015 1.386 18229 7086 1 11 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.793 0.129 18229 7087 1 11 . 1 1 93 93 ASN C C 93 174.524 174.524 174.460 0.064 18229 7088 1 11 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.429 -0.416 18229 7089 1 11 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.289 1.472 18229 7090 1 11 . 1 1 93 93 ASN H H 93 7.252 7.252 7.619 -0.367 18229 7091 1 11 . 1 1 94 94 ARG N N 94 129.175 129.175 122.951 6.224 18229 7092 1 11 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.146 -0.281 18229 7093 1 11 . 1 1 94 94 ARG C C 94 176.797 176.797 177.602 -0.805 18229 7094 1 11 . 1 1 94 94 ARG CA C 94 59.483 59.483 58.331 1.151 18229 7095 1 11 . 1 1 94 94 ARG CB C 94 30.129 30.129 29.994 0.135 18229 7096 1 11 . 1 1 94 94 ARG H H 94 9.309 9.309 8.946 0.363 18229 7097 1 11 . 1 1 95 95 THR N N 95 115.594 115.594 113.684 1.910 18229 7098 1 11 . 1 1 95 95 THR HA H 95 4.021 4.021 4.143 -0.122 18229 7099 1 11 . 1 1 95 95 THR C C 95 176.735 176.735 176.110 0.625 18229 7100 1 11 . 1 1 95 95 THR CA C 95 66.430 66.430 66.281 0.149 18229 7101 1 11 . 1 1 95 95 THR CB C 95 68.357 68.357 68.543 -0.186 18229 7102 1 11 . 1 1 95 95 THR H H 95 7.973 7.973 8.193 -0.220 18229 7103 1 11 . 1 1 96 96 VAL N N 96 121.833 121.833 121.640 0.193 18229 7104 1 11 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.588 0.195 18229 7105 1 11 . 1 1 96 96 VAL C C 96 177.561 177.561 177.797 -0.236 18229 7106 1 11 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.244 -0.119 18229 7107 1 11 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.527 0.674 18229 7108 1 11 . 1 1 96 96 VAL H H 96 7.565 7.565 7.387 0.178 18229 7109 1 11 . 1 1 97 97 MET N N 97 117.429 117.429 117.774 -0.345 18229 7110 1 11 . 1 1 97 97 MET HA H 97 4.551 4.551 3.434 1.117 18229 7111 1 11 . 1 1 97 97 MET C C 97 177.257 177.257 178.461 -1.204 18229 7112 1 11 . 1 1 97 97 MET CA C 97 59.753 59.753 58.707 1.046 18229 7113 1 11 . 1 1 97 97 MET CB C 97 32.515 32.515 31.291 1.224 18229 7114 1 11 . 1 1 97 97 MET H H 97 7.336 7.336 7.720 -0.384 18229 7115 1 11 . 1 1 98 98 ASP N N 98 118.159 118.159 118.289 -0.130 18229 7116 1 11 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.341 -0.026 18229 7117 1 11 . 1 1 98 98 ASP C C 98 178.771 178.771 177.781 0.990 18229 7118 1 11 . 1 1 98 98 ASP CA C 98 57.604 57.604 56.949 0.655 18229 7119 1 11 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.336 -0.671 18229 7120 1 11 . 1 1 98 98 ASP H H 98 8.712 8.712 8.020 0.692 18229 7121 1 11 . 1 1 99 99 ASN N N 99 120.354 120.354 116.852 3.502 18229 7122 1 11 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.607 -0.127 18229 7123 1 11 . 1 1 99 99 ASN C C 99 178.232 178.232 177.208 1.024 18229 7124 1 11 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.230 1.070 18229 7125 1 11 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.972 -0.524 18229 7126 1 11 . 1 1 99 99 ASN H H 99 8.084 8.084 7.920 0.164 18229 7127 1 11 . 1 1 100 100 ILE N N 100 120.990 120.990 121.495 -0.505 18229 7128 1 11 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.918 -0.281 18229 7129 1 11 . 1 1 100 100 ILE C C 100 177.463 177.463 177.991 -0.528 18229 7130 1 11 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.937 -1.164 18229 7131 1 11 . 1 1 100 100 ILE CB C 100 35.467 35.467 36.944 -1.477 18229 7132 1 11 . 1 1 100 100 ILE H H 100 8.017 8.017 8.668 -0.651 18229 7133 1 11 . 1 1 101 101 LYS N N 101 120.814 120.814 120.256 0.558 18229 7134 1 11 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.855 -0.220 18229 7135 1 11 . 1 1 101 101 LYS C C 101 177.365 177.365 179.293 -1.928 18229 7136 1 11 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.879 0.757 18229 7137 1 11 . 1 1 101 101 LYS CB C 101 32.991 32.991 31.997 0.994 18229 7138 1 11 . 1 1 101 101 LYS H H 101 8.944 8.944 8.054 0.890 18229 7139 1 11 . 1 1 102 102 MET N N 102 116.514 116.514 115.665 0.849 18229 7140 1 11 . 1 1 102 102 MET HA H 102 4.209 4.209 4.380 -0.171 18229 7141 1 11 . 1 1 102 102 MET C C 102 178.925 178.925 178.193 0.732 18229 7142 1 11 . 1 1 102 102 MET CA C 102 58.720 58.720 58.788 -0.068 18229 7143 1 11 . 1 1 102 102 MET CB C 102 32.299 32.299 32.666 -0.367 18229 7144 1 11 . 1 1 102 102 MET H H 102 8.123 8.123 7.570 0.553 18229 7145 1 11 . 1 1 103 103 THR N N 103 118.583 118.583 117.968 0.615 18229 7146 1 11 . 1 1 103 103 THR HA H 103 3.882 3.882 4.139 -0.257 18229 7147 1 11 . 1 1 103 103 THR C C 103 176.474 176.474 176.514 -0.040 18229 7148 1 11 . 1 1 103 103 THR CA C 103 66.489 66.489 66.696 -0.207 18229 7149 1 11 . 1 1 103 103 THR CB C 103 67.864 67.864 69.051 -1.187 18229 7150 1 11 . 1 1 103 103 THR H H 103 7.768 7.768 7.406 0.362 18229 7151 1 11 . 1 1 104 104 LEU N N 104 119.575 119.575 121.227 -1.652 18229 7152 1 11 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.906 -0.024 18229 7153 1 11 . 1 1 104 104 LEU C C 104 177.935 177.935 179.048 -1.113 18229 7154 1 11 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.820 -0.844 18229 7155 1 11 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.263 1.059 18229 7156 1 11 . 1 1 104 104 LEU H H 104 8.537 8.537 8.772 -0.235 18229 7157 1 11 . 1 1 105 105 GLN N N 105 119.463 119.463 117.691 1.772 18229 7158 1 11 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.805 -0.096 18229 7159 1 11 . 1 1 105 105 GLN C C 105 178.507 178.507 178.529 -0.022 18229 7160 1 11 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.285 0.455 18229 7161 1 11 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.268 0.371 18229 7162 1 11 . 1 1 105 105 GLN H H 105 8.736 8.736 7.767 0.969 18229 7163 1 11 . 1 1 106 106 GLN N N 106 118.984 118.984 117.619 1.365 18229 7164 1 11 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.987 -0.011 18229 7165 1 11 . 1 1 106 106 GLN C C 106 178.454 178.454 178.643 -0.189 18229 7166 1 11 . 1 1 106 106 GLN CA C 106 59.018 59.018 59.037 -0.019 18229 7167 1 11 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.729 -0.277 18229 7168 1 11 . 1 1 106 106 GLN H H 106 7.689 7.689 7.730 -0.041 18229 7169 1 11 . 1 1 107 107 ILE N N 107 119.928 119.928 119.037 0.891 18229 7170 1 11 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.868 -0.405 18229 7171 1 11 . 1 1 107 107 ILE C C 107 177.492 177.492 178.098 -0.606 18229 7172 1 11 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.067 1.375 18229 7173 1 11 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.386 1.109 18229 7174 1 11 . 1 1 107 107 ILE H H 107 7.910 7.910 7.406 0.504 18229 7175 1 11 . 1 1 108 108 ILE N N 108 117.958 117.958 121.871 -3.913 18229 7176 1 11 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.470 2.289 18229 7177 1 11 . 1 1 108 108 ILE C C 108 178.625 178.625 177.778 0.847 18229 7178 1 11 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.639 0.939 18229 7179 1 11 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.605 1.647 18229 7180 1 11 . 1 1 108 108 ILE H H 108 8.767 8.767 8.544 0.223 18229 7181 1 11 . 1 1 109 109 SER N N 109 113.450 113.450 114.955 -1.505 18229 7182 1 11 . 1 1 109 109 SER HA H 109 4.271 4.271 3.957 0.314 18229 7183 1 11 . 1 1 109 109 SER C C 109 175.966 175.966 176.103 -0.137 18229 7184 1 11 . 1 1 109 109 SER CA C 109 62.205 62.205 61.402 0.803 18229 7185 1 11 . 1 1 109 109 SER CB C 109 63.094 63.094 62.235 0.859 18229 7186 1 11 . 1 1 109 109 SER H H 109 7.797 7.797 8.495 -0.698 18229 7187 1 11 . 1 1 110 110 ARG N N 110 120.739 120.739 122.232 -1.493 18229 7188 1 11 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.178 -0.059 18229 7189 1 11 . 1 1 110 110 ARG C C 110 179.056 179.056 178.613 0.443 18229 7190 1 11 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.200 0.620 18229 7191 1 11 . 1 1 110 110 ARG CB C 110 29.799 29.799 29.723 0.076 18229 7192 1 11 . 1 1 110 110 ARG H H 110 7.450 7.450 7.991 -0.541 18229 7193 1 11 . 1 1 111 111 TYR N N 111 117.972 117.972 120.047 -2.075 18229 7194 1 11 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.334 0.372 18229 7195 1 11 . 1 1 111 111 TYR C C 111 177.853 177.853 178.072 -0.219 18229 7196 1 11 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.424 0.189 18229 7197 1 11 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.518 -0.210 18229 7198 1 11 . 1 1 111 111 TYR H H 111 7.558 7.558 8.431 -0.873 18229 7199 1 11 . 1 1 112 112 LYS N N 112 120.615 120.615 118.014 2.601 18229 7200 1 11 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.167 0.214 18229 7201 1 11 . 1 1 112 112 LYS C C 112 177.893 177.893 178.051 -0.158 18229 7202 1 11 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.787 -0.198 18229 7203 1 11 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.045 0.558 18229 7204 1 11 . 1 1 112 112 LYS H H 112 8.080 8.080 7.553 0.527 18229 7205 1 11 . 1 1 113 113 ASP N N 113 120.325 120.325 119.799 0.526 18229 7206 1 11 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.455 0.189 18229 7207 1 11 . 1 1 113 113 ASP C C 113 176.950 176.950 177.042 -0.092 18229 7208 1 11 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.240 -0.978 18229 7209 1 11 . 1 1 113 113 ASP CB C 113 40.891 40.891 41.044 -0.153 18229 7210 1 11 . 1 1 113 113 ASP H H 113 8.191 8.191 8.368 -0.177 18229 7211 1 11 . 1 1 114 114 ALA N N 114 122.906 122.906 121.110 1.796 18229 7212 1 11 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.341 0.007 18229 7213 1 11 . 1 1 114 114 ALA C C 114 178.055 178.055 178.080 -0.025 18229 7214 1 11 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.126 1.048 18229 7215 1 11 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.643 -0.543 18229 7216 1 11 . 1 1 114 114 ALA H H 114 7.900 7.900 7.718 0.182 18229 7217 1 12 . 1 1 2 2 SER N N 2 113.055 113.055 114.842 -1.787 18229 7218 1 12 . 1 1 2 2 SER HA H 2 4.418 4.418 4.489 -0.071 18229 7219 1 12 . 1 1 2 2 SER C C 2 174.994 174.994 174.557 0.437 18229 7220 1 12 . 1 1 2 2 SER CA C 2 58.540 58.540 59.183 -0.643 18229 7221 1 12 . 1 1 2 2 SER CB C 2 63.748 63.748 63.777 -0.029 18229 7222 1 12 . 1 1 2 2 SER H H 2 8.061 8.061 8.394 -0.333 18229 7223 1 12 . 1 1 3 3 HIS N N 3 119.062 119.062 117.673 1.389 18229 7224 1 12 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.575 0.160 18229 7225 1 12 . 1 1 3 3 HIS C C 3 173.417 173.417 173.889 -0.472 18229 7226 1 12 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.788 -0.484 18229 7227 1 12 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.719 -0.172 18229 7228 1 12 . 1 1 3 3 HIS H H 3 8.410 8.410 8.269 0.141 18229 7229 1 12 . 1 1 4 4 SER N N 4 113.520 113.520 112.882 0.638 18229 7230 1 12 . 1 1 4 4 SER HA H 4 5.516 5.516 5.141 0.375 18229 7231 1 12 . 1 1 4 4 SER C C 4 173.602 173.602 173.318 0.284 18229 7232 1 12 . 1 1 4 4 SER CA C 4 57.005 57.005 57.460 -0.455 18229 7233 1 12 . 1 1 4 4 SER CB C 4 65.989 65.989 67.368 -1.379 18229 7234 1 12 . 1 1 4 4 SER H H 4 7.817 7.817 7.645 0.172 18229 7235 1 12 . 1 1 5 5 GLY N N 5 106.959 106.959 105.722 1.237 18229 7236 1 12 . 1 1 5 5 GLY C C 5 171.058 171.058 172.058 -1.000 18229 7237 1 12 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.731 -0.260 18229 7238 1 12 . 1 1 5 5 GLY H H 5 8.356 8.356 8.617 -0.261 18229 7239 1 12 . 1 1 6 6 ALA N N 6 125.264 125.264 124.343 0.921 18229 7240 1 12 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.570 0.391 18229 7241 1 12 . 1 1 6 6 ALA C C 6 176.831 176.831 175.681 1.150 18229 7242 1 12 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.795 0.950 18229 7243 1 12 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.173 -0.793 18229 7244 1 12 . 1 1 6 6 ALA H H 6 8.641 8.641 8.578 0.063 18229 7245 1 12 . 1 1 7 7 ALA N N 7 119.937 119.937 121.964 -2.027 18229 7246 1 12 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.419 0.236 18229 7247 1 12 . 1 1 7 7 ALA C C 7 176.683 176.683 175.363 1.320 18229 7248 1 12 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.666 1.079 18229 7249 1 12 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.850 2.187 18229 7250 1 12 . 1 1 7 7 ALA H H 7 8.370 8.370 8.083 0.287 18229 7251 1 12 . 1 1 8 8 ILE N N 8 125.430 125.430 119.673 5.757 18229 7252 1 12 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.222 -0.227 18229 7253 1 12 . 1 1 8 8 ILE C C 8 175.310 175.310 174.903 0.407 18229 7254 1 12 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.281 1.671 18229 7255 1 12 . 1 1 8 8 ILE CB C 8 39.687 39.687 37.977 1.710 18229 7256 1 12 . 1 1 8 8 ILE H H 8 9.349 9.349 8.355 0.994 18229 7257 1 12 . 1 1 9 9 PHE N N 9 128.906 128.906 128.480 0.426 18229 7258 1 12 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.358 -0.066 18229 7259 1 12 . 1 1 9 9 PHE C C 9 173.925 173.925 173.816 0.109 18229 7260 1 12 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.111 1.161 18229 7261 1 12 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.855 -0.288 18229 7262 1 12 . 1 1 9 9 PHE H H 9 8.450 8.450 8.380 0.070 18229 7263 1 12 . 1 1 10 10 GLU N N 10 126.509 126.509 126.418 0.091 18229 7264 1 12 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.742 -0.538 18229 7265 1 12 . 1 1 10 10 GLU C C 10 175.157 175.157 175.679 -0.522 18229 7266 1 12 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.084 -0.305 18229 7267 1 12 . 1 1 10 10 GLU CB C 10 26.449 26.449 28.436 -1.987 18229 7268 1 12 . 1 1 10 10 GLU H H 10 8.749 8.749 8.610 0.139 18229 7269 1 12 . 1 1 11 11 LYS N N 11 105.729 105.729 112.695 -6.966 18229 7270 1 12 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.943 -0.540 18229 7271 1 12 . 1 1 11 11 LYS C C 11 175.543 175.543 175.510 0.033 18229 7272 1 12 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.756 0.798 18229 7273 1 12 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.440 -1.263 18229 7274 1 12 . 1 1 11 11 LYS H H 11 7.931 7.931 8.495 -0.564 18229 7275 1 12 . 1 1 12 12 VAL N N 12 123.753 123.753 120.655 3.098 18229 7276 1 12 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.290 0.127 18229 7277 1 12 . 1 1 12 12 VAL C C 12 175.120 175.120 175.289 -0.169 18229 7278 1 12 . 1 1 12 12 VAL CA C 12 61.772 61.772 60.983 0.789 18229 7279 1 12 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.638 -0.357 18229 7280 1 12 . 1 1 12 12 VAL H H 12 7.901 7.901 7.273 0.628 18229 7281 1 12 . 1 1 13 13 SER N N 13 121.941 121.941 119.786 2.155 18229 7282 1 12 . 1 1 13 13 SER HA H 13 4.627 4.627 5.008 -0.381 18229 7283 1 12 . 1 1 13 13 SER C C 13 175.339 175.339 174.049 1.290 18229 7284 1 12 . 1 1 13 13 SER CA C 13 59.813 59.813 58.143 1.670 18229 7285 1 12 . 1 1 13 13 SER CB C 13 63.763 63.763 64.073 -0.310 18229 7286 1 12 . 1 1 13 13 SER H H 13 8.876 8.876 8.706 0.170 18229 7287 1 12 . 1 1 14 14 GLY N N 14 113.199 113.199 113.162 0.037 18229 7288 1 12 . 1 1 14 14 GLY C C 14 172.742 172.742 172.216 0.526 18229 7289 1 12 . 1 1 14 14 GLY CA C 14 46.520 46.520 43.863 2.657 18229 7290 1 12 . 1 1 14 14 GLY H H 14 8.277 8.277 9.352 -1.075 18229 7291 1 12 . 1 1 15 15 ILE N N 15 123.240 123.240 119.485 3.755 18229 7292 1 12 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.484 0.326 18229 7293 1 12 . 1 1 15 15 ILE C C 15 175.370 175.370 173.930 1.440 18229 7294 1 12 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.675 0.645 18229 7295 1 12 . 1 1 15 15 ILE CB C 15 41.606 41.606 40.016 1.590 18229 7296 1 12 . 1 1 15 15 ILE H H 15 8.298 8.298 8.630 -0.332 18229 7297 1 12 . 1 1 16 16 ILE N N 16 127.865 127.865 128.326 -0.461 18229 7298 1 12 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.577 0.423 18229 7299 1 12 . 1 1 16 16 ILE C C 16 173.119 173.119 174.107 -0.988 18229 7300 1 12 . 1 1 16 16 ILE CA C 16 59.755 59.755 60.005 -0.251 18229 7301 1 12 . 1 1 16 16 ILE CB C 16 41.868 41.868 39.594 2.274 18229 7302 1 12 . 1 1 16 16 ILE H H 16 9.428 9.428 9.000 0.428 18229 7303 1 12 . 1 1 17 17 ALA N N 17 127.742 127.742 131.843 -4.101 18229 7304 1 12 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.946 0.128 18229 7305 1 12 . 1 1 17 17 ALA C C 17 176.203 176.203 176.308 -0.105 18229 7306 1 12 . 1 1 17 17 ALA CA C 17 51.391 51.391 50.182 1.209 18229 7307 1 12 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.088 1.102 18229 7308 1 12 . 1 1 17 17 ALA H H 17 8.966 8.966 8.772 0.194 18229 7309 1 12 . 1 1 18 18 ILE N N 18 122.269 122.269 124.121 -1.852 18229 7310 1 12 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.212 0.409 18229 7311 1 12 . 1 1 18 18 ILE C C 18 174.306 174.306 175.802 -1.496 18229 7312 1 12 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.425 -0.925 18229 7313 1 12 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.339 -0.192 18229 7314 1 12 . 1 1 18 18 ILE H H 18 8.672 8.672 8.198 0.474 18229 7315 1 12 . 1 1 19 19 ASN N N 19 127.575 127.575 124.799 2.776 18229 7316 1 12 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.793 0.269 18229 7317 1 12 . 1 1 19 19 ASN C C 19 174.730 174.730 174.576 0.154 18229 7318 1 12 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.303 -0.575 18229 7319 1 12 . 1 1 19 19 ASN CB C 19 39.496 39.496 40.032 -0.536 18229 7320 1 12 . 1 1 19 19 ASN H H 19 9.350 9.350 8.993 0.357 18229 7321 1 12 . 1 1 20 20 GLU N N 20 121.547 121.547 123.475 -1.928 18229 7322 1 12 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.144 0.533 18229 7323 1 12 . 1 1 20 20 GLU C C 20 176.091 176.091 175.915 0.176 18229 7324 1 12 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.348 -1.546 18229 7325 1 12 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.990 0.682 18229 7326 1 12 . 1 1 20 20 GLU H H 20 9.037 9.037 8.102 0.934 18229 7327 1 12 . 1 1 21 21 ASP N N 21 121.086 121.086 116.536 4.550 18229 7328 1 12 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.679 -0.050 18229 7329 1 12 . 1 1 21 21 ASP C C 21 175.651 175.651 176.191 -0.540 18229 7330 1 12 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.860 0.639 18229 7331 1 12 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.809 -0.259 18229 7332 1 12 . 1 1 21 21 ASP H H 21 8.706 8.706 8.272 0.434 18229 7333 1 12 . 1 1 22 22 VAL N N 22 113.108 113.108 116.930 -3.822 18229 7334 1 12 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.284 0.032 18229 7335 1 12 . 1 1 22 22 VAL C C 22 173.407 173.407 175.047 -1.640 18229 7336 1 12 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.244 -1.091 18229 7337 1 12 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.503 0.526 18229 7338 1 12 . 1 1 22 22 VAL H H 22 6.819 6.819 7.349 -0.530 18229 7339 1 12 . 1 1 23 23 SER N N 23 115.009 115.009 113.670 1.339 18229 7340 1 12 . 1 1 23 23 SER HA H 23 4.735 4.735 4.551 0.184 18229 7341 1 12 . 1 1 23 23 SER CA C 23 53.848 53.848 57.363 -3.515 18229 7342 1 12 . 1 1 23 23 SER CB C 23 64.810 64.810 63.123 1.687 18229 7343 1 12 . 1 1 23 23 SER H H 23 8.032 8.032 8.115 -0.083 18229 7344 1 12 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.333 0.451 18229 7345 1 12 . 1 1 24 24 PRO C C 24 174.825 174.825 176.158 -1.333 18229 7346 1 12 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.455 0.394 18229 7347 1 12 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.350 2.451 18229 7348 1 12 . 1 1 25 25 ALA N N 25 120.477 120.477 122.084 -1.607 18229 7349 1 12 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.279 0.236 18229 7350 1 12 . 1 1 25 25 ALA C C 25 175.878 175.878 176.583 -0.705 18229 7351 1 12 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.277 0.331 18229 7352 1 12 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.234 0.220 18229 7353 1 12 . 1 1 25 25 ALA H H 25 8.013 8.013 8.171 -0.158 18229 7354 1 12 . 1 1 26 26 GLU N N 26 115.417 115.417 115.056 0.361 18229 7355 1 12 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.124 -0.053 18229 7356 1 12 . 1 1 26 26 GLU C C 26 174.599 174.599 174.443 0.156 18229 7357 1 12 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.631 -1.644 18229 7358 1 12 . 1 1 26 26 GLU CB C 26 34.265 34.265 34.813 -0.548 18229 7359 1 12 . 1 1 26 26 GLU H H 26 7.821 7.821 7.959 -0.138 18229 7360 1 12 . 1 1 27 27 LEU N N 27 124.622 124.622 123.821 0.801 18229 7361 1 12 . 1 1 27 27 LEU HA H 27 5.038 5.038 4.789 0.249 18229 7362 1 12 . 1 1 27 27 LEU C C 27 174.704 174.704 174.719 -0.015 18229 7363 1 12 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.584 0.173 18229 7364 1 12 . 1 1 27 27 LEU CB C 27 45.646 45.646 45.461 0.185 18229 7365 1 12 . 1 1 27 27 LEU H H 27 8.863 8.863 9.199 -0.336 18229 7366 1 12 . 1 1 28 28 THR N N 28 121.755 121.755 120.333 1.422 18229 7367 1 12 . 1 1 28 28 THR HA H 28 5.152 5.152 4.930 0.222 18229 7368 1 12 . 1 1 28 28 THR C C 28 172.573 172.573 173.099 -0.526 18229 7369 1 12 . 1 1 28 28 THR CA C 28 61.452 61.452 61.978 -0.526 18229 7370 1 12 . 1 1 28 28 THR CB C 28 71.480 71.480 69.921 1.559 18229 7371 1 12 . 1 1 28 28 THR H H 28 9.276 9.276 8.050 1.226 18229 7372 1 12 . 1 1 29 29 TRP N N 29 128.764 128.764 130.864 -2.100 18229 7373 1 12 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.156 0.292 18229 7374 1 12 . 1 1 29 29 TRP C C 29 173.881 173.881 174.321 -0.440 18229 7375 1 12 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.278 -0.488 18229 7376 1 12 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.093 1.237 18229 7377 1 12 . 1 1 29 29 TRP H H 29 9.383 9.383 9.613 -0.230 18229 7378 1 12 . 1 1 30 30 ARG N N 30 126.417 126.417 129.350 -2.933 18229 7379 1 12 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.566 0.241 18229 7380 1 12 . 1 1 30 30 ARG C C 30 174.712 174.712 175.227 -0.515 18229 7381 1 12 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.876 -0.408 18229 7382 1 12 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.566 0.252 18229 7383 1 12 . 1 1 30 30 ARG H H 30 7.579 7.579 9.118 -1.539 18229 7384 1 12 . 1 1 31 31 SER N N 31 118.415 118.415 122.039 -3.624 18229 7385 1 12 . 1 1 31 31 SER HA H 31 4.480 4.480 3.679 0.801 18229 7386 1 12 . 1 1 31 31 SER C C 31 176.360 176.360 175.251 1.109 18229 7387 1 12 . 1 1 31 31 SER CA C 31 58.070 58.070 60.158 -2.088 18229 7388 1 12 . 1 1 31 31 SER CB C 31 64.272 64.272 63.386 0.886 18229 7389 1 12 . 1 1 31 31 SER H H 31 8.078 8.078 8.813 -0.735 18229 7390 1 12 . 1 1 32 32 THR N N 32 119.175 119.175 118.646 0.529 18229 7391 1 12 . 1 1 32 32 THR HA H 32 3.847 3.847 4.084 -0.237 18229 7392 1 12 . 1 1 32 32 THR C C 32 175.602 175.602 175.402 0.200 18229 7393 1 12 . 1 1 32 32 THR CA C 32 66.265 66.265 65.472 0.793 18229 7394 1 12 . 1 1 32 32 THR CB C 32 68.557 68.557 68.839 -0.282 18229 7395 1 12 . 1 1 32 32 THR H H 32 8.520 8.520 8.516 0.004 18229 7396 1 12 . 1 1 33 33 ASP N N 33 117.286 117.286 119.684 -2.398 18229 7397 1 12 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.641 -0.024 18229 7398 1 12 . 1 1 33 33 ASP C C 33 177.056 177.056 176.685 0.371 18229 7399 1 12 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.887 -0.662 18229 7400 1 12 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.300 -0.422 18229 7401 1 12 . 1 1 33 33 ASP H H 33 8.223 8.223 8.333 -0.110 18229 7402 1 12 . 1 1 34 34 GLY N N 34 109.197 109.197 106.617 2.580 18229 7403 1 12 . 1 1 34 34 GLY C C 34 173.762 173.762 174.339 -0.577 18229 7404 1 12 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.447 -0.048 18229 7405 1 12 . 1 1 34 34 GLY H H 34 7.914 7.914 8.202 -0.288 18229 7406 1 12 . 1 1 35 35 ASP N N 35 118.081 118.081 119.162 -1.081 18229 7407 1 12 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.647 -0.128 18229 7408 1 12 . 1 1 35 35 ASP C C 35 175.366 175.366 176.610 -1.244 18229 7409 1 12 . 1 1 35 35 ASP CA C 35 54.860 54.860 54.691 0.169 18229 7410 1 12 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.163 -0.189 18229 7411 1 12 . 1 1 35 35 ASP H H 35 8.238 8.238 8.499 -0.261 18229 7412 1 12 . 1 1 36 36 LYS N N 36 120.362 120.362 116.204 4.158 18229 7413 1 12 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.419 0.415 18229 7414 1 12 . 1 1 36 36 LYS C C 36 174.568 174.568 173.703 0.865 18229 7415 1 12 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.662 -0.126 18229 7416 1 12 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.934 0.845 18229 7417 1 12 . 1 1 36 36 LYS H H 36 7.749 7.749 7.729 0.020 18229 7418 1 12 . 1 1 37 37 VAL N N 37 121.758 121.758 119.600 2.158 18229 7419 1 12 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.189 0.082 18229 7420 1 12 . 1 1 37 37 VAL C C 37 175.209 175.209 173.931 1.278 18229 7421 1 12 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.395 -0.132 18229 7422 1 12 . 1 1 37 37 VAL CB C 37 35.983 35.983 34.908 1.075 18229 7423 1 12 . 1 1 37 37 VAL H H 37 8.526 8.526 8.341 0.185 18229 7424 1 12 . 1 1 38 38 HIS N N 38 126.087 126.087 127.134 -1.047 18229 7425 1 12 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.948 0.073 18229 7426 1 12 . 1 1 38 38 HIS C C 38 173.116 173.116 174.328 -1.212 18229 7427 1 12 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.900 0.908 18229 7428 1 12 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.403 0.580 18229 7429 1 12 . 1 1 38 38 HIS H H 38 9.633 9.633 9.608 0.025 18229 7430 1 12 . 1 1 39 39 THR N N 39 124.455 124.455 120.190 4.265 18229 7431 1 12 . 1 1 39 39 THR HA H 39 5.155 5.155 5.191 -0.036 18229 7432 1 12 . 1 1 39 39 THR C C 39 173.102 173.102 173.665 -0.563 18229 7433 1 12 . 1 1 39 39 THR CA C 39 61.637 61.637 61.246 0.391 18229 7434 1 12 . 1 1 39 39 THR CB C 39 70.716 70.716 69.784 0.932 18229 7435 1 12 . 1 1 39 39 THR H H 39 8.415 8.415 8.603 -0.188 18229 7436 1 12 . 1 1 40 40 VAL N N 40 126.066 126.066 123.655 2.411 18229 7437 1 12 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.126 -0.173 18229 7438 1 12 . 1 1 40 40 VAL C C 40 174.693 174.693 173.838 0.855 18229 7439 1 12 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.585 -0.237 18229 7440 1 12 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.843 -1.569 18229 7441 1 12 . 1 1 40 40 VAL H H 40 9.387 9.387 9.162 0.226 18229 7442 1 12 . 1 1 41 41 VAL N N 41 129.775 129.775 128.508 1.267 18229 7443 1 12 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.383 -0.395 18229 7444 1 12 . 1 1 41 41 VAL C C 41 179.424 179.424 176.897 2.527 18229 7445 1 12 . 1 1 41 41 VAL CA C 41 63.744 63.744 59.787 3.957 18229 7446 1 12 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.266 0.685 18229 7447 1 12 . 1 1 41 41 VAL H H 41 9.021 9.021 8.880 0.141 18229 7448 1 12 . 1 1 42 42 LEU N N 42 129.645 129.645 127.616 2.029 18229 7449 1 12 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.081 -0.108 18229 7450 1 12 . 1 1 42 42 LEU C C 42 176.259 176.259 178.071 -1.812 18229 7451 1 12 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.432 1.211 18229 7452 1 12 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.464 -0.636 18229 7453 1 12 . 1 1 42 42 LEU H H 42 9.147 9.147 8.465 0.682 18229 7454 1 12 . 1 1 43 43 SER N N 43 110.158 110.158 111.346 -1.188 18229 7455 1 12 . 1 1 43 43 SER HA H 43 4.310 4.310 4.324 -0.014 18229 7456 1 12 . 1 1 43 43 SER C C 43 175.263 175.263 176.303 -1.040 18229 7457 1 12 . 1 1 43 43 SER CA C 43 59.620 59.620 60.953 -1.333 18229 7458 1 12 . 1 1 43 43 SER CB C 43 61.543 61.543 63.596 -2.053 18229 7459 1 12 . 1 1 43 43 SER H H 43 7.006 7.006 8.430 -1.424 18229 7460 1 12 . 1 1 44 44 THR N N 44 110.206 110.206 115.076 -4.870 18229 7461 1 12 . 1 1 44 44 THR HA H 44 4.504 4.504 4.177 0.327 18229 7462 1 12 . 1 1 44 44 THR C C 44 173.489 173.489 175.519 -2.030 18229 7463 1 12 . 1 1 44 44 THR CA C 44 62.024 62.024 64.301 -2.277 18229 7464 1 12 . 1 1 44 44 THR CB C 44 69.805 69.805 68.958 0.847 18229 7465 1 12 . 1 1 44 44 THR H H 44 7.571 7.571 7.766 -0.195 18229 7466 1 12 . 1 1 45 45 ILE N N 45 120.322 120.322 123.140 -2.818 18229 7467 1 12 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.243 0.024 18229 7468 1 12 . 1 1 45 45 ILE C C 45 174.103 174.103 176.298 -2.195 18229 7469 1 12 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.418 -3.448 18229 7470 1 12 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.114 0.446 18229 7471 1 12 . 1 1 45 45 ILE H H 45 6.975 6.975 8.037 -1.062 18229 7472 1 12 . 1 1 46 46 ASP N N 46 126.492 126.492 128.326 -1.834 18229 7473 1 12 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.382 0.329 18229 7474 1 12 . 1 1 46 46 ASP C C 46 175.431 175.431 175.460 -0.029 18229 7475 1 12 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.764 -1.931 18229 7476 1 12 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.926 2.608 18229 7477 1 12 . 1 1 46 46 ASP H H 46 9.262 9.262 8.867 0.395 18229 7478 1 12 . 1 1 47 47 LYS N N 47 112.726 112.726 112.361 0.365 18229 7479 1 12 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.436 0.271 18229 7480 1 12 . 1 1 47 47 LYS C C 47 172.673 172.673 173.789 -1.116 18229 7481 1 12 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.177 -0.356 18229 7482 1 12 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.316 2.293 18229 7483 1 12 . 1 1 47 47 LYS H H 47 7.572 7.572 7.364 0.208 18229 7484 1 12 . 1 1 48 48 LEU N N 48 124.840 124.840 122.307 2.533 18229 7485 1 12 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.914 0.137 18229 7486 1 12 . 1 1 48 48 LEU C C 48 173.965 173.965 175.636 -1.671 18229 7487 1 12 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.239 -1.219 18229 7488 1 12 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.441 2.123 18229 7489 1 12 . 1 1 48 48 LEU H H 48 9.013 9.013 8.502 0.511 18229 7490 1 12 . 1 1 49 49 GLN N N 49 121.648 121.648 126.803 -5.155 18229 7491 1 12 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.708 0.810 18229 7492 1 12 . 1 1 49 49 GLN C C 49 174.700 174.700 173.947 0.753 18229 7493 1 12 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.779 -1.180 18229 7494 1 12 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.699 1.327 18229 7495 1 12 . 1 1 49 49 GLN H H 49 9.260 9.260 9.322 -0.062 18229 7496 1 12 . 1 1 50 50 ALA N N 50 122.020 122.020 125.866 -3.846 18229 7497 1 12 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.029 0.718 18229 7498 1 12 . 1 1 50 50 ALA C C 50 177.167 177.167 176.790 0.377 18229 7499 1 12 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.154 -0.562 18229 7500 1 12 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.060 2.303 18229 7501 1 12 . 1 1 50 50 ALA H H 50 9.286 9.286 8.445 0.841 18229 7502 1 12 . 1 1 51 51 THR N N 51 114.222 114.222 115.539 -1.317 18229 7503 1 12 . 1 1 51 51 THR HA H 51 4.735 4.735 4.381 0.354 18229 7504 1 12 . 1 1 51 51 THR CA C 51 59.228 59.228 61.767 -2.539 18229 7505 1 12 . 1 1 51 51 THR CB C 51 67.954 67.954 68.367 -0.413 18229 7506 1 12 . 1 1 51 51 THR H H 51 8.340 8.340 8.913 -0.573 18229 7507 1 12 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.587 -0.017 18229 7508 1 12 . 1 1 52 52 PRO C C 52 178.621 178.621 177.414 1.207 18229 7509 1 12 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.449 -0.021 18229 7510 1 12 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.623 0.096 18229 7511 1 12 . 1 1 53 53 ALA N N 53 126.566 126.566 123.174 3.392 18229 7512 1 12 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.110 -0.055 18229 7513 1 12 . 1 1 53 53 ALA C C 53 177.578 177.578 179.025 -1.447 18229 7514 1 12 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.536 0.284 18229 7515 1 12 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.462 -0.605 18229 7516 1 12 . 1 1 53 53 ALA H H 53 9.109 9.109 8.450 0.659 18229 7517 1 12 . 1 1 54 54 SER N N 54 107.184 107.184 111.479 -4.295 18229 7518 1 12 . 1 1 54 54 SER HA H 54 4.235 4.235 4.352 -0.117 18229 7519 1 12 . 1 1 54 54 SER C C 54 174.838 174.838 174.383 0.455 18229 7520 1 12 . 1 1 54 54 SER CA C 54 58.116 58.116 59.551 -1.435 18229 7521 1 12 . 1 1 54 54 SER CB C 54 63.021 63.021 63.147 -0.126 18229 7522 1 12 . 1 1 54 54 SER H H 54 7.595 7.595 8.107 -0.512 18229 7523 1 12 . 1 1 55 55 SER N N 55 117.098 117.098 117.635 -0.537 18229 7524 1 12 . 1 1 55 55 SER HA H 55 4.484 4.484 4.565 -0.081 18229 7525 1 12 . 1 1 55 55 SER C C 55 174.833 174.833 174.873 -0.040 18229 7526 1 12 . 1 1 55 55 SER CA C 55 57.510 57.510 57.844 -0.334 18229 7527 1 12 . 1 1 55 55 SER CB C 55 64.121 64.121 64.490 -0.369 18229 7528 1 12 . 1 1 55 55 SER H H 55 7.613 7.613 7.567 0.046 18229 7529 1 12 . 1 1 56 56 GLU N N 56 125.258 125.258 125.015 0.243 18229 7530 1 12 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.057 0.072 18229 7531 1 12 . 1 1 56 56 GLU C C 56 177.852 177.852 176.584 1.268 18229 7532 1 12 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.538 -0.926 18229 7533 1 12 . 1 1 56 56 GLU CB C 56 29.424 29.424 30.030 -0.606 18229 7534 1 12 . 1 1 56 56 GLU H H 56 8.849 8.849 8.932 -0.083 18229 7535 1 12 . 1 1 57 57 LYS N N 57 119.058 119.058 120.249 -1.191 18229 7536 1 12 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.316 -0.017 18229 7537 1 12 . 1 1 57 57 LYS C C 57 175.699 175.699 175.808 -0.109 18229 7538 1 12 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.497 0.148 18229 7539 1 12 . 1 1 57 57 LYS CB C 57 33.270 33.270 31.383 1.887 18229 7540 1 12 . 1 1 57 57 LYS H H 57 8.060 8.060 7.969 0.091 18229 7541 1 12 . 1 1 58 58 MET N N 58 123.967 123.967 123.436 0.531 18229 7542 1 12 . 1 1 58 58 MET HA H 58 4.345 4.345 4.636 -0.291 18229 7543 1 12 . 1 1 58 58 MET C C 58 174.213 174.213 175.250 -1.037 18229 7544 1 12 . 1 1 58 58 MET CA C 58 55.170 55.170 54.887 0.283 18229 7545 1 12 . 1 1 58 58 MET CB C 58 35.330 35.330 31.811 3.519 18229 7546 1 12 . 1 1 58 58 MET H H 58 8.828 8.828 8.060 0.768 18229 7547 1 12 . 1 1 59 59 MET N N 59 120.929 120.929 122.227 -1.298 18229 7548 1 12 . 1 1 59 59 MET HA H 59 5.905 5.905 5.385 0.520 18229 7549 1 12 . 1 1 59 59 MET C C 59 174.521 174.521 174.170 0.351 18229 7550 1 12 . 1 1 59 59 MET CA C 59 55.038 55.038 55.413 -0.375 18229 7551 1 12 . 1 1 59 59 MET CB C 59 39.549 39.549 38.080 1.470 18229 7552 1 12 . 1 1 59 59 MET H H 59 8.528 8.528 9.361 -0.833 18229 7553 1 12 . 1 1 60 60 LEU N N 60 117.623 117.623 120.048 -2.425 18229 7554 1 12 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.249 0.416 18229 7555 1 12 . 1 1 60 60 LEU C C 60 175.763 175.763 175.255 0.508 18229 7556 1 12 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.774 -0.589 18229 7557 1 12 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.800 1.761 18229 7558 1 12 . 1 1 60 60 LEU H H 60 9.052 9.052 9.666 -0.614 18229 7559 1 12 . 1 1 61 61 ARG N N 61 120.407 120.407 120.967 -0.560 18229 7560 1 12 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.730 -0.259 18229 7561 1 12 . 1 1 61 61 ARG C C 61 173.286 173.286 173.868 -0.582 18229 7562 1 12 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.992 -0.061 18229 7563 1 12 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.387 -0.052 18229 7564 1 12 . 1 1 61 61 ARG H H 61 9.180 9.180 9.552 -0.372 18229 7565 1 12 . 1 1 62 62 LEU N N 62 126.471 126.471 125.191 1.280 18229 7566 1 12 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.250 -0.052 18229 7567 1 12 . 1 1 62 62 LEU C C 62 175.447 175.447 176.009 -0.562 18229 7568 1 12 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.315 0.093 18229 7569 1 12 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.788 -1.355 18229 7570 1 12 . 1 1 62 62 LEU H H 62 9.203 9.203 9.375 -0.172 18229 7571 1 12 . 1 1 63 63 ILE N N 63 123.282 123.282 123.532 -0.250 18229 7572 1 12 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.221 0.476 18229 7573 1 12 . 1 1 63 63 ILE C C 63 176.525 176.525 176.515 0.010 18229 7574 1 12 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.585 0.091 18229 7575 1 12 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.151 0.554 18229 7576 1 12 . 1 1 63 63 ILE H H 63 8.983 8.983 8.896 0.087 18229 7577 1 12 . 1 1 64 64 GLY N N 64 115.647 115.647 110.357 5.290 18229 7578 1 12 . 1 1 64 64 GLY C C 64 172.300 172.300 172.840 -0.540 18229 7579 1 12 . 1 1 64 64 GLY CA C 64 45.662 45.662 44.053 1.609 18229 7580 1 12 . 1 1 64 64 GLY H H 64 9.372 9.372 8.888 0.484 18229 7581 1 12 . 1 1 65 65 LYS N N 65 119.107 119.107 126.863 -7.756 18229 7582 1 12 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.219 0.087 18229 7583 1 12 . 1 1 65 65 LYS C C 65 177.404 177.404 175.959 1.445 18229 7584 1 12 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.162 -0.661 18229 7585 1 12 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.665 1.753 18229 7586 1 12 . 1 1 65 65 LYS H H 65 8.289 8.289 7.869 0.420 18229 7587 1 12 . 1 1 66 66 VAL N N 66 122.231 122.231 122.872 -0.641 18229 7588 1 12 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.201 -0.122 18229 7589 1 12 . 1 1 66 66 VAL C C 66 175.253 175.253 175.914 -0.661 18229 7590 1 12 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.706 0.430 18229 7591 1 12 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.889 -0.605 18229 7592 1 12 . 1 1 66 66 VAL H H 66 8.607 8.607 8.244 0.363 18229 7593 1 12 . 1 1 67 67 ASP N N 67 125.538 125.538 126.163 -0.625 18229 7594 1 12 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.878 -0.179 18229 7595 1 12 . 1 1 67 67 ASP C C 67 176.601 176.601 176.665 -0.064 18229 7596 1 12 . 1 1 67 67 ASP CA C 67 53.058 53.058 54.210 -1.152 18229 7597 1 12 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.148 0.724 18229 7598 1 12 . 1 1 67 67 ASP H H 67 8.457 8.457 8.673 -0.216 18229 7599 1 12 . 1 1 68 68 GLU N N 68 124.433 124.433 119.484 4.949 18229 7600 1 12 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.089 0.035 18229 7601 1 12 . 1 1 68 68 GLU C C 68 177.344 177.344 177.000 0.344 18229 7602 1 12 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.496 -0.861 18229 7603 1 12 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.194 0.486 18229 7604 1 12 . 1 1 68 68 GLU H H 68 8.712 8.712 8.335 0.377 18229 7605 1 12 . 1 1 69 69 SER N N 69 115.596 115.596 114.366 1.230 18229 7606 1 12 . 1 1 69 69 SER HA H 69 4.328 4.328 4.242 0.086 18229 7607 1 12 . 1 1 69 69 SER C C 69 175.180 175.180 175.282 -0.102 18229 7608 1 12 . 1 1 69 69 SER CA C 69 60.146 60.146 60.244 -0.098 18229 7609 1 12 . 1 1 69 69 SER CB C 69 63.383 63.383 63.039 0.344 18229 7610 1 12 . 1 1 69 69 SER H H 69 8.467 8.467 7.969 0.498 18229 7611 1 12 . 1 1 70 70 LYS N N 70 121.738 121.738 119.458 2.280 18229 7612 1 12 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.218 0.188 18229 7613 1 12 . 1 1 70 70 LYS C C 70 176.165 176.165 176.313 -0.148 18229 7614 1 12 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.739 -1.329 18229 7615 1 12 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.060 -0.560 18229 7616 1 12 . 1 1 70 70 LYS H H 70 7.675 7.675 7.532 0.143 18229 7617 1 12 . 1 1 71 71 LYS N N 71 121.087 121.087 117.571 3.516 18229 7618 1 12 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.072 0.336 18229 7619 1 12 . 1 1 71 71 LYS C C 71 176.134 176.134 175.621 0.513 18229 7620 1 12 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.136 -0.531 18229 7621 1 12 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.566 1.717 18229 7622 1 12 . 1 1 71 71 LYS H H 71 7.739 7.739 8.193 -0.454 18229 7623 1 12 . 1 1 72 72 ARG N N 72 122.147 122.147 121.090 1.057 18229 7624 1 12 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.386 0.198 18229 7625 1 12 . 1 1 72 72 ARG C C 72 175.217 175.217 176.051 -0.834 18229 7626 1 12 . 1 1 72 72 ARG CA C 72 55.041 55.041 55.511 -0.470 18229 7627 1 12 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.485 -0.131 18229 7628 1 12 . 1 1 72 72 ARG H H 72 8.402 8.402 8.425 -0.023 18229 7629 1 12 . 1 1 73 73 LYS N N 73 121.242 121.242 118.935 2.307 18229 7630 1 12 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.703 0.196 18229 7631 1 12 . 1 1 73 73 LYS C C 73 176.966 176.966 175.185 1.781 18229 7632 1 12 . 1 1 73 73 LYS CA C 73 55.365 55.365 54.621 0.744 18229 7633 1 12 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.699 -0.068 18229 7634 1 12 . 1 1 73 73 LYS H H 73 8.386 8.386 8.255 0.131 18229 7635 1 12 . 1 1 74 74 ASP N N 74 122.007 122.007 118.167 3.840 18229 7636 1 12 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.961 -0.310 18229 7637 1 12 . 1 1 74 74 ASP C C 74 177.401 177.401 176.669 0.732 18229 7638 1 12 . 1 1 74 74 ASP CA C 74 52.840 52.840 52.321 0.519 18229 7639 1 12 . 1 1 74 74 ASP CB C 74 41.008 41.008 43.149 -2.141 18229 7640 1 12 . 1 1 74 74 ASP H H 74 8.559 8.559 8.245 0.314 18229 7641 1 12 . 1 1 75 75 ASN N N 75 116.263 116.263 118.910 -2.647 18229 7642 1 12 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.569 -0.034 18229 7643 1 12 . 1 1 75 75 ASN C C 75 175.944 175.944 175.419 0.525 18229 7644 1 12 . 1 1 75 75 ASN CA C 75 54.877 54.877 54.999 -0.122 18229 7645 1 12 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.475 -0.365 18229 7646 1 12 . 1 1 75 75 ASN H H 75 8.414 8.414 8.553 -0.139 18229 7647 1 12 . 1 1 76 76 GLU N N 76 118.940 118.940 117.331 1.609 18229 7648 1 12 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.503 -0.110 18229 7649 1 12 . 1 1 76 76 GLU C C 76 176.512 176.512 176.081 0.431 18229 7650 1 12 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.276 0.890 18229 7651 1 12 . 1 1 76 76 GLU CB C 76 30.010 30.010 28.458 1.552 18229 7652 1 12 . 1 1 76 76 GLU H H 76 8.133 8.133 7.959 0.174 18229 7653 1 12 . 1 1 77 77 GLY N N 77 108.056 108.056 108.732 -0.676 18229 7654 1 12 . 1 1 77 77 GLY C C 77 174.193 174.193 173.995 0.198 18229 7655 1 12 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.810 -0.523 18229 7656 1 12 . 1 1 77 77 GLY H H 77 8.083 8.083 8.026 0.057 18229 7657 1 12 . 1 1 78 78 ASN N N 78 119.896 119.896 116.848 3.048 18229 7658 1 12 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.537 0.205 18229 7659 1 12 . 1 1 78 78 ASN C C 78 175.006 175.006 174.913 0.093 18229 7660 1 12 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.928 -1.101 18229 7661 1 12 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.321 -0.325 18229 7662 1 12 . 1 1 78 78 ASN H H 78 8.537 8.537 8.054 0.483 18229 7663 1 12 . 1 1 79 79 GLU N N 79 121.648 121.648 118.733 2.915 18229 7664 1 12 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.824 -0.353 18229 7665 1 12 . 1 1 79 79 GLU C C 79 176.268 176.268 176.256 0.012 18229 7666 1 12 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.468 1.142 18229 7667 1 12 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.232 -0.925 18229 7668 1 12 . 1 1 79 79 GLU H H 79 8.674 8.674 8.515 0.159 18229 7669 1 12 . 1 1 80 80 VAL N N 80 124.083 124.083 125.373 -1.290 18229 7670 1 12 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.048 0.200 18229 7671 1 12 . 1 1 80 80 VAL C C 80 175.537 175.537 176.062 -0.525 18229 7672 1 12 . 1 1 80 80 VAL CA C 80 61.465 61.465 63.319 -1.854 18229 7673 1 12 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.669 0.884 18229 7674 1 12 . 1 1 80 80 VAL H H 80 8.554 8.554 8.877 -0.323 18229 7675 1 12 . 1 1 81 81 VAL N N 81 126.640 126.640 119.391 7.249 18229 7676 1 12 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.825 0.602 18229 7677 1 12 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.910 -2.305 18229 7678 1 12 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.886 0.990 18229 7679 1 12 . 1 1 81 81 VAL H H 81 8.390 8.390 8.072 0.318 18229 7680 1 12 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.334 0.093 18229 7681 1 12 . 1 1 82 82 PRO C C 82 176.034 176.034 175.871 0.163 18229 7682 1 12 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.381 -0.671 18229 7683 1 12 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.457 -0.105 18229 7684 1 12 . 1 1 83 83 LYS N N 83 121.719 121.719 121.133 0.586 18229 7685 1 12 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.528 0.020 18229 7686 1 12 . 1 1 83 83 LYS CA C 83 53.856 53.856 53.906 -0.050 18229 7687 1 12 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.159 0.171 18229 7688 1 12 . 1 1 83 83 LYS H H 83 8.308 8.308 8.152 0.156 18229 7689 1 12 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.561 -0.265 18229 7690 1 12 . 1 1 84 84 PRO C C 84 176.773 176.773 176.426 0.347 18229 7691 1 12 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.637 -0.081 18229 7692 1 12 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.079 0.539 18229 7693 1 12 . 1 1 85 85 GLN N N 85 121.395 121.395 123.918 -2.523 18229 7694 1 12 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.346 -0.205 18229 7695 1 12 . 1 1 85 85 GLN C C 85 174.940 174.940 175.076 -0.136 18229 7696 1 12 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.966 0.096 18229 7697 1 12 . 1 1 85 85 GLN CB C 85 29.730 29.730 30.172 -0.442 18229 7698 1 12 . 1 1 85 85 GLN H H 85 8.464 8.464 8.459 0.005 18229 7699 1 12 . 1 1 86 86 ARG N N 86 121.035 121.035 119.045 1.990 18229 7700 1 12 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.696 0.431 18229 7701 1 12 . 1 1 86 86 ARG C C 86 175.052 175.052 174.982 0.070 18229 7702 1 12 . 1 1 86 86 ARG CA C 86 54.534 54.534 55.166 -0.631 18229 7703 1 12 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.489 -0.156 18229 7704 1 12 . 1 1 86 86 ARG H H 86 8.248 8.248 8.398 -0.150 18229 7705 1 12 . 1 1 87 87 HIS N N 87 120.780 120.780 122.462 -1.682 18229 7706 1 12 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.495 0.187 18229 7707 1 12 . 1 1 87 87 HIS C C 87 173.558 173.558 173.348 0.210 18229 7708 1 12 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.709 -0.517 18229 7709 1 12 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.545 2.509 18229 7710 1 12 . 1 1 87 87 HIS H H 87 8.659 8.659 8.945 -0.286 18229 7711 1 12 . 1 1 88 88 MET N N 88 126.780 126.780 123.787 2.993 18229 7712 1 12 . 1 1 88 88 MET HA H 88 5.283 5.283 4.716 0.567 18229 7713 1 12 . 1 1 88 88 MET C C 88 173.297 173.297 173.228 0.069 18229 7714 1 12 . 1 1 88 88 MET CA C 88 54.835 54.835 54.311 0.524 18229 7715 1 12 . 1 1 88 88 MET CB C 88 35.794 35.794 34.898 0.896 18229 7716 1 12 . 1 1 88 88 MET H H 88 8.710 8.710 7.989 0.721 18229 7717 1 12 . 1 1 89 89 PHE N N 89 122.543 122.543 123.772 -1.229 18229 7718 1 12 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.339 -0.144 18229 7719 1 12 . 1 1 89 89 PHE C C 89 174.410 174.410 174.874 -0.464 18229 7720 1 12 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.163 1.216 18229 7721 1 12 . 1 1 89 89 PHE CB C 89 44.189 44.189 40.960 3.229 18229 7722 1 12 . 1 1 89 89 PHE H H 89 8.969 8.969 9.554 -0.585 18229 7723 1 12 . 1 1 90 90 SER N N 90 116.192 116.192 119.634 -3.442 18229 7724 1 12 . 1 1 90 90 SER HA H 90 5.696 5.696 4.814 0.882 18229 7725 1 12 . 1 1 90 90 SER C C 90 173.030 173.030 173.991 -0.961 18229 7726 1 12 . 1 1 90 90 SER CA C 90 56.771 56.771 58.450 -1.679 18229 7727 1 12 . 1 1 90 90 SER CB C 90 64.961 64.961 63.309 1.652 18229 7728 1 12 . 1 1 90 90 SER H H 90 8.657 8.657 8.537 0.120 18229 7729 1 12 . 1 1 91 91 PHE N N 91 120.710 120.710 124.968 -4.258 18229 7730 1 12 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.613 0.274 18229 7731 1 12 . 1 1 91 91 PHE C C 91 174.442 174.442 175.566 -1.124 18229 7732 1 12 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.254 -0.829 18229 7733 1 12 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.354 3.038 18229 7734 1 12 . 1 1 91 91 PHE H H 91 9.001 9.001 8.385 0.616 18229 7735 1 12 . 1 1 92 92 ASN N N 92 115.967 115.967 120.205 -4.238 18229 7736 1 12 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.780 0.327 18229 7737 1 12 . 1 1 92 92 ASN C C 92 174.835 174.835 173.898 0.937 18229 7738 1 12 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.209 -0.958 18229 7739 1 12 . 1 1 92 92 ASN CB C 92 39.889 39.889 38.810 1.079 18229 7740 1 12 . 1 1 92 92 ASN H H 92 9.093 9.093 8.823 0.270 18229 7741 1 12 . 1 1 93 93 ASN N N 93 118.401 118.401 117.257 1.144 18229 7742 1 12 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.765 0.157 18229 7743 1 12 . 1 1 93 93 ASN C C 93 174.524 174.524 174.353 0.171 18229 7744 1 12 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.516 -0.503 18229 7745 1 12 . 1 1 93 93 ASN CB C 93 41.761 41.761 39.921 1.840 18229 7746 1 12 . 1 1 93 93 ASN H H 93 7.252 7.252 8.018 -0.766 18229 7747 1 12 . 1 1 94 94 ARG N N 94 129.175 129.175 124.275 4.900 18229 7748 1 12 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.050 -0.185 18229 7749 1 12 . 1 1 94 94 ARG C C 94 176.797 176.797 177.391 -0.594 18229 7750 1 12 . 1 1 94 94 ARG CA C 94 59.483 59.483 58.833 0.650 18229 7751 1 12 . 1 1 94 94 ARG CB C 94 30.129 30.129 29.840 0.289 18229 7752 1 12 . 1 1 94 94 ARG H H 94 9.309 9.309 8.923 0.386 18229 7753 1 12 . 1 1 95 95 THR N N 95 115.594 115.594 113.977 1.617 18229 7754 1 12 . 1 1 95 95 THR HA H 95 4.021 4.021 4.123 -0.102 18229 7755 1 12 . 1 1 95 95 THR C C 95 176.735 176.735 176.300 0.435 18229 7756 1 12 . 1 1 95 95 THR CA C 95 66.430 66.430 66.865 -0.435 18229 7757 1 12 . 1 1 95 95 THR CB C 95 68.357 68.357 68.568 -0.211 18229 7758 1 12 . 1 1 95 95 THR H H 95 7.973 7.973 8.212 -0.239 18229 7759 1 12 . 1 1 96 96 VAL N N 96 121.833 121.833 121.900 -0.067 18229 7760 1 12 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.648 0.135 18229 7761 1 12 . 1 1 96 96 VAL C C 96 177.561 177.561 177.760 -0.199 18229 7762 1 12 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.855 -0.730 18229 7763 1 12 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.635 0.566 18229 7764 1 12 . 1 1 96 96 VAL H H 96 7.565 7.565 7.619 -0.054 18229 7765 1 12 . 1 1 97 97 MET N N 97 117.429 117.429 117.959 -0.530 18229 7766 1 12 . 1 1 97 97 MET HA H 97 4.551 4.551 3.355 1.196 18229 7767 1 12 . 1 1 97 97 MET C C 97 177.257 177.257 177.610 -0.353 18229 7768 1 12 . 1 1 97 97 MET CA C 97 59.753 59.753 58.360 1.393 18229 7769 1 12 . 1 1 97 97 MET CB C 97 32.515 32.515 31.481 1.034 18229 7770 1 12 . 1 1 97 97 MET H H 97 7.336 7.336 8.021 -0.685 18229 7771 1 12 . 1 1 98 98 ASP N N 98 118.159 118.159 120.131 -1.972 18229 7772 1 12 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.297 0.018 18229 7773 1 12 . 1 1 98 98 ASP C C 98 178.771 178.771 178.205 0.566 18229 7774 1 12 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.033 0.570 18229 7775 1 12 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.899 -1.235 18229 7776 1 12 . 1 1 98 98 ASP H H 98 8.712 8.712 8.224 0.488 18229 7777 1 12 . 1 1 99 99 ASN N N 99 120.354 120.354 117.006 3.348 18229 7778 1 12 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.585 -0.105 18229 7779 1 12 . 1 1 99 99 ASN C C 99 178.232 178.232 177.469 0.763 18229 7780 1 12 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.333 0.967 18229 7781 1 12 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.082 -0.634 18229 7782 1 12 . 1 1 99 99 ASN H H 99 8.084 8.084 7.796 0.288 18229 7783 1 12 . 1 1 100 100 ILE N N 100 120.990 120.990 122.232 -1.242 18229 7784 1 12 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.930 -0.293 18229 7785 1 12 . 1 1 100 100 ILE C C 100 177.463 177.463 177.772 -0.309 18229 7786 1 12 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.903 -1.130 18229 7787 1 12 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.653 -2.186 18229 7788 1 12 . 1 1 100 100 ILE H H 100 8.017 8.017 8.540 -0.523 18229 7789 1 12 . 1 1 101 101 LYS N N 101 120.814 120.814 119.547 1.267 18229 7790 1 12 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.847 -0.212 18229 7791 1 12 . 1 1 101 101 LYS C C 101 177.365 177.365 179.083 -1.718 18229 7792 1 12 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.947 0.689 18229 7793 1 12 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.089 0.902 18229 7794 1 12 . 1 1 101 101 LYS H H 101 8.944 8.944 8.313 0.631 18229 7795 1 12 . 1 1 102 102 MET N N 102 116.514 116.514 115.353 1.161 18229 7796 1 12 . 1 1 102 102 MET HA H 102 4.209 4.209 4.311 -0.102 18229 7797 1 12 . 1 1 102 102 MET C C 102 178.925 178.925 177.966 0.959 18229 7798 1 12 . 1 1 102 102 MET CA C 102 58.720 58.720 58.864 -0.144 18229 7799 1 12 . 1 1 102 102 MET CB C 102 32.299 32.299 32.754 -0.455 18229 7800 1 12 . 1 1 102 102 MET H H 102 8.123 8.123 7.583 0.540 18229 7801 1 12 . 1 1 103 103 THR N N 103 118.583 118.583 116.432 2.151 18229 7802 1 12 . 1 1 103 103 THR HA H 103 3.882 3.882 4.251 -0.369 18229 7803 1 12 . 1 1 103 103 THR C C 103 176.474 176.474 176.503 -0.029 18229 7804 1 12 . 1 1 103 103 THR CA C 103 66.489 66.489 65.371 1.118 18229 7805 1 12 . 1 1 103 103 THR CB C 103 67.864 67.864 68.953 -1.089 18229 7806 1 12 . 1 1 103 103 THR H H 103 7.768 7.768 8.048 -0.280 18229 7807 1 12 . 1 1 104 104 LEU N N 104 119.575 119.575 121.935 -2.360 18229 7808 1 12 . 1 1 104 104 LEU HA H 104 3.882 3.882 4.050 -0.168 18229 7809 1 12 . 1 1 104 104 LEU C C 104 177.935 177.935 178.401 -0.466 18229 7810 1 12 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.327 -0.351 18229 7811 1 12 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.880 0.442 18229 7812 1 12 . 1 1 104 104 LEU H H 104 8.537 8.537 8.590 -0.053 18229 7813 1 12 . 1 1 105 105 GLN N N 105 119.463 119.463 117.074 2.389 18229 7814 1 12 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.984 -0.275 18229 7815 1 12 . 1 1 105 105 GLN C C 105 178.507 178.507 177.970 0.537 18229 7816 1 12 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.498 1.242 18229 7817 1 12 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.332 0.307 18229 7818 1 12 . 1 1 105 105 GLN H H 105 8.736 8.736 7.832 0.904 18229 7819 1 12 . 1 1 106 106 GLN N N 106 118.984 118.984 119.679 -0.695 18229 7820 1 12 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.094 -0.118 18229 7821 1 12 . 1 1 106 106 GLN C C 106 178.454 178.454 177.531 0.923 18229 7822 1 12 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.350 0.668 18229 7823 1 12 . 1 1 106 106 GLN CB C 106 28.452 28.452 27.821 0.631 18229 7824 1 12 . 1 1 106 106 GLN H H 106 7.689 7.689 7.744 -0.055 18229 7825 1 12 . 1 1 107 107 ILE N N 107 119.928 119.928 118.954 0.974 18229 7826 1 12 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.842 -0.379 18229 7827 1 12 . 1 1 107 107 ILE C C 107 177.492 177.492 178.025 -0.533 18229 7828 1 12 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.022 1.420 18229 7829 1 12 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.287 1.208 18229 7830 1 12 . 1 1 107 107 ILE H H 107 7.910 7.910 7.197 0.713 18229 7831 1 12 . 1 1 108 108 ILE N N 108 117.958 117.958 121.216 -3.258 18229 7832 1 12 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.363 2.396 18229 7833 1 12 . 1 1 108 108 ILE C C 108 178.625 178.625 177.844 0.781 18229 7834 1 12 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.499 1.080 18229 7835 1 12 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.472 1.780 18229 7836 1 12 . 1 1 108 108 ILE H H 108 8.767 8.767 7.369 1.398 18229 7837 1 12 . 1 1 109 109 SER N N 109 113.450 113.450 114.745 -1.295 18229 7838 1 12 . 1 1 109 109 SER HA H 109 4.271 4.271 3.981 0.290 18229 7839 1 12 . 1 1 109 109 SER C C 109 175.966 175.966 176.770 -0.804 18229 7840 1 12 . 1 1 109 109 SER CA C 109 62.205 62.205 61.815 0.390 18229 7841 1 12 . 1 1 109 109 SER CB C 109 63.094 63.094 62.264 0.830 18229 7842 1 12 . 1 1 109 109 SER H H 109 7.797 7.797 8.162 -0.365 18229 7843 1 12 . 1 1 110 110 ARG N N 110 120.739 120.739 121.141 -0.402 18229 7844 1 12 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.169 -0.050 18229 7845 1 12 . 1 1 110 110 ARG C C 110 179.056 179.056 179.309 -0.253 18229 7846 1 12 . 1 1 110 110 ARG CA C 110 58.820 58.820 59.109 -0.290 18229 7847 1 12 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.429 -0.630 18229 7848 1 12 . 1 1 110 110 ARG H H 110 7.450 7.450 8.090 -0.640 18229 7849 1 12 . 1 1 111 111 TYR N N 111 117.972 117.972 118.921 -0.949 18229 7850 1 12 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.321 0.385 18229 7851 1 12 . 1 1 111 111 TYR C C 111 177.853 177.853 177.949 -0.096 18229 7852 1 12 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.774 0.839 18229 7853 1 12 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.281 0.027 18229 7854 1 12 . 1 1 111 111 TYR H H 111 7.558 7.558 8.571 -1.013 18229 7855 1 12 . 1 1 112 112 LYS N N 112 120.615 120.615 118.561 2.054 18229 7856 1 12 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.169 0.212 18229 7857 1 12 . 1 1 112 112 LYS C C 112 177.893 177.893 177.926 -0.033 18229 7858 1 12 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.609 -0.020 18229 7859 1 12 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.013 0.590 18229 7860 1 12 . 1 1 112 112 LYS H H 112 8.080 8.080 7.536 0.544 18229 7861 1 12 . 1 1 113 113 ASP N N 113 120.325 120.325 120.047 0.278 18229 7862 1 12 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.481 0.163 18229 7863 1 12 . 1 1 113 113 ASP C C 113 176.950 176.950 177.270 -0.320 18229 7864 1 12 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.962 -0.700 18229 7865 1 12 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.962 -0.071 18229 7866 1 12 . 1 1 113 113 ASP H H 113 8.191 8.191 8.328 -0.137 18229 7867 1 12 . 1 1 114 114 ALA N N 114 122.906 122.906 120.645 2.261 18229 7868 1 12 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.335 0.013 18229 7869 1 12 . 1 1 114 114 ALA C C 114 178.055 178.055 177.969 0.086 18229 7870 1 12 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.134 1.040 18229 7871 1 12 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.398 -0.298 18229 7872 1 12 . 1 1 114 114 ALA H H 114 7.900 7.900 7.718 0.182 18229 7873 1 13 . 1 1 2 2 SER N N 2 113.055 113.055 115.040 -1.985 18229 7874 1 13 . 1 1 2 2 SER HA H 2 4.418 4.418 4.220 0.199 18229 7875 1 13 . 1 1 2 2 SER C C 2 174.994 174.994 174.585 0.409 18229 7876 1 13 . 1 1 2 2 SER CA C 2 58.540 58.540 59.452 -0.912 18229 7877 1 13 . 1 1 2 2 SER CB C 2 63.748 63.748 63.585 0.163 18229 7878 1 13 . 1 1 2 2 SER H H 2 8.061 8.061 8.118 -0.057 18229 7879 1 13 . 1 1 3 3 HIS N N 3 119.062 119.062 118.035 1.027 18229 7880 1 13 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.601 0.134 18229 7881 1 13 . 1 1 3 3 HIS C C 3 173.417 173.417 174.245 -0.828 18229 7882 1 13 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.856 -0.552 18229 7883 1 13 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.326 0.221 18229 7884 1 13 . 1 1 3 3 HIS H H 3 8.410 8.410 8.146 0.264 18229 7885 1 13 . 1 1 4 4 SER N N 4 113.520 113.520 112.924 0.596 18229 7886 1 13 . 1 1 4 4 SER HA H 4 5.516 5.516 4.946 0.570 18229 7887 1 13 . 1 1 4 4 SER C C 4 173.602 173.602 172.808 0.794 18229 7888 1 13 . 1 1 4 4 SER CA C 4 57.005 57.005 57.560 -0.555 18229 7889 1 13 . 1 1 4 4 SER CB C 4 65.989 65.989 66.622 -0.633 18229 7890 1 13 . 1 1 4 4 SER H H 4 7.817 7.817 7.298 0.519 18229 7891 1 13 . 1 1 5 5 GLY N N 5 106.959 106.959 105.908 1.051 18229 7892 1 13 . 1 1 5 5 GLY C C 5 171.058 171.058 172.011 -0.953 18229 7893 1 13 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.808 -0.337 18229 7894 1 13 . 1 1 5 5 GLY H H 5 8.356 8.356 8.870 -0.514 18229 7895 1 13 . 1 1 6 6 ALA N N 6 125.264 125.264 123.307 1.957 18229 7896 1 13 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.600 0.361 18229 7897 1 13 . 1 1 6 6 ALA C C 6 176.831 176.831 176.028 0.803 18229 7898 1 13 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.801 0.944 18229 7899 1 13 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.273 -0.893 18229 7900 1 13 . 1 1 6 6 ALA H H 6 8.641 8.641 8.537 0.104 18229 7901 1 13 . 1 1 7 7 ALA N N 7 119.937 119.937 123.426 -3.489 18229 7902 1 13 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.211 0.444 18229 7903 1 13 . 1 1 7 7 ALA C C 7 176.683 176.683 175.561 1.122 18229 7904 1 13 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.143 1.602 18229 7905 1 13 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.913 2.124 18229 7906 1 13 . 1 1 7 7 ALA H H 7 8.370 8.370 8.224 0.146 18229 7907 1 13 . 1 1 8 8 ILE N N 8 125.430 125.430 119.366 6.064 18229 7908 1 13 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.178 -0.183 18229 7909 1 13 . 1 1 8 8 ILE C C 8 175.310 175.310 174.940 0.370 18229 7910 1 13 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.274 1.678 18229 7911 1 13 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.415 1.272 18229 7912 1 13 . 1 1 8 8 ILE H H 8 9.349 9.349 8.288 1.061 18229 7913 1 13 . 1 1 9 9 PHE N N 9 128.906 128.906 127.703 1.203 18229 7914 1 13 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.523 -0.231 18229 7915 1 13 . 1 1 9 9 PHE C C 9 173.925 173.925 174.548 -0.623 18229 7916 1 13 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.394 0.877 18229 7917 1 13 . 1 1 9 9 PHE CB C 9 39.567 39.567 40.050 -0.483 18229 7918 1 13 . 1 1 9 9 PHE H H 9 8.450 8.450 8.665 -0.215 18229 7919 1 13 . 1 1 10 10 GLU N N 10 126.509 126.509 127.479 -0.970 18229 7920 1 13 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.743 -0.539 18229 7921 1 13 . 1 1 10 10 GLU C C 10 175.157 175.157 175.612 -0.455 18229 7922 1 13 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.914 -0.135 18229 7923 1 13 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.952 -1.503 18229 7924 1 13 . 1 1 10 10 GLU H H 10 8.749 8.749 8.768 -0.019 18229 7925 1 13 . 1 1 11 11 LYS N N 11 105.729 105.729 110.613 -4.884 18229 7926 1 13 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.883 -0.480 18229 7927 1 13 . 1 1 11 11 LYS C C 11 175.543 175.543 175.500 0.043 18229 7928 1 13 . 1 1 11 11 LYS CA C 11 58.554 58.554 58.021 0.533 18229 7929 1 13 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.671 -1.494 18229 7930 1 13 . 1 1 11 11 LYS H H 11 7.931 7.931 8.411 -0.480 18229 7931 1 13 . 1 1 12 12 VAL N N 12 123.753 123.753 120.987 2.766 18229 7932 1 13 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.270 0.147 18229 7933 1 13 . 1 1 12 12 VAL C C 12 175.120 175.120 175.351 -0.231 18229 7934 1 13 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.353 0.419 18229 7935 1 13 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.146 0.135 18229 7936 1 13 . 1 1 12 12 VAL H H 12 7.901 7.901 7.296 0.605 18229 7937 1 13 . 1 1 13 13 SER N N 13 121.941 121.941 120.780 1.161 18229 7938 1 13 . 1 1 13 13 SER HA H 13 4.627 4.627 5.010 -0.383 18229 7939 1 13 . 1 1 13 13 SER C C 13 175.339 175.339 174.022 1.317 18229 7940 1 13 . 1 1 13 13 SER CA C 13 59.813 59.813 58.154 1.659 18229 7941 1 13 . 1 1 13 13 SER CB C 13 63.763 63.763 64.131 -0.368 18229 7942 1 13 . 1 1 13 13 SER H H 13 8.876 8.876 8.739 0.137 18229 7943 1 13 . 1 1 14 14 GLY N N 14 113.199 113.199 114.237 -1.038 18229 7944 1 13 . 1 1 14 14 GLY C C 14 172.742 172.742 172.724 0.018 18229 7945 1 13 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.428 2.092 18229 7946 1 13 . 1 1 14 14 GLY H H 14 8.277 8.277 8.664 -0.387 18229 7947 1 13 . 1 1 15 15 ILE N N 15 123.240 123.240 120.280 2.960 18229 7948 1 13 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.473 0.337 18229 7949 1 13 . 1 1 15 15 ILE C C 15 175.370 175.370 173.804 1.566 18229 7950 1 13 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.850 0.470 18229 7951 1 13 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.026 0.580 18229 7952 1 13 . 1 1 15 15 ILE H H 15 8.298 8.298 8.316 -0.018 18229 7953 1 13 . 1 1 16 16 ILE N N 16 127.865 127.865 126.426 1.439 18229 7954 1 13 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.568 0.432 18229 7955 1 13 . 1 1 16 16 ILE C C 16 173.119 173.119 174.119 -1.000 18229 7956 1 13 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.717 0.038 18229 7957 1 13 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.788 1.080 18229 7958 1 13 . 1 1 16 16 ILE H H 16 9.428 9.428 9.088 0.340 18229 7959 1 13 . 1 1 17 17 ALA N N 17 127.742 127.742 129.902 -2.160 18229 7960 1 13 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.906 0.168 18229 7961 1 13 . 1 1 17 17 ALA C C 17 176.203 176.203 176.171 0.032 18229 7962 1 13 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.067 0.324 18229 7963 1 13 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.641 0.549 18229 7964 1 13 . 1 1 17 17 ALA H H 17 8.966 8.966 8.121 0.845 18229 7965 1 13 . 1 1 18 18 ILE N N 18 122.269 122.269 124.230 -1.961 18229 7966 1 13 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.223 0.398 18229 7967 1 13 . 1 1 18 18 ILE C C 18 174.306 174.306 175.731 -1.425 18229 7968 1 13 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.157 -0.657 18229 7969 1 13 . 1 1 18 18 ILE CB C 18 39.147 39.147 38.953 0.194 18229 7970 1 13 . 1 1 18 18 ILE H H 18 8.672 8.672 8.553 0.119 18229 7971 1 13 . 1 1 19 19 ASN N N 19 127.575 127.575 124.838 2.737 18229 7972 1 13 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.839 0.223 18229 7973 1 13 . 1 1 19 19 ASN C C 19 174.730 174.730 174.906 -0.176 18229 7974 1 13 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.271 -0.542 18229 7975 1 13 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.942 -0.446 18229 7976 1 13 . 1 1 19 19 ASN H H 19 9.350 9.350 8.958 0.392 18229 7977 1 13 . 1 1 20 20 GLU N N 20 121.547 121.547 124.303 -2.756 18229 7978 1 13 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.141 0.536 18229 7979 1 13 . 1 1 20 20 GLU C C 20 176.091 176.091 175.797 0.294 18229 7980 1 13 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.319 -1.516 18229 7981 1 13 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.672 1.000 18229 7982 1 13 . 1 1 20 20 GLU H H 20 9.037 9.037 8.367 0.670 18229 7983 1 13 . 1 1 21 21 ASP N N 21 121.086 121.086 116.403 4.683 18229 7984 1 13 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.550 0.079 18229 7985 1 13 . 1 1 21 21 ASP C C 21 175.651 175.651 175.941 -0.290 18229 7986 1 13 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.579 0.920 18229 7987 1 13 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.944 -0.394 18229 7988 1 13 . 1 1 21 21 ASP H H 21 8.706 8.706 8.078 0.628 18229 7989 1 13 . 1 1 22 22 VAL N N 22 113.108 113.108 117.537 -4.429 18229 7990 1 13 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.365 -0.049 18229 7991 1 13 . 1 1 22 22 VAL C C 22 173.407 173.407 174.660 -1.253 18229 7992 1 13 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.705 -0.552 18229 7993 1 13 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.429 0.600 18229 7994 1 13 . 1 1 22 22 VAL H H 22 6.819 6.819 7.296 -0.477 18229 7995 1 13 . 1 1 23 23 SER N N 23 115.009 115.009 114.911 0.098 18229 7996 1 13 . 1 1 23 23 SER HA H 23 4.735 4.735 4.554 0.181 18229 7997 1 13 . 1 1 23 23 SER CA C 23 53.848 53.848 57.459 -3.611 18229 7998 1 13 . 1 1 23 23 SER CB C 23 64.810 64.810 64.073 0.737 18229 7999 1 13 . 1 1 23 23 SER H H 23 8.032 8.032 8.181 -0.149 18229 8000 1 13 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.453 0.331 18229 8001 1 13 . 1 1 24 24 PRO C C 24 174.825 174.825 175.762 -0.937 18229 8002 1 13 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.369 0.479 18229 8003 1 13 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.397 2.404 18229 8004 1 13 . 1 1 25 25 ALA N N 25 120.477 120.477 122.234 -1.757 18229 8005 1 13 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.303 0.212 18229 8006 1 13 . 1 1 25 25 ALA C C 25 175.878 175.878 176.613 -0.735 18229 8007 1 13 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.354 0.254 18229 8008 1 13 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.090 0.364 18229 8009 1 13 . 1 1 25 25 ALA H H 25 8.013 8.013 8.239 -0.226 18229 8010 1 13 . 1 1 26 26 GLU N N 26 115.417 115.417 115.102 0.315 18229 8011 1 13 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.198 -0.127 18229 8012 1 13 . 1 1 26 26 GLU C C 26 174.599 174.599 174.930 -0.331 18229 8013 1 13 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.363 -1.376 18229 8014 1 13 . 1 1 26 26 GLU CB C 26 34.265 34.265 34.374 -0.110 18229 8015 1 13 . 1 1 26 26 GLU H H 26 7.821 7.821 7.929 -0.108 18229 8016 1 13 . 1 1 27 27 LEU N N 27 124.622 124.622 123.238 1.384 18229 8017 1 13 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.230 -0.192 18229 8018 1 13 . 1 1 27 27 LEU C C 27 174.704 174.704 175.503 -0.799 18229 8019 1 13 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.208 0.549 18229 8020 1 13 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.507 1.139 18229 8021 1 13 . 1 1 27 27 LEU H H 27 8.863 8.863 9.048 -0.185 18229 8022 1 13 . 1 1 28 28 THR N N 28 121.755 121.755 119.763 1.992 18229 8023 1 13 . 1 1 28 28 THR HA H 28 5.152 5.152 4.965 0.187 18229 8024 1 13 . 1 1 28 28 THR C C 28 172.573 172.573 173.300 -0.727 18229 8025 1 13 . 1 1 28 28 THR CA C 28 61.452 61.452 62.308 -0.856 18229 8026 1 13 . 1 1 28 28 THR CB C 28 71.480 71.480 69.844 1.636 18229 8027 1 13 . 1 1 28 28 THR H H 28 9.276 9.276 9.009 0.267 18229 8028 1 13 . 1 1 29 29 TRP N N 29 128.764 128.764 130.887 -2.123 18229 8029 1 13 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.959 0.489 18229 8030 1 13 . 1 1 29 29 TRP C C 29 173.881 173.881 174.247 -0.366 18229 8031 1 13 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.295 -0.505 18229 8032 1 13 . 1 1 29 29 TRP CB C 29 32.330 32.330 30.917 1.413 18229 8033 1 13 . 1 1 29 29 TRP H H 29 9.383 9.383 9.557 -0.174 18229 8034 1 13 . 1 1 30 30 ARG N N 30 126.417 126.417 129.996 -3.579 18229 8035 1 13 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.650 0.157 18229 8036 1 13 . 1 1 30 30 ARG C C 30 174.712 174.712 175.418 -0.706 18229 8037 1 13 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.645 -0.178 18229 8038 1 13 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.696 0.122 18229 8039 1 13 . 1 1 30 30 ARG H H 30 7.579 7.579 9.162 -1.583 18229 8040 1 13 . 1 1 31 31 SER N N 31 118.415 118.415 122.109 -3.694 18229 8041 1 13 . 1 1 31 31 SER HA H 31 4.480 4.480 3.676 0.804 18229 8042 1 13 . 1 1 31 31 SER C C 31 176.360 176.360 174.998 1.362 18229 8043 1 13 . 1 1 31 31 SER CA C 31 58.070 58.070 60.192 -2.122 18229 8044 1 13 . 1 1 31 31 SER CB C 31 64.272 64.272 63.539 0.733 18229 8045 1 13 . 1 1 31 31 SER H H 31 8.078 8.078 8.757 -0.679 18229 8046 1 13 . 1 1 32 32 THR N N 32 119.175 119.175 117.501 1.674 18229 8047 1 13 . 1 1 32 32 THR HA H 32 3.847 3.847 4.116 -0.269 18229 8048 1 13 . 1 1 32 32 THR C C 32 175.602 175.602 175.368 0.234 18229 8049 1 13 . 1 1 32 32 THR CA C 32 66.265 66.265 65.497 0.768 18229 8050 1 13 . 1 1 32 32 THR CB C 32 68.557 68.557 68.896 -0.339 18229 8051 1 13 . 1 1 32 32 THR H H 32 8.520 8.520 8.314 0.206 18229 8052 1 13 . 1 1 33 33 ASP N N 33 117.286 117.286 119.736 -2.450 18229 8053 1 13 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.639 -0.022 18229 8054 1 13 . 1 1 33 33 ASP C C 33 177.056 177.056 176.789 0.267 18229 8055 1 13 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.622 -0.397 18229 8056 1 13 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.027 -0.149 18229 8057 1 13 . 1 1 33 33 ASP H H 33 8.223 8.223 8.284 -0.061 18229 8058 1 13 . 1 1 34 34 GLY N N 34 109.197 109.197 107.763 1.434 18229 8059 1 13 . 1 1 34 34 GLY C C 34 173.762 173.762 174.463 -0.701 18229 8060 1 13 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.992 0.407 18229 8061 1 13 . 1 1 34 34 GLY H H 34 7.914 7.914 8.037 -0.123 18229 8062 1 13 . 1 1 35 35 ASP N N 35 118.081 118.081 119.343 -1.262 18229 8063 1 13 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.651 -0.132 18229 8064 1 13 . 1 1 35 35 ASP C C 35 175.366 175.366 176.576 -1.210 18229 8065 1 13 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.106 -0.246 18229 8066 1 13 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.035 -0.062 18229 8067 1 13 . 1 1 35 35 ASP H H 35 8.238 8.238 8.592 -0.354 18229 8068 1 13 . 1 1 36 36 LYS N N 36 120.362 120.362 116.068 4.294 18229 8069 1 13 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.407 0.427 18229 8070 1 13 . 1 1 36 36 LYS C C 36 174.568 174.568 173.628 0.940 18229 8071 1 13 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.674 -0.138 18229 8072 1 13 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.037 0.742 18229 8073 1 13 . 1 1 36 36 LYS H H 36 7.749 7.749 7.727 0.022 18229 8074 1 13 . 1 1 37 37 VAL N N 37 121.758 121.758 119.940 1.818 18229 8075 1 13 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.360 -0.089 18229 8076 1 13 . 1 1 37 37 VAL C C 37 175.209 175.209 174.135 1.074 18229 8077 1 13 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.446 -0.183 18229 8078 1 13 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.117 0.866 18229 8079 1 13 . 1 1 37 37 VAL H H 37 8.526 8.526 8.405 0.121 18229 8080 1 13 . 1 1 38 38 HIS N N 38 126.087 126.087 126.485 -0.398 18229 8081 1 13 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.914 0.107 18229 8082 1 13 . 1 1 38 38 HIS C C 38 173.116 173.116 174.425 -1.309 18229 8083 1 13 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.827 0.981 18229 8084 1 13 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.564 0.419 18229 8085 1 13 . 1 1 38 38 HIS H H 38 9.633 9.633 9.597 0.036 18229 8086 1 13 . 1 1 39 39 THR N N 39 124.455 124.455 120.820 3.635 18229 8087 1 13 . 1 1 39 39 THR HA H 39 5.155 5.155 5.226 -0.071 18229 8088 1 13 . 1 1 39 39 THR C C 39 173.102 173.102 173.583 -0.481 18229 8089 1 13 . 1 1 39 39 THR CA C 39 61.637 61.637 61.351 0.286 18229 8090 1 13 . 1 1 39 39 THR CB C 39 70.716 70.716 69.672 1.044 18229 8091 1 13 . 1 1 39 39 THR H H 39 8.415 8.415 8.588 -0.173 18229 8092 1 13 . 1 1 40 40 VAL N N 40 126.066 126.066 124.366 1.700 18229 8093 1 13 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.228 -0.275 18229 8094 1 13 . 1 1 40 40 VAL C C 40 174.693 174.693 173.880 0.813 18229 8095 1 13 . 1 1 40 40 VAL CA C 40 60.348 60.348 59.953 0.396 18229 8096 1 13 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.182 -1.908 18229 8097 1 13 . 1 1 40 40 VAL H H 40 9.387 9.387 9.266 0.121 18229 8098 1 13 . 1 1 41 41 VAL N N 41 129.775 129.775 128.559 1.216 18229 8099 1 13 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.472 -0.484 18229 8100 1 13 . 1 1 41 41 VAL C C 41 179.424 179.424 176.634 2.790 18229 8101 1 13 . 1 1 41 41 VAL CA C 41 63.744 63.744 61.100 2.644 18229 8102 1 13 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.306 -0.355 18229 8103 1 13 . 1 1 41 41 VAL H H 41 9.021 9.021 8.703 0.318 18229 8104 1 13 . 1 1 42 42 LEU N N 42 129.645 129.645 127.659 1.986 18229 8105 1 13 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.098 -0.125 18229 8106 1 13 . 1 1 42 42 LEU C C 42 176.259 176.259 178.005 -1.746 18229 8107 1 13 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.435 1.208 18229 8108 1 13 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.519 -0.691 18229 8109 1 13 . 1 1 42 42 LEU H H 42 9.147 9.147 8.543 0.604 18229 8110 1 13 . 1 1 43 43 SER N N 43 110.158 110.158 111.172 -1.014 18229 8111 1 13 . 1 1 43 43 SER HA H 43 4.310 4.310 4.234 0.076 18229 8112 1 13 . 1 1 43 43 SER C C 43 175.263 175.263 175.542 -0.279 18229 8113 1 13 . 1 1 43 43 SER CA C 43 59.620 59.620 60.541 -0.921 18229 8114 1 13 . 1 1 43 43 SER CB C 43 61.543 61.543 63.565 -2.022 18229 8115 1 13 . 1 1 43 43 SER H H 43 7.006 7.006 8.295 -1.289 18229 8116 1 13 . 1 1 44 44 THR N N 44 110.206 110.206 113.321 -3.115 18229 8117 1 13 . 1 1 44 44 THR HA H 44 4.504 4.504 4.195 0.309 18229 8118 1 13 . 1 1 44 44 THR C C 44 173.489 173.489 175.978 -2.489 18229 8119 1 13 . 1 1 44 44 THR CA C 44 62.024 62.024 63.824 -1.800 18229 8120 1 13 . 1 1 44 44 THR CB C 44 69.805 69.805 69.049 0.756 18229 8121 1 13 . 1 1 44 44 THR H H 44 7.571 7.571 7.634 -0.063 18229 8122 1 13 . 1 1 45 45 ILE N N 45 120.322 120.322 123.839 -3.517 18229 8123 1 13 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.146 0.121 18229 8124 1 13 . 1 1 45 45 ILE C C 45 174.103 174.103 176.149 -2.046 18229 8125 1 13 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.131 -3.161 18229 8126 1 13 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.087 0.473 18229 8127 1 13 . 1 1 45 45 ILE H H 45 6.975 6.975 7.972 -0.997 18229 8128 1 13 . 1 1 46 46 ASP N N 46 126.492 126.492 127.146 -0.654 18229 8129 1 13 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.370 0.341 18229 8130 1 13 . 1 1 46 46 ASP C C 46 175.431 175.431 175.621 -0.190 18229 8131 1 13 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.381 -1.548 18229 8132 1 13 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.721 2.814 18229 8133 1 13 . 1 1 46 46 ASP H H 46 9.262 9.262 8.907 0.355 18229 8134 1 13 . 1 1 47 47 LYS N N 47 112.726 112.726 113.234 -0.508 18229 8135 1 13 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.428 0.279 18229 8136 1 13 . 1 1 47 47 LYS C C 47 172.673 172.673 173.685 -1.012 18229 8137 1 13 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.495 -0.674 18229 8138 1 13 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.192 2.417 18229 8139 1 13 . 1 1 47 47 LYS H H 47 7.572 7.572 7.363 0.209 18229 8140 1 13 . 1 1 48 48 LEU N N 48 124.840 124.840 122.991 1.849 18229 8141 1 13 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.911 0.140 18229 8142 1 13 . 1 1 48 48 LEU C C 48 173.965 173.965 175.900 -1.935 18229 8143 1 13 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.203 -1.183 18229 8144 1 13 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.621 1.942 18229 8145 1 13 . 1 1 48 48 LEU H H 48 9.013 9.013 8.550 0.463 18229 8146 1 13 . 1 1 49 49 GLN N N 49 121.648 121.648 125.293 -3.645 18229 8147 1 13 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.795 0.723 18229 8148 1 13 . 1 1 49 49 GLN C C 49 174.700 174.700 173.942 0.758 18229 8149 1 13 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.116 -0.517 18229 8150 1 13 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.112 0.914 18229 8151 1 13 . 1 1 49 49 GLN H H 49 9.260 9.260 9.448 -0.188 18229 8152 1 13 . 1 1 50 50 ALA N N 50 122.020 122.020 124.545 -2.525 18229 8153 1 13 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.234 0.513 18229 8154 1 13 . 1 1 50 50 ALA C C 50 177.167 177.167 176.391 0.776 18229 8155 1 13 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.135 -0.543 18229 8156 1 13 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.144 2.219 18229 8157 1 13 . 1 1 50 50 ALA H H 50 9.286 9.286 8.414 0.872 18229 8158 1 13 . 1 1 51 51 THR N N 51 114.222 114.222 115.951 -1.729 18229 8159 1 13 . 1 1 51 51 THR HA H 51 4.735 4.735 4.515 0.220 18229 8160 1 13 . 1 1 51 51 THR CA C 51 59.228 59.228 61.173 -1.945 18229 8161 1 13 . 1 1 51 51 THR CB C 51 67.954 67.954 68.857 -0.903 18229 8162 1 13 . 1 1 51 51 THR H H 51 8.340 8.340 8.772 -0.432 18229 8163 1 13 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.534 0.036 18229 8164 1 13 . 1 1 52 52 PRO C C 52 178.621 178.621 177.405 1.216 18229 8165 1 13 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.329 0.099 18229 8166 1 13 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.144 0.576 18229 8167 1 13 . 1 1 53 53 ALA N N 53 126.566 126.566 122.885 3.681 18229 8168 1 13 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.086 -0.031 18229 8169 1 13 . 1 1 53 53 ALA C C 53 177.578 177.578 179.490 -1.912 18229 8170 1 13 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.661 0.159 18229 8171 1 13 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.614 -0.757 18229 8172 1 13 . 1 1 53 53 ALA H H 53 9.109 9.109 8.558 0.551 18229 8173 1 13 . 1 1 54 54 SER N N 54 107.184 107.184 112.296 -5.112 18229 8174 1 13 . 1 1 54 54 SER HA H 54 4.235 4.235 4.339 -0.104 18229 8175 1 13 . 1 1 54 54 SER C C 54 174.838 174.838 174.564 0.274 18229 8176 1 13 . 1 1 54 54 SER CA C 54 58.116 58.116 59.859 -1.743 18229 8177 1 13 . 1 1 54 54 SER CB C 54 63.021 63.021 63.200 -0.179 18229 8178 1 13 . 1 1 54 54 SER H H 54 7.595 7.595 8.152 -0.557 18229 8179 1 13 . 1 1 55 55 SER N N 55 117.098 117.098 117.462 -0.364 18229 8180 1 13 . 1 1 55 55 SER HA H 55 4.484 4.484 4.407 0.077 18229 8181 1 13 . 1 1 55 55 SER C C 55 174.833 174.833 174.584 0.249 18229 8182 1 13 . 1 1 55 55 SER CA C 55 57.510 57.510 59.089 -1.579 18229 8183 1 13 . 1 1 55 55 SER CB C 55 64.121 64.121 63.631 0.490 18229 8184 1 13 . 1 1 55 55 SER H H 55 7.613 7.613 7.505 0.108 18229 8185 1 13 . 1 1 56 56 GLU N N 56 125.258 125.258 124.255 1.003 18229 8186 1 13 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.031 0.098 18229 8187 1 13 . 1 1 56 56 GLU C C 56 177.852 177.852 175.815 2.037 18229 8188 1 13 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.581 -0.970 18229 8189 1 13 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.902 -0.478 18229 8190 1 13 . 1 1 56 56 GLU H H 56 8.849 8.849 8.756 0.093 18229 8191 1 13 . 1 1 57 57 LYS N N 57 119.058 119.058 116.046 3.012 18229 8192 1 13 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.569 -0.270 18229 8193 1 13 . 1 1 57 57 LYS C C 57 175.699 175.699 175.379 0.320 18229 8194 1 13 . 1 1 57 57 LYS CA C 57 55.645 55.645 54.807 0.838 18229 8195 1 13 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.915 0.355 18229 8196 1 13 . 1 1 57 57 LYS H H 57 8.060 8.060 7.623 0.437 18229 8197 1 13 . 1 1 58 58 MET N N 58 123.967 123.967 124.219 -0.252 18229 8198 1 13 . 1 1 58 58 MET HA H 58 4.345 4.345 4.768 -0.423 18229 8199 1 13 . 1 1 58 58 MET C C 58 174.213 174.213 176.031 -1.818 18229 8200 1 13 . 1 1 58 58 MET CA C 58 55.170 55.170 55.217 -0.047 18229 8201 1 13 . 1 1 58 58 MET CB C 58 35.330 35.330 33.939 1.391 18229 8202 1 13 . 1 1 58 58 MET H H 58 8.828 8.828 8.758 0.070 18229 8203 1 13 . 1 1 59 59 MET N N 59 120.929 120.929 120.540 0.389 18229 8204 1 13 . 1 1 59 59 MET HA H 59 5.905 5.905 5.280 0.625 18229 8205 1 13 . 1 1 59 59 MET C C 59 174.521 174.521 174.291 0.230 18229 8206 1 13 . 1 1 59 59 MET CA C 59 55.038 55.038 55.600 -0.562 18229 8207 1 13 . 1 1 59 59 MET CB C 59 39.549 39.549 37.371 2.178 18229 8208 1 13 . 1 1 59 59 MET H H 59 8.528 8.528 9.484 -0.956 18229 8209 1 13 . 1 1 60 60 LEU N N 60 117.623 117.623 121.432 -3.809 18229 8210 1 13 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.172 0.493 18229 8211 1 13 . 1 1 60 60 LEU C C 60 175.763 175.763 175.381 0.382 18229 8212 1 13 . 1 1 60 60 LEU CA C 60 53.185 53.185 54.024 -0.839 18229 8213 1 13 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.076 2.485 18229 8214 1 13 . 1 1 60 60 LEU H H 60 9.052 9.052 9.658 -0.606 18229 8215 1 13 . 1 1 61 61 ARG N N 61 120.407 120.407 121.284 -0.877 18229 8216 1 13 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.721 -0.250 18229 8217 1 13 . 1 1 61 61 ARG C C 61 173.286 173.286 174.022 -0.736 18229 8218 1 13 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.404 0.527 18229 8219 1 13 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.526 -0.191 18229 8220 1 13 . 1 1 61 61 ARG H H 61 9.180 9.180 9.565 -0.385 18229 8221 1 13 . 1 1 62 62 LEU N N 62 126.471 126.471 125.366 1.105 18229 8222 1 13 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.253 -0.055 18229 8223 1 13 . 1 1 62 62 LEU C C 62 175.447 175.447 176.142 -0.695 18229 8224 1 13 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.337 0.071 18229 8225 1 13 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.729 -1.296 18229 8226 1 13 . 1 1 62 62 LEU H H 62 9.203 9.203 8.952 0.251 18229 8227 1 13 . 1 1 63 63 ILE N N 63 123.282 123.282 123.577 -0.295 18229 8228 1 13 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.193 0.504 18229 8229 1 13 . 1 1 63 63 ILE C C 63 176.525 176.525 176.413 0.112 18229 8230 1 13 . 1 1 63 63 ILE CA C 63 59.676 59.676 60.154 -0.478 18229 8231 1 13 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.151 0.554 18229 8232 1 13 . 1 1 63 63 ILE H H 63 8.983 8.983 8.788 0.195 18229 8233 1 13 . 1 1 64 64 GLY N N 64 115.647 115.647 110.330 5.317 18229 8234 1 13 . 1 1 64 64 GLY C C 64 172.300 172.300 172.755 -0.455 18229 8235 1 13 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.554 2.108 18229 8236 1 13 . 1 1 64 64 GLY H H 64 9.372 9.372 8.446 0.926 18229 8237 1 13 . 1 1 65 65 LYS N N 65 119.107 119.107 120.091 -0.984 18229 8238 1 13 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.424 -0.118 18229 8239 1 13 . 1 1 65 65 LYS C C 65 177.404 177.404 175.699 1.705 18229 8240 1 13 . 1 1 65 65 LYS CA C 65 56.501 56.501 55.683 0.818 18229 8241 1 13 . 1 1 65 65 LYS CB C 65 34.418 34.418 33.457 0.961 18229 8242 1 13 . 1 1 65 65 LYS H H 65 8.289 8.289 8.291 -0.002 18229 8243 1 13 . 1 1 66 66 VAL N N 66 122.231 122.231 123.550 -1.319 18229 8244 1 13 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.224 -0.145 18229 8245 1 13 . 1 1 66 66 VAL C C 66 175.253 175.253 175.443 -0.190 18229 8246 1 13 . 1 1 66 66 VAL CA C 66 62.136 62.136 60.989 1.147 18229 8247 1 13 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.668 -0.384 18229 8248 1 13 . 1 1 66 66 VAL H H 66 8.607 8.607 8.494 0.113 18229 8249 1 13 . 1 1 67 67 ASP N N 67 125.538 125.538 125.575 -0.037 18229 8250 1 13 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.849 -0.150 18229 8251 1 13 . 1 1 67 67 ASP C C 67 176.601 176.601 176.521 0.080 18229 8252 1 13 . 1 1 67 67 ASP CA C 67 53.058 53.058 54.009 -0.951 18229 8253 1 13 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.415 0.457 18229 8254 1 13 . 1 1 67 67 ASP H H 67 8.457 8.457 8.741 -0.284 18229 8255 1 13 . 1 1 68 68 GLU N N 68 124.433 124.433 121.332 3.101 18229 8256 1 13 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.062 0.062 18229 8257 1 13 . 1 1 68 68 GLU C C 68 177.344 177.344 176.653 0.691 18229 8258 1 13 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.580 -0.945 18229 8259 1 13 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.253 0.427 18229 8260 1 13 . 1 1 68 68 GLU H H 68 8.712 8.712 8.349 0.363 18229 8261 1 13 . 1 1 69 69 SER N N 69 115.596 115.596 115.356 0.240 18229 8262 1 13 . 1 1 69 69 SER HA H 69 4.328 4.328 4.329 -0.001 18229 8263 1 13 . 1 1 69 69 SER C C 69 175.180 175.180 175.582 -0.402 18229 8264 1 13 . 1 1 69 69 SER CA C 69 60.146 60.146 60.504 -0.358 18229 8265 1 13 . 1 1 69 69 SER CB C 69 63.383 63.383 62.730 0.652 18229 8266 1 13 . 1 1 69 69 SER H H 69 8.467 8.467 8.389 0.078 18229 8267 1 13 . 1 1 70 70 LYS N N 70 121.738 121.738 121.210 0.528 18229 8268 1 13 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.204 0.202 18229 8269 1 13 . 1 1 70 70 LYS C C 70 176.165 176.165 176.696 -0.531 18229 8270 1 13 . 1 1 70 70 LYS CA C 70 55.410 55.410 57.116 -1.706 18229 8271 1 13 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.022 -0.522 18229 8272 1 13 . 1 1 70 70 LYS H H 70 7.675 7.675 7.691 -0.016 18229 8273 1 13 . 1 1 71 71 LYS N N 71 121.087 121.087 117.092 3.995 18229 8274 1 13 . 1 1 71 71 LYS HA H 71 4.408 4.408 3.968 0.440 18229 8275 1 13 . 1 1 71 71 LYS C C 71 176.134 176.134 175.252 0.882 18229 8276 1 13 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.847 -0.242 18229 8277 1 13 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.603 1.680 18229 8278 1 13 . 1 1 71 71 LYS H H 71 7.739 7.739 8.457 -0.718 18229 8279 1 13 . 1 1 72 72 ARG N N 72 122.147 122.147 121.187 0.960 18229 8280 1 13 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.437 0.147 18229 8281 1 13 . 1 1 72 72 ARG C C 72 175.217 175.217 175.520 -0.303 18229 8282 1 13 . 1 1 72 72 ARG CA C 72 55.041 55.041 55.216 -0.175 18229 8283 1 13 . 1 1 72 72 ARG CB C 72 32.354 32.354 33.169 -0.815 18229 8284 1 13 . 1 1 72 72 ARG H H 72 8.402 8.402 8.460 -0.058 18229 8285 1 13 . 1 1 73 73 LYS N N 73 121.242 121.242 120.101 1.141 18229 8286 1 13 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.675 0.224 18229 8287 1 13 . 1 1 73 73 LYS C C 73 176.966 176.966 174.999 1.967 18229 8288 1 13 . 1 1 73 73 LYS CA C 73 55.365 55.365 54.679 0.686 18229 8289 1 13 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.482 0.149 18229 8290 1 13 . 1 1 73 73 LYS H H 73 8.386 8.386 8.348 0.038 18229 8291 1 13 . 1 1 74 74 ASP N N 74 122.007 122.007 118.059 3.948 18229 8292 1 13 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.923 -0.272 18229 8293 1 13 . 1 1 74 74 ASP C C 74 177.401 177.401 176.784 0.617 18229 8294 1 13 . 1 1 74 74 ASP CA C 74 52.840 52.840 52.340 0.500 18229 8295 1 13 . 1 1 74 74 ASP CB C 74 41.008 41.008 43.342 -2.334 18229 8296 1 13 . 1 1 74 74 ASP H H 74 8.559 8.559 8.303 0.256 18229 8297 1 13 . 1 1 75 75 ASN N N 75 116.263 116.263 119.447 -3.184 18229 8298 1 13 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.551 -0.016 18229 8299 1 13 . 1 1 75 75 ASN C C 75 175.944 175.944 175.244 0.700 18229 8300 1 13 . 1 1 75 75 ASN CA C 75 54.877 54.877 55.157 -0.280 18229 8301 1 13 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.260 -0.150 18229 8302 1 13 . 1 1 75 75 ASN H H 75 8.414 8.414 8.641 -0.227 18229 8303 1 13 . 1 1 76 76 GLU N N 76 118.940 118.940 117.884 1.056 18229 8304 1 13 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.466 -0.073 18229 8305 1 13 . 1 1 76 76 GLU C C 76 176.512 176.512 176.645 -0.133 18229 8306 1 13 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.467 0.699 18229 8307 1 13 . 1 1 76 76 GLU CB C 76 30.010 30.010 28.409 1.601 18229 8308 1 13 . 1 1 76 76 GLU H H 76 8.133 8.133 7.699 0.434 18229 8309 1 13 . 1 1 77 77 GLY N N 77 108.056 108.056 109.210 -1.154 18229 8310 1 13 . 1 1 77 77 GLY C C 77 174.193 174.193 174.211 -0.018 18229 8311 1 13 . 1 1 77 77 GLY CA C 77 45.287 45.287 46.111 -0.824 18229 8312 1 13 . 1 1 77 77 GLY H H 77 8.083 8.083 7.754 0.329 18229 8313 1 13 . 1 1 78 78 ASN N N 78 119.896 119.896 117.630 2.266 18229 8314 1 13 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.533 0.209 18229 8315 1 13 . 1 1 78 78 ASN C C 78 175.006 175.006 174.941 0.065 18229 8316 1 13 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.823 0.004 18229 8317 1 13 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.365 -0.369 18229 8318 1 13 . 1 1 78 78 ASN H H 78 8.537 8.537 8.156 0.381 18229 8319 1 13 . 1 1 79 79 GLU N N 79 121.648 121.648 118.133 3.515 18229 8320 1 13 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.718 -0.247 18229 8321 1 13 . 1 1 79 79 GLU C C 79 176.268 176.268 176.130 0.138 18229 8322 1 13 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.618 0.992 18229 8323 1 13 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.533 -1.226 18229 8324 1 13 . 1 1 79 79 GLU H H 79 8.674 8.674 8.424 0.250 18229 8325 1 13 . 1 1 80 80 VAL N N 80 124.083 124.083 125.401 -1.318 18229 8326 1 13 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.029 0.219 18229 8327 1 13 . 1 1 80 80 VAL C C 80 175.537 175.537 176.184 -0.647 18229 8328 1 13 . 1 1 80 80 VAL CA C 80 61.465 61.465 64.275 -2.810 18229 8329 1 13 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.762 0.791 18229 8330 1 13 . 1 1 80 80 VAL H H 80 8.554 8.554 9.112 -0.558 18229 8331 1 13 . 1 1 81 81 VAL N N 81 126.640 126.640 119.372 7.268 18229 8332 1 13 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.771 0.656 18229 8333 1 13 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.660 -2.055 18229 8334 1 13 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.801 1.075 18229 8335 1 13 . 1 1 81 81 VAL H H 81 8.390 8.390 8.030 0.360 18229 8336 1 13 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.370 0.057 18229 8337 1 13 . 1 1 82 82 PRO C C 82 176.034 176.034 175.769 0.265 18229 8338 1 13 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.360 -0.650 18229 8339 1 13 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.385 -0.033 18229 8340 1 13 . 1 1 83 83 LYS N N 83 121.719 121.719 120.213 1.506 18229 8341 1 13 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.545 0.003 18229 8342 1 13 . 1 1 83 83 LYS CA C 83 53.856 53.856 53.797 0.059 18229 8343 1 13 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.583 -0.253 18229 8344 1 13 . 1 1 83 83 LYS H H 83 8.308 8.308 8.148 0.160 18229 8345 1 13 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.473 -0.177 18229 8346 1 13 . 1 1 84 84 PRO C C 84 176.773 176.773 175.928 0.845 18229 8347 1 13 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.507 0.049 18229 8348 1 13 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.059 0.559 18229 8349 1 13 . 1 1 85 85 GLN N N 85 121.395 121.395 123.652 -2.257 18229 8350 1 13 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.186 -0.045 18229 8351 1 13 . 1 1 85 85 GLN C C 85 174.940 174.940 174.836 0.104 18229 8352 1 13 . 1 1 85 85 GLN CA C 85 56.062 56.062 56.271 -0.209 18229 8353 1 13 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.804 -0.074 18229 8354 1 13 . 1 1 85 85 GLN H H 85 8.464 8.464 8.470 -0.006 18229 8355 1 13 . 1 1 86 86 ARG N N 86 121.035 121.035 120.296 0.739 18229 8356 1 13 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.781 0.346 18229 8357 1 13 . 1 1 86 86 ARG C C 86 175.052 175.052 175.449 -0.397 18229 8358 1 13 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.580 -0.046 18229 8359 1 13 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.867 -0.534 18229 8360 1 13 . 1 1 86 86 ARG H H 86 8.248 8.248 8.211 0.037 18229 8361 1 13 . 1 1 87 87 HIS N N 87 120.780 120.780 121.635 -0.855 18229 8362 1 13 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.561 0.121 18229 8363 1 13 . 1 1 87 87 HIS C C 87 173.558 173.558 173.844 -0.286 18229 8364 1 13 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.843 -0.651 18229 8365 1 13 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.446 2.608 18229 8366 1 13 . 1 1 87 87 HIS H H 87 8.659 8.659 9.011 -0.352 18229 8367 1 13 . 1 1 88 88 MET N N 88 126.780 126.780 123.255 3.525 18229 8368 1 13 . 1 1 88 88 MET HA H 88 5.283 5.283 4.323 0.960 18229 8369 1 13 . 1 1 88 88 MET C C 88 173.297 173.297 173.819 -0.522 18229 8370 1 13 . 1 1 88 88 MET CA C 88 54.835 54.835 55.161 -0.326 18229 8371 1 13 . 1 1 88 88 MET CB C 88 35.794 35.794 33.737 2.057 18229 8372 1 13 . 1 1 88 88 MET H H 88 8.710 8.710 8.255 0.455 18229 8373 1 13 . 1 1 89 89 PHE N N 89 122.543 122.543 123.275 -0.732 18229 8374 1 13 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.320 -0.125 18229 8375 1 13 . 1 1 89 89 PHE C C 89 174.410 174.410 174.763 -0.353 18229 8376 1 13 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.900 0.479 18229 8377 1 13 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.424 2.765 18229 8378 1 13 . 1 1 89 89 PHE H H 89 8.969 8.969 9.293 -0.324 18229 8379 1 13 . 1 1 90 90 SER N N 90 116.192 116.192 120.192 -4.000 18229 8380 1 13 . 1 1 90 90 SER HA H 90 5.696 5.696 4.848 0.848 18229 8381 1 13 . 1 1 90 90 SER C C 90 173.030 173.030 173.796 -0.766 18229 8382 1 13 . 1 1 90 90 SER CA C 90 56.771 56.771 57.853 -1.082 18229 8383 1 13 . 1 1 90 90 SER CB C 90 64.961 64.961 63.755 1.206 18229 8384 1 13 . 1 1 90 90 SER H H 90 8.657 8.657 8.563 0.094 18229 8385 1 13 . 1 1 91 91 PHE N N 91 120.710 120.710 125.369 -4.659 18229 8386 1 13 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.650 0.237 18229 8387 1 13 . 1 1 91 91 PHE C C 91 174.442 174.442 175.504 -1.062 18229 8388 1 13 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.220 -0.795 18229 8389 1 13 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.649 2.743 18229 8390 1 13 . 1 1 91 91 PHE H H 91 9.001 9.001 8.511 0.490 18229 8391 1 13 . 1 1 92 92 ASN N N 92 115.967 115.967 119.831 -3.864 18229 8392 1 13 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.856 0.251 18229 8393 1 13 . 1 1 92 92 ASN C C 92 174.835 174.835 173.942 0.893 18229 8394 1 13 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.218 -0.967 18229 8395 1 13 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.133 0.756 18229 8396 1 13 . 1 1 92 92 ASN H H 92 9.093 9.093 9.128 -0.035 18229 8397 1 13 . 1 1 93 93 ASN N N 93 118.401 118.401 117.186 1.215 18229 8398 1 13 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.841 0.081 18229 8399 1 13 . 1 1 93 93 ASN C C 93 174.524 174.524 174.263 0.261 18229 8400 1 13 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.364 -0.351 18229 8401 1 13 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.400 1.361 18229 8402 1 13 . 1 1 93 93 ASN H H 93 7.252 7.252 7.934 -0.682 18229 8403 1 13 . 1 1 94 94 ARG N N 94 129.175 129.175 124.882 4.293 18229 8404 1 13 . 1 1 94 94 ARG HA H 94 3.865 3.865 3.948 -0.083 18229 8405 1 13 . 1 1 94 94 ARG C C 94 176.797 176.797 176.950 -0.153 18229 8406 1 13 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.275 0.208 18229 8407 1 13 . 1 1 94 94 ARG CB C 94 30.129 30.129 29.996 0.133 18229 8408 1 13 . 1 1 94 94 ARG H H 94 9.309 9.309 8.987 0.322 18229 8409 1 13 . 1 1 95 95 THR N N 95 115.594 115.594 113.861 1.733 18229 8410 1 13 . 1 1 95 95 THR HA H 95 4.021 4.021 4.069 -0.048 18229 8411 1 13 . 1 1 95 95 THR C C 95 176.735 176.735 176.334 0.401 18229 8412 1 13 . 1 1 95 95 THR CA C 95 66.430 66.430 66.036 0.394 18229 8413 1 13 . 1 1 95 95 THR CB C 95 68.357 68.357 68.348 0.009 18229 8414 1 13 . 1 1 95 95 THR H H 95 7.973 7.973 8.177 -0.204 18229 8415 1 13 . 1 1 96 96 VAL N N 96 121.833 121.833 121.664 0.169 18229 8416 1 13 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.748 0.035 18229 8417 1 13 . 1 1 96 96 VAL C C 96 177.561 177.561 177.936 -0.375 18229 8418 1 13 . 1 1 96 96 VAL CA C 96 66.125 66.125 65.756 0.369 18229 8419 1 13 . 1 1 96 96 VAL CB C 96 32.201 32.201 30.549 1.653 18229 8420 1 13 . 1 1 96 96 VAL H H 96 7.565 7.565 7.610 -0.045 18229 8421 1 13 . 1 1 97 97 MET N N 97 117.429 117.429 118.085 -0.656 18229 8422 1 13 . 1 1 97 97 MET HA H 97 4.551 4.551 3.323 1.228 18229 8423 1 13 . 1 1 97 97 MET C C 97 177.257 177.257 177.668 -0.411 18229 8424 1 13 . 1 1 97 97 MET CA C 97 59.753 59.753 58.474 1.279 18229 8425 1 13 . 1 1 97 97 MET CB C 97 32.515 32.515 31.443 1.072 18229 8426 1 13 . 1 1 97 97 MET H H 97 7.336 7.336 8.251 -0.915 18229 8427 1 13 . 1 1 98 98 ASP N N 98 118.159 118.159 119.077 -0.918 18229 8428 1 13 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.310 0.005 18229 8429 1 13 . 1 1 98 98 ASP C C 98 178.771 178.771 177.689 1.082 18229 8430 1 13 . 1 1 98 98 ASP CA C 98 57.604 57.604 56.673 0.931 18229 8431 1 13 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.544 -0.879 18229 8432 1 13 . 1 1 98 98 ASP H H 98 8.712 8.712 8.244 0.468 18229 8433 1 13 . 1 1 99 99 ASN N N 99 120.354 120.354 117.347 3.007 18229 8434 1 13 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.558 -0.078 18229 8435 1 13 . 1 1 99 99 ASN C C 99 178.232 178.232 177.302 0.930 18229 8436 1 13 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.413 0.887 18229 8437 1 13 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.910 -0.462 18229 8438 1 13 . 1 1 99 99 ASN H H 99 8.084 8.084 7.232 0.852 18229 8439 1 13 . 1 1 100 100 ILE N N 100 120.990 120.990 121.875 -0.885 18229 8440 1 13 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.694 -0.057 18229 8441 1 13 . 1 1 100 100 ILE C C 100 177.463 177.463 178.166 -0.703 18229 8442 1 13 . 1 1 100 100 ILE CA C 100 62.773 62.773 65.084 -2.311 18229 8443 1 13 . 1 1 100 100 ILE CB C 100 35.467 35.467 36.531 -1.064 18229 8444 1 13 . 1 1 100 100 ILE H H 100 8.017 8.017 8.718 -0.701 18229 8445 1 13 . 1 1 101 101 LYS N N 101 120.814 120.814 118.440 2.374 18229 8446 1 13 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.894 -0.259 18229 8447 1 13 . 1 1 101 101 LYS C C 101 177.365 177.365 179.222 -1.857 18229 8448 1 13 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.389 1.247 18229 8449 1 13 . 1 1 101 101 LYS CB C 101 32.991 32.991 31.884 1.107 18229 8450 1 13 . 1 1 101 101 LYS H H 101 8.944 8.944 7.927 1.017 18229 8451 1 13 . 1 1 102 102 MET N N 102 116.514 116.514 117.771 -1.257 18229 8452 1 13 . 1 1 102 102 MET HA H 102 4.209 4.209 4.307 -0.098 18229 8453 1 13 . 1 1 102 102 MET C C 102 178.925 178.925 178.010 0.915 18229 8454 1 13 . 1 1 102 102 MET CA C 102 58.720 58.720 58.917 -0.197 18229 8455 1 13 . 1 1 102 102 MET CB C 102 32.299 32.299 33.135 -0.836 18229 8456 1 13 . 1 1 102 102 MET H H 102 8.123 8.123 7.696 0.427 18229 8457 1 13 . 1 1 103 103 THR N N 103 118.583 118.583 118.135 0.448 18229 8458 1 13 . 1 1 103 103 THR HA H 103 3.882 3.882 3.956 -0.074 18229 8459 1 13 . 1 1 103 103 THR C C 103 176.474 176.474 176.658 -0.184 18229 8460 1 13 . 1 1 103 103 THR CA C 103 66.489 66.489 67.543 -1.054 18229 8461 1 13 . 1 1 103 103 THR CB C 103 67.864 67.864 68.565 -0.701 18229 8462 1 13 . 1 1 103 103 THR H H 103 7.768 7.768 8.625 -0.857 18229 8463 1 13 . 1 1 104 104 LEU N N 104 119.575 119.575 120.798 -1.223 18229 8464 1 13 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.878 0.004 18229 8465 1 13 . 1 1 104 104 LEU C C 104 177.935 177.935 179.029 -1.094 18229 8466 1 13 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.486 -0.510 18229 8467 1 13 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.038 1.284 18229 8468 1 13 . 1 1 104 104 LEU H H 104 8.537 8.537 8.758 -0.221 18229 8469 1 13 . 1 1 105 105 GLN N N 105 119.463 119.463 117.421 2.042 18229 8470 1 13 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.841 -0.132 18229 8471 1 13 . 1 1 105 105 GLN C C 105 178.507 178.507 178.748 -0.241 18229 8472 1 13 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.905 0.835 18229 8473 1 13 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.021 0.618 18229 8474 1 13 . 1 1 105 105 GLN H H 105 8.736 8.736 7.650 1.086 18229 8475 1 13 . 1 1 106 106 GLN N N 106 118.984 118.984 117.988 0.996 18229 8476 1 13 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.983 -0.007 18229 8477 1 13 . 1 1 106 106 GLN C C 106 178.454 178.454 178.390 0.064 18229 8478 1 13 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.885 0.133 18229 8479 1 13 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.651 -0.199 18229 8480 1 13 . 1 1 106 106 GLN H H 106 7.689 7.689 8.255 -0.566 18229 8481 1 13 . 1 1 107 107 ILE N N 107 119.928 119.928 117.710 2.218 18229 8482 1 13 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.898 -0.435 18229 8483 1 13 . 1 1 107 107 ILE C C 107 177.492 177.492 177.913 -0.421 18229 8484 1 13 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.059 1.383 18229 8485 1 13 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.542 0.953 18229 8486 1 13 . 1 1 107 107 ILE H H 107 7.910 7.910 7.405 0.505 18229 8487 1 13 . 1 1 108 108 ILE N N 108 117.958 117.958 121.095 -3.137 18229 8488 1 13 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.356 2.403 18229 8489 1 13 . 1 1 108 108 ILE C C 108 178.625 178.625 177.680 0.945 18229 8490 1 13 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.944 0.635 18229 8491 1 13 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.533 1.719 18229 8492 1 13 . 1 1 108 108 ILE H H 108 8.767 8.767 8.510 0.257 18229 8493 1 13 . 1 1 109 109 SER N N 109 113.450 113.450 114.716 -1.266 18229 8494 1 13 . 1 1 109 109 SER HA H 109 4.271 4.271 3.931 0.340 18229 8495 1 13 . 1 1 109 109 SER C C 109 175.966 175.966 176.541 -0.575 18229 8496 1 13 . 1 1 109 109 SER CA C 109 62.205 62.205 61.371 0.834 18229 8497 1 13 . 1 1 109 109 SER CB C 109 63.094 63.094 62.651 0.443 18229 8498 1 13 . 1 1 109 109 SER H H 109 7.797 7.797 8.259 -0.462 18229 8499 1 13 . 1 1 110 110 ARG N N 110 120.739 120.739 120.121 0.618 18229 8500 1 13 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.126 -0.007 18229 8501 1 13 . 1 1 110 110 ARG C C 110 179.056 179.056 179.013 0.043 18229 8502 1 13 . 1 1 110 110 ARG CA C 110 58.820 58.820 59.061 -0.241 18229 8503 1 13 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.347 -0.548 18229 8504 1 13 . 1 1 110 110 ARG H H 110 7.450 7.450 8.107 -0.657 18229 8505 1 13 . 1 1 111 111 TYR N N 111 117.972 117.972 118.655 -0.683 18229 8506 1 13 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.339 0.367 18229 8507 1 13 . 1 1 111 111 TYR C C 111 177.853 177.853 177.968 -0.115 18229 8508 1 13 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.807 0.806 18229 8509 1 13 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.326 -0.018 18229 8510 1 13 . 1 1 111 111 TYR H H 111 7.558 7.558 8.433 -0.875 18229 8511 1 13 . 1 1 112 112 LYS N N 112 120.615 120.615 118.354 2.261 18229 8512 1 13 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.183 0.198 18229 8513 1 13 . 1 1 112 112 LYS C C 112 177.893 177.893 177.947 -0.054 18229 8514 1 13 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.514 0.075 18229 8515 1 13 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.053 0.550 18229 8516 1 13 . 1 1 112 112 LYS H H 112 8.080 8.080 7.392 0.688 18229 8517 1 13 . 1 1 113 113 ASP N N 113 120.325 120.325 120.135 0.190 18229 8518 1 13 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.490 0.154 18229 8519 1 13 . 1 1 113 113 ASP C C 113 176.950 176.950 177.257 -0.307 18229 8520 1 13 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.928 -0.665 18229 8521 1 13 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.836 0.055 18229 8522 1 13 . 1 1 113 113 ASP H H 113 8.191 8.191 8.388 -0.197 18229 8523 1 13 . 1 1 114 114 ALA N N 114 122.906 122.906 120.264 2.642 18229 8524 1 13 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.345 0.003 18229 8525 1 13 . 1 1 114 114 ALA C C 114 178.055 178.055 177.887 0.168 18229 8526 1 13 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.031 1.143 18229 8527 1 13 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.606 -0.506 18229 8528 1 13 . 1 1 114 114 ALA H H 114 7.900 7.900 7.681 0.219 18229 8529 1 14 . 1 1 2 2 SER N N 2 113.055 113.055 115.170 -2.115 18229 8530 1 14 . 1 1 2 2 SER HA H 2 4.418 4.418 4.179 0.239 18229 8531 1 14 . 1 1 2 2 SER C C 2 174.994 174.994 175.136 -0.142 18229 8532 1 14 . 1 1 2 2 SER CA C 2 58.540 58.540 60.536 -1.996 18229 8533 1 14 . 1 1 2 2 SER CB C 2 63.748 63.748 62.867 0.881 18229 8534 1 14 . 1 1 2 2 SER H H 2 8.061 8.061 8.565 -0.504 18229 8535 1 14 . 1 1 3 3 HIS N N 3 119.062 119.062 119.561 -0.499 18229 8536 1 14 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.620 0.115 18229 8537 1 14 . 1 1 3 3 HIS C C 3 173.417 173.417 173.779 -0.362 18229 8538 1 14 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.637 -0.333 18229 8539 1 14 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.338 0.209 18229 8540 1 14 . 1 1 3 3 HIS H H 3 8.410 8.410 8.423 -0.013 18229 8541 1 14 . 1 1 4 4 SER N N 4 113.520 113.520 113.129 0.391 18229 8542 1 14 . 1 1 4 4 SER HA H 4 5.516 5.516 5.204 0.312 18229 8543 1 14 . 1 1 4 4 SER C C 4 173.602 173.602 173.071 0.531 18229 8544 1 14 . 1 1 4 4 SER CA C 4 57.005 57.005 57.209 -0.204 18229 8545 1 14 . 1 1 4 4 SER CB C 4 65.989 65.989 66.621 -0.632 18229 8546 1 14 . 1 1 4 4 SER H H 4 7.817 7.817 7.500 0.317 18229 8547 1 14 . 1 1 5 5 GLY N N 5 106.959 106.959 105.793 1.166 18229 8548 1 14 . 1 1 5 5 GLY C C 5 171.058 171.058 172.116 -1.058 18229 8549 1 14 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.753 -0.282 18229 8550 1 14 . 1 1 5 5 GLY H H 5 8.356 8.356 8.543 -0.186 18229 8551 1 14 . 1 1 6 6 ALA N N 6 125.264 125.264 124.836 0.428 18229 8552 1 14 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.737 0.224 18229 8553 1 14 . 1 1 6 6 ALA C C 6 176.831 176.831 175.590 1.241 18229 8554 1 14 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.716 1.029 18229 8555 1 14 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.442 -1.062 18229 8556 1 14 . 1 1 6 6 ALA H H 6 8.641 8.641 8.613 0.028 18229 8557 1 14 . 1 1 7 7 ALA N N 7 119.937 119.937 122.287 -2.350 18229 8558 1 14 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.609 0.046 18229 8559 1 14 . 1 1 7 7 ALA C C 7 176.683 176.683 175.471 1.212 18229 8560 1 14 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.702 1.043 18229 8561 1 14 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.897 2.140 18229 8562 1 14 . 1 1 7 7 ALA H H 7 8.370 8.370 8.984 -0.614 18229 8563 1 14 . 1 1 8 8 ILE N N 8 125.430 125.430 119.690 5.740 18229 8564 1 14 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.274 -0.279 18229 8565 1 14 . 1 1 8 8 ILE C C 8 175.310 175.310 174.857 0.453 18229 8566 1 14 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.456 1.496 18229 8567 1 14 . 1 1 8 8 ILE CB C 8 39.687 39.687 37.955 1.732 18229 8568 1 14 . 1 1 8 8 ILE H H 8 9.349 9.349 8.410 0.939 18229 8569 1 14 . 1 1 9 9 PHE N N 9 128.906 128.906 127.918 0.988 18229 8570 1 14 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.549 -0.257 18229 8571 1 14 . 1 1 9 9 PHE C C 9 173.925 173.925 174.744 -0.819 18229 8572 1 14 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.110 1.161 18229 8573 1 14 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.351 0.216 18229 8574 1 14 . 1 1 9 9 PHE H H 9 8.450 8.450 8.914 -0.464 18229 8575 1 14 . 1 1 10 10 GLU N N 10 126.509 126.509 127.739 -1.230 18229 8576 1 14 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.837 -0.633 18229 8577 1 14 . 1 1 10 10 GLU C C 10 175.157 175.157 175.690 -0.533 18229 8578 1 14 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.214 -0.435 18229 8579 1 14 . 1 1 10 10 GLU CB C 10 26.449 26.449 28.147 -1.698 18229 8580 1 14 . 1 1 10 10 GLU H H 10 8.749 8.749 8.796 -0.047 18229 8581 1 14 . 1 1 11 11 LYS N N 11 105.729 105.729 112.629 -6.900 18229 8582 1 14 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.924 -0.521 18229 8583 1 14 . 1 1 11 11 LYS C C 11 175.543 175.543 175.212 0.331 18229 8584 1 14 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.995 0.559 18229 8585 1 14 . 1 1 11 11 LYS CB C 11 30.177 30.177 32.361 -2.184 18229 8586 1 14 . 1 1 11 11 LYS H H 11 7.931 7.931 8.462 -0.531 18229 8587 1 14 . 1 1 12 12 VAL N N 12 123.753 123.753 120.427 3.326 18229 8588 1 14 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.281 0.136 18229 8589 1 14 . 1 1 12 12 VAL C C 12 175.120 175.120 175.257 -0.137 18229 8590 1 14 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.262 0.510 18229 8591 1 14 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.317 -0.036 18229 8592 1 14 . 1 1 12 12 VAL H H 12 7.901 7.901 7.246 0.655 18229 8593 1 14 . 1 1 13 13 SER N N 13 121.941 121.941 120.979 0.962 18229 8594 1 14 . 1 1 13 13 SER HA H 13 4.627 4.627 4.890 -0.263 18229 8595 1 14 . 1 1 13 13 SER C C 13 175.339 175.339 174.424 0.915 18229 8596 1 14 . 1 1 13 13 SER CA C 13 59.813 59.813 58.107 1.706 18229 8597 1 14 . 1 1 13 13 SER CB C 13 63.763 63.763 63.352 0.411 18229 8598 1 14 . 1 1 13 13 SER H H 13 8.876 8.876 8.786 0.090 18229 8599 1 14 . 1 1 14 14 GLY N N 14 113.199 113.199 112.881 0.318 18229 8600 1 14 . 1 1 14 14 GLY C C 14 172.742 172.742 171.899 0.843 18229 8601 1 14 . 1 1 14 14 GLY CA C 14 46.520 46.520 43.803 2.717 18229 8602 1 14 . 1 1 14 14 GLY H H 14 8.277 8.277 9.810 -1.533 18229 8603 1 14 . 1 1 15 15 ILE N N 15 123.240 123.240 119.408 3.832 18229 8604 1 14 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.429 0.381 18229 8605 1 14 . 1 1 15 15 ILE C C 15 175.370 175.370 174.111 1.259 18229 8606 1 14 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.612 0.708 18229 8607 1 14 . 1 1 15 15 ILE CB C 15 41.606 41.606 38.635 2.971 18229 8608 1 14 . 1 1 15 15 ILE H H 15 8.298 8.298 8.732 -0.434 18229 8609 1 14 . 1 1 16 16 ILE N N 16 127.865 127.865 128.806 -0.941 18229 8610 1 14 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.560 0.440 18229 8611 1 14 . 1 1 16 16 ILE C C 16 173.119 173.119 174.138 -1.019 18229 8612 1 14 . 1 1 16 16 ILE CA C 16 59.755 59.755 60.061 -0.306 18229 8613 1 14 . 1 1 16 16 ILE CB C 16 41.868 41.868 39.493 2.375 18229 8614 1 14 . 1 1 16 16 ILE H H 16 9.428 9.428 9.037 0.391 18229 8615 1 14 . 1 1 17 17 ALA N N 17 127.742 127.742 131.861 -4.119 18229 8616 1 14 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.957 0.117 18229 8617 1 14 . 1 1 17 17 ALA C C 17 176.203 176.203 176.408 -0.205 18229 8618 1 14 . 1 1 17 17 ALA CA C 17 51.391 51.391 50.154 1.237 18229 8619 1 14 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.029 1.161 18229 8620 1 14 . 1 1 17 17 ALA H H 17 8.966 8.966 8.839 0.127 18229 8621 1 14 . 1 1 18 18 ILE N N 18 122.269 122.269 124.381 -2.112 18229 8622 1 14 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.206 0.415 18229 8623 1 14 . 1 1 18 18 ILE C C 18 174.306 174.306 175.779 -1.473 18229 8624 1 14 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.429 -0.929 18229 8625 1 14 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.405 -0.258 18229 8626 1 14 . 1 1 18 18 ILE H H 18 8.672 8.672 8.409 0.263 18229 8627 1 14 . 1 1 19 19 ASN N N 19 127.575 127.575 124.911 2.664 18229 8628 1 14 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.802 0.260 18229 8629 1 14 . 1 1 19 19 ASN C C 19 174.730 174.730 174.627 0.103 18229 8630 1 14 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.397 -0.668 18229 8631 1 14 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.898 -0.402 18229 8632 1 14 . 1 1 19 19 ASN H H 19 9.350 9.350 9.065 0.285 18229 8633 1 14 . 1 1 20 20 GLU N N 20 121.547 121.547 123.651 -2.104 18229 8634 1 14 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.084 0.593 18229 8635 1 14 . 1 1 20 20 GLU C C 20 176.091 176.091 175.844 0.247 18229 8636 1 14 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.457 -1.655 18229 8637 1 14 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.745 0.927 18229 8638 1 14 . 1 1 20 20 GLU H H 20 9.037 9.037 8.124 0.913 18229 8639 1 14 . 1 1 21 21 ASP N N 21 121.086 121.086 117.431 3.655 18229 8640 1 14 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.561 0.068 18229 8641 1 14 . 1 1 21 21 ASP C C 21 175.651 175.651 175.864 -0.213 18229 8642 1 14 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.373 1.126 18229 8643 1 14 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.807 -0.257 18229 8644 1 14 . 1 1 21 21 ASP H H 21 8.706 8.706 8.198 0.508 18229 8645 1 14 . 1 1 22 22 VAL N N 22 113.108 113.108 118.435 -5.327 18229 8646 1 14 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.328 -0.012 18229 8647 1 14 . 1 1 22 22 VAL C C 22 173.407 173.407 174.518 -1.111 18229 8648 1 14 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.657 -0.504 18229 8649 1 14 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.716 0.313 18229 8650 1 14 . 1 1 22 22 VAL H H 22 6.819 6.819 7.259 -0.440 18229 8651 1 14 . 1 1 23 23 SER N N 23 115.009 115.009 115.007 0.002 18229 8652 1 14 . 1 1 23 23 SER HA H 23 4.735 4.735 4.533 0.202 18229 8653 1 14 . 1 1 23 23 SER CA C 23 53.848 53.848 56.987 -3.139 18229 8654 1 14 . 1 1 23 23 SER CB C 23 64.810 64.810 64.274 0.536 18229 8655 1 14 . 1 1 23 23 SER H H 23 8.032 8.032 8.173 -0.141 18229 8656 1 14 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.320 0.464 18229 8657 1 14 . 1 1 24 24 PRO C C 24 174.825 174.825 175.726 -0.901 18229 8658 1 14 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.374 0.474 18229 8659 1 14 . 1 1 24 24 PRO CB C 24 34.801 34.801 31.844 2.957 18229 8660 1 14 . 1 1 25 25 ALA N N 25 120.477 120.477 122.135 -1.658 18229 8661 1 14 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.220 0.295 18229 8662 1 14 . 1 1 25 25 ALA C C 25 175.878 175.878 176.915 -1.037 18229 8663 1 14 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.503 0.105 18229 8664 1 14 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.348 0.106 18229 8665 1 14 . 1 1 25 25 ALA H H 25 8.013 8.013 8.186 -0.173 18229 8666 1 14 . 1 1 26 26 GLU N N 26 115.417 115.417 114.989 0.428 18229 8667 1 14 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.150 -0.079 18229 8668 1 14 . 1 1 26 26 GLU C C 26 174.599 174.599 174.447 0.152 18229 8669 1 14 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.593 -1.606 18229 8670 1 14 . 1 1 26 26 GLU CB C 26 34.265 34.265 34.842 -0.577 18229 8671 1 14 . 1 1 26 26 GLU H H 26 7.821 7.821 7.951 -0.130 18229 8672 1 14 . 1 1 27 27 LEU N N 27 124.622 124.622 123.881 0.741 18229 8673 1 14 . 1 1 27 27 LEU HA H 27 5.038 5.038 4.787 0.251 18229 8674 1 14 . 1 1 27 27 LEU C C 27 174.704 174.704 174.664 0.040 18229 8675 1 14 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.552 0.205 18229 8676 1 14 . 1 1 27 27 LEU CB C 27 45.646 45.646 45.430 0.216 18229 8677 1 14 . 1 1 27 27 LEU H H 27 8.863 8.863 9.208 -0.345 18229 8678 1 14 . 1 1 28 28 THR N N 28 121.755 121.755 120.829 0.926 18229 8679 1 14 . 1 1 28 28 THR HA H 28 5.152 5.152 4.951 0.201 18229 8680 1 14 . 1 1 28 28 THR C C 28 172.573 172.573 173.099 -0.526 18229 8681 1 14 . 1 1 28 28 THR CA C 28 61.452 61.452 62.118 -0.666 18229 8682 1 14 . 1 1 28 28 THR CB C 28 71.480 71.480 69.910 1.570 18229 8683 1 14 . 1 1 28 28 THR H H 28 9.276 9.276 8.127 1.149 18229 8684 1 14 . 1 1 29 29 TRP N N 29 128.764 128.764 130.904 -2.140 18229 8685 1 14 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.181 0.267 18229 8686 1 14 . 1 1 29 29 TRP C C 29 173.881 173.881 174.270 -0.389 18229 8687 1 14 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.273 -0.483 18229 8688 1 14 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.054 1.276 18229 8689 1 14 . 1 1 29 29 TRP H H 29 9.383 9.383 9.620 -0.237 18229 8690 1 14 . 1 1 30 30 ARG N N 30 126.417 126.417 129.814 -3.397 18229 8691 1 14 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.550 0.257 18229 8692 1 14 . 1 1 30 30 ARG C C 30 174.712 174.712 175.262 -0.550 18229 8693 1 14 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.990 -0.522 18229 8694 1 14 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.777 0.041 18229 8695 1 14 . 1 1 30 30 ARG H H 30 7.579 7.579 9.118 -1.539 18229 8696 1 14 . 1 1 31 31 SER N N 31 118.415 118.415 120.527 -2.112 18229 8697 1 14 . 1 1 31 31 SER HA H 31 4.480 4.480 3.663 0.817 18229 8698 1 14 . 1 1 31 31 SER C C 31 176.360 176.360 175.219 1.141 18229 8699 1 14 . 1 1 31 31 SER CA C 31 58.070 58.070 60.420 -2.350 18229 8700 1 14 . 1 1 31 31 SER CB C 31 64.272 64.272 64.004 0.268 18229 8701 1 14 . 1 1 31 31 SER H H 31 8.078 8.078 8.520 -0.442 18229 8702 1 14 . 1 1 32 32 THR N N 32 119.175 119.175 120.839 -1.664 18229 8703 1 14 . 1 1 32 32 THR HA H 32 3.847 3.847 4.166 -0.319 18229 8704 1 14 . 1 1 32 32 THR C C 32 175.602 175.602 175.373 0.229 18229 8705 1 14 . 1 1 32 32 THR CA C 32 66.265 66.265 65.742 0.523 18229 8706 1 14 . 1 1 32 32 THR CB C 32 68.557 68.557 69.081 -0.524 18229 8707 1 14 . 1 1 32 32 THR H H 32 8.520 8.520 8.465 0.055 18229 8708 1 14 . 1 1 33 33 ASP N N 33 117.286 117.286 120.625 -3.339 18229 8709 1 14 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.624 -0.007 18229 8710 1 14 . 1 1 33 33 ASP C C 33 177.056 177.056 176.554 0.502 18229 8711 1 14 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.204 0.021 18229 8712 1 14 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.239 -0.361 18229 8713 1 14 . 1 1 33 33 ASP H H 33 8.223 8.223 8.006 0.217 18229 8714 1 14 . 1 1 34 34 GLY N N 34 109.197 109.197 105.815 3.382 18229 8715 1 14 . 1 1 34 34 GLY C C 34 173.762 173.762 174.251 -0.489 18229 8716 1 14 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.387 0.012 18229 8717 1 14 . 1 1 34 34 GLY H H 34 7.914 7.914 8.305 -0.391 18229 8718 1 14 . 1 1 35 35 ASP N N 35 118.081 118.081 118.731 -0.650 18229 8719 1 14 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.660 -0.141 18229 8720 1 14 . 1 1 35 35 ASP C C 35 175.366 175.366 175.819 -0.453 18229 8721 1 14 . 1 1 35 35 ASP CA C 35 54.860 54.860 54.730 0.130 18229 8722 1 14 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.429 -0.456 18229 8723 1 14 . 1 1 35 35 ASP H H 35 8.238 8.238 8.328 -0.090 18229 8724 1 14 . 1 1 36 36 LYS N N 36 120.362 120.362 116.643 3.719 18229 8725 1 14 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.416 0.418 18229 8726 1 14 . 1 1 36 36 LYS C C 36 174.568 174.568 173.595 0.973 18229 8727 1 14 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.436 0.100 18229 8728 1 14 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.111 0.668 18229 8729 1 14 . 1 1 36 36 LYS H H 36 7.749 7.749 7.755 -0.006 18229 8730 1 14 . 1 1 37 37 VAL N N 37 121.758 121.758 119.538 2.220 18229 8731 1 14 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.190 0.081 18229 8732 1 14 . 1 1 37 37 VAL C C 37 175.209 175.209 173.917 1.292 18229 8733 1 14 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.377 -0.113 18229 8734 1 14 . 1 1 37 37 VAL CB C 37 35.983 35.983 34.894 1.089 18229 8735 1 14 . 1 1 37 37 VAL H H 37 8.526 8.526 8.300 0.226 18229 8736 1 14 . 1 1 38 38 HIS N N 38 126.087 126.087 125.804 0.283 18229 8737 1 14 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.988 0.033 18229 8738 1 14 . 1 1 38 38 HIS C C 38 173.116 173.116 174.158 -1.042 18229 8739 1 14 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.733 1.075 18229 8740 1 14 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.805 0.178 18229 8741 1 14 . 1 1 38 38 HIS H H 38 9.633 9.633 9.537 0.096 18229 8742 1 14 . 1 1 39 39 THR N N 39 124.455 124.455 120.079 4.376 18229 8743 1 14 . 1 1 39 39 THR HA H 39 5.155 5.155 5.259 -0.104 18229 8744 1 14 . 1 1 39 39 THR C C 39 173.102 173.102 173.464 -0.362 18229 8745 1 14 . 1 1 39 39 THR CA C 39 61.637 61.637 61.707 -0.070 18229 8746 1 14 . 1 1 39 39 THR CB C 39 70.716 70.716 70.017 0.699 18229 8747 1 14 . 1 1 39 39 THR H H 39 8.415 8.415 8.615 -0.200 18229 8748 1 14 . 1 1 40 40 VAL N N 40 126.066 126.066 123.765 2.301 18229 8749 1 14 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.144 -0.191 18229 8750 1 14 . 1 1 40 40 VAL C C 40 174.693 174.693 173.899 0.794 18229 8751 1 14 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.531 -0.183 18229 8752 1 14 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.967 -1.693 18229 8753 1 14 . 1 1 40 40 VAL H H 40 9.387 9.387 9.151 0.236 18229 8754 1 14 . 1 1 41 41 VAL N N 41 129.775 129.775 128.574 1.201 18229 8755 1 14 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.385 -0.397 18229 8756 1 14 . 1 1 41 41 VAL C C 41 179.424 179.424 176.541 2.883 18229 8757 1 14 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.890 2.854 18229 8758 1 14 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.672 0.279 18229 8759 1 14 . 1 1 41 41 VAL H H 41 9.021 9.021 8.840 0.181 18229 8760 1 14 . 1 1 42 42 LEU N N 42 129.645 129.645 128.338 1.307 18229 8761 1 14 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.075 -0.102 18229 8762 1 14 . 1 1 42 42 LEU C C 42 176.259 176.259 177.948 -1.689 18229 8763 1 14 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.561 1.082 18229 8764 1 14 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.174 -0.346 18229 8765 1 14 . 1 1 42 42 LEU H H 42 9.147 9.147 8.614 0.533 18229 8766 1 14 . 1 1 43 43 SER N N 43 110.158 110.158 112.138 -1.980 18229 8767 1 14 . 1 1 43 43 SER HA H 43 4.310 4.310 4.284 0.026 18229 8768 1 14 . 1 1 43 43 SER C C 43 175.263 175.263 175.896 -0.633 18229 8769 1 14 . 1 1 43 43 SER CA C 43 59.620 59.620 60.821 -1.201 18229 8770 1 14 . 1 1 43 43 SER CB C 43 61.543 61.543 63.514 -1.971 18229 8771 1 14 . 1 1 43 43 SER H H 43 7.006 7.006 8.394 -1.388 18229 8772 1 14 . 1 1 44 44 THR N N 44 110.206 110.206 113.866 -3.660 18229 8773 1 14 . 1 1 44 44 THR HA H 44 4.504 4.504 4.183 0.321 18229 8774 1 14 . 1 1 44 44 THR C C 44 173.489 173.489 175.911 -2.422 18229 8775 1 14 . 1 1 44 44 THR CA C 44 62.024 62.024 64.260 -2.236 18229 8776 1 14 . 1 1 44 44 THR CB C 44 69.805 69.805 69.014 0.790 18229 8777 1 14 . 1 1 44 44 THR H H 44 7.571 7.571 7.793 -0.222 18229 8778 1 14 . 1 1 45 45 ILE N N 45 120.322 120.322 123.975 -3.653 18229 8779 1 14 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.249 0.018 18229 8780 1 14 . 1 1 45 45 ILE C C 45 174.103 174.103 176.245 -2.142 18229 8781 1 14 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.662 -3.692 18229 8782 1 14 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.808 0.752 18229 8783 1 14 . 1 1 45 45 ILE H H 45 6.975 6.975 8.059 -1.084 18229 8784 1 14 . 1 1 46 46 ASP N N 46 126.492 126.492 128.076 -1.584 18229 8785 1 14 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.407 0.304 18229 8786 1 14 . 1 1 46 46 ASP C C 46 175.431 175.431 175.390 0.041 18229 8787 1 14 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.233 -1.400 18229 8788 1 14 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.919 2.616 18229 8789 1 14 . 1 1 46 46 ASP H H 46 9.262 9.262 8.845 0.417 18229 8790 1 14 . 1 1 47 47 LYS N N 47 112.726 112.726 112.081 0.645 18229 8791 1 14 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.459 0.248 18229 8792 1 14 . 1 1 47 47 LYS C C 47 172.673 172.673 174.144 -1.471 18229 8793 1 14 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.252 -0.430 18229 8794 1 14 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.106 2.503 18229 8795 1 14 . 1 1 47 47 LYS H H 47 7.572 7.572 7.383 0.189 18229 8796 1 14 . 1 1 48 48 LEU N N 48 124.840 124.840 122.216 2.624 18229 8797 1 14 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.906 0.145 18229 8798 1 14 . 1 1 48 48 LEU C C 48 173.965 173.965 176.059 -2.094 18229 8799 1 14 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.349 -1.329 18229 8800 1 14 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.430 2.134 18229 8801 1 14 . 1 1 48 48 LEU H H 48 9.013 9.013 8.589 0.424 18229 8802 1 14 . 1 1 49 49 GLN N N 49 121.648 121.648 126.202 -4.554 18229 8803 1 14 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.743 0.775 18229 8804 1 14 . 1 1 49 49 GLN C C 49 174.700 174.700 173.816 0.884 18229 8805 1 14 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.208 -0.609 18229 8806 1 14 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.675 1.351 18229 8807 1 14 . 1 1 49 49 GLN H H 49 9.260 9.260 9.408 -0.148 18229 8808 1 14 . 1 1 50 50 ALA N N 50 122.020 122.020 125.445 -3.425 18229 8809 1 14 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.026 0.721 18229 8810 1 14 . 1 1 50 50 ALA C C 50 177.167 177.167 176.012 1.155 18229 8811 1 14 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.078 -0.486 18229 8812 1 14 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.137 2.225 18229 8813 1 14 . 1 1 50 50 ALA H H 50 9.286 9.286 8.272 1.014 18229 8814 1 14 . 1 1 51 51 THR N N 51 114.222 114.222 115.425 -1.203 18229 8815 1 14 . 1 1 51 51 THR HA H 51 4.735 4.735 4.300 0.435 18229 8816 1 14 . 1 1 51 51 THR CA C 51 59.228 59.228 61.525 -2.297 18229 8817 1 14 . 1 1 51 51 THR CB C 51 67.954 67.954 68.100 -0.146 18229 8818 1 14 . 1 1 51 51 THR H H 51 8.340 8.340 8.932 -0.592 18229 8819 1 14 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.455 0.115 18229 8820 1 14 . 1 1 52 52 PRO C C 52 178.621 178.621 177.423 1.198 18229 8821 1 14 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.425 0.003 18229 8822 1 14 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.715 0.004 18229 8823 1 14 . 1 1 53 53 ALA N N 53 126.566 126.566 123.398 3.168 18229 8824 1 14 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.132 -0.077 18229 8825 1 14 . 1 1 53 53 ALA C C 53 177.578 177.578 178.699 -1.121 18229 8826 1 14 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.452 0.368 18229 8827 1 14 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.746 -0.889 18229 8828 1 14 . 1 1 53 53 ALA H H 53 9.109 9.109 8.473 0.636 18229 8829 1 14 . 1 1 54 54 SER N N 54 107.184 107.184 111.965 -4.781 18229 8830 1 14 . 1 1 54 54 SER HA H 54 4.235 4.235 4.316 -0.081 18229 8831 1 14 . 1 1 54 54 SER C C 54 174.838 174.838 174.572 0.266 18229 8832 1 14 . 1 1 54 54 SER CA C 54 58.116 58.116 59.058 -0.942 18229 8833 1 14 . 1 1 54 54 SER CB C 54 63.021 63.021 63.241 -0.220 18229 8834 1 14 . 1 1 54 54 SER H H 54 7.595 7.595 8.172 -0.577 18229 8835 1 14 . 1 1 55 55 SER N N 55 117.098 117.098 117.648 -0.550 18229 8836 1 14 . 1 1 55 55 SER HA H 55 4.484 4.484 4.507 -0.023 18229 8837 1 14 . 1 1 55 55 SER C C 55 174.833 174.833 173.627 1.206 18229 8838 1 14 . 1 1 55 55 SER CA C 55 57.510 57.510 58.042 -0.532 18229 8839 1 14 . 1 1 55 55 SER CB C 55 64.121 64.121 63.957 0.164 18229 8840 1 14 . 1 1 55 55 SER H H 55 7.613 7.613 7.403 0.210 18229 8841 1 14 . 1 1 56 56 GLU N N 56 125.258 125.258 124.816 0.442 18229 8842 1 14 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.027 0.102 18229 8843 1 14 . 1 1 56 56 GLU C C 56 177.852 177.852 176.180 1.672 18229 8844 1 14 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.061 -0.449 18229 8845 1 14 . 1 1 56 56 GLU CB C 56 29.424 29.424 30.009 -0.585 18229 8846 1 14 . 1 1 56 56 GLU H H 56 8.849 8.849 8.774 0.075 18229 8847 1 14 . 1 1 57 57 LYS N N 57 119.058 119.058 118.556 0.502 18229 8848 1 14 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.281 0.018 18229 8849 1 14 . 1 1 57 57 LYS C C 57 175.699 175.699 175.712 -0.013 18229 8850 1 14 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.471 0.174 18229 8851 1 14 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.332 0.938 18229 8852 1 14 . 1 1 57 57 LYS H H 57 8.060 8.060 7.844 0.216 18229 8853 1 14 . 1 1 58 58 MET N N 58 123.967 123.967 121.519 2.448 18229 8854 1 14 . 1 1 58 58 MET HA H 58 4.345 4.345 4.979 -0.634 18229 8855 1 14 . 1 1 58 58 MET C C 58 174.213 174.213 174.810 -0.597 18229 8856 1 14 . 1 1 58 58 MET CA C 58 55.170 55.170 53.683 1.487 18229 8857 1 14 . 1 1 58 58 MET CB C 58 35.330 35.330 32.227 3.103 18229 8858 1 14 . 1 1 58 58 MET H H 58 8.828 8.828 8.539 0.289 18229 8859 1 14 . 1 1 59 59 MET N N 59 120.929 120.929 121.825 -0.896 18229 8860 1 14 . 1 1 59 59 MET HA H 59 5.905 5.905 5.414 0.491 18229 8861 1 14 . 1 1 59 59 MET C C 59 174.521 174.521 174.012 0.509 18229 8862 1 14 . 1 1 59 59 MET CA C 59 55.038 55.038 55.604 -0.566 18229 8863 1 14 . 1 1 59 59 MET CB C 59 39.549 39.549 37.966 1.583 18229 8864 1 14 . 1 1 59 59 MET H H 59 8.528 8.528 9.378 -0.850 18229 8865 1 14 . 1 1 60 60 LEU N N 60 117.623 117.623 120.618 -2.995 18229 8866 1 14 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.257 0.408 18229 8867 1 14 . 1 1 60 60 LEU C C 60 175.763 175.763 175.314 0.449 18229 8868 1 14 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.759 -0.574 18229 8869 1 14 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.681 1.880 18229 8870 1 14 . 1 1 60 60 LEU H H 60 9.052 9.052 9.778 -0.726 18229 8871 1 14 . 1 1 61 61 ARG N N 61 120.407 120.407 121.023 -0.616 18229 8872 1 14 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.632 -0.161 18229 8873 1 14 . 1 1 61 61 ARG C C 61 173.286 173.286 173.777 -0.491 18229 8874 1 14 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.966 -0.035 18229 8875 1 14 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.361 -0.026 18229 8876 1 14 . 1 1 61 61 ARG H H 61 9.180 9.180 9.556 -0.376 18229 8877 1 14 . 1 1 62 62 LEU N N 62 126.471 126.471 126.264 0.207 18229 8878 1 14 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.217 -0.019 18229 8879 1 14 . 1 1 62 62 LEU C C 62 175.447 175.447 176.095 -0.648 18229 8880 1 14 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.245 0.163 18229 8881 1 14 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.545 -1.112 18229 8882 1 14 . 1 1 62 62 LEU H H 62 9.203 9.203 9.365 -0.162 18229 8883 1 14 . 1 1 63 63 ILE N N 63 123.282 123.282 123.893 -0.611 18229 8884 1 14 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.185 0.512 18229 8885 1 14 . 1 1 63 63 ILE C C 63 176.525 176.525 176.178 0.347 18229 8886 1 14 . 1 1 63 63 ILE CA C 63 59.676 59.676 60.302 -0.626 18229 8887 1 14 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.637 0.068 18229 8888 1 14 . 1 1 63 63 ILE H H 63 8.983 8.983 8.652 0.331 18229 8889 1 14 . 1 1 64 64 GLY N N 64 115.647 115.647 110.409 5.238 18229 8890 1 14 . 1 1 64 64 GLY C C 64 172.300 172.300 173.111 -0.811 18229 8891 1 14 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.708 1.954 18229 8892 1 14 . 1 1 64 64 GLY H H 64 9.372 9.372 8.358 1.014 18229 8893 1 14 . 1 1 65 65 LYS N N 65 119.107 119.107 125.696 -6.589 18229 8894 1 14 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.262 0.044 18229 8895 1 14 . 1 1 65 65 LYS C C 65 177.404 177.404 176.405 0.999 18229 8896 1 14 . 1 1 65 65 LYS CA C 65 56.501 56.501 56.839 -0.338 18229 8897 1 14 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.707 1.711 18229 8898 1 14 . 1 1 65 65 LYS H H 65 8.289 8.289 8.048 0.241 18229 8899 1 14 . 1 1 66 66 VAL N N 66 122.231 122.231 124.305 -2.074 18229 8900 1 14 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.151 -0.072 18229 8901 1 14 . 1 1 66 66 VAL C C 66 175.253 175.253 175.235 0.018 18229 8902 1 14 . 1 1 66 66 VAL CA C 66 62.136 62.136 60.830 1.306 18229 8903 1 14 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.888 -0.604 18229 8904 1 14 . 1 1 66 66 VAL H H 66 8.607 8.607 8.404 0.203 18229 8905 1 14 . 1 1 67 67 ASP N N 67 125.538 125.538 125.282 0.256 18229 8906 1 14 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.887 -0.188 18229 8907 1 14 . 1 1 67 67 ASP C C 67 176.601 176.601 175.987 0.614 18229 8908 1 14 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.832 -0.774 18229 8909 1 14 . 1 1 67 67 ASP CB C 67 40.872 40.872 41.202 -0.329 18229 8910 1 14 . 1 1 67 67 ASP H H 67 8.457 8.457 8.552 -0.095 18229 8911 1 14 . 1 1 68 68 GLU N N 68 124.433 124.433 118.400 6.033 18229 8912 1 14 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.171 -0.047 18229 8913 1 14 . 1 1 68 68 GLU C C 68 177.344 177.344 176.771 0.573 18229 8914 1 14 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.132 -0.497 18229 8915 1 14 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.556 0.124 18229 8916 1 14 . 1 1 68 68 GLU H H 68 8.712 8.712 8.500 0.212 18229 8917 1 14 . 1 1 69 69 SER N N 69 115.596 115.596 113.321 2.275 18229 8918 1 14 . 1 1 69 69 SER HA H 69 4.328 4.328 4.568 -0.240 18229 8919 1 14 . 1 1 69 69 SER C C 69 175.180 175.180 173.872 1.308 18229 8920 1 14 . 1 1 69 69 SER CA C 69 60.146 60.146 58.177 1.969 18229 8921 1 14 . 1 1 69 69 SER CB C 69 63.383 63.383 63.246 0.137 18229 8922 1 14 . 1 1 69 69 SER H H 69 8.467 8.467 8.012 0.455 18229 8923 1 14 . 1 1 70 70 LYS N N 70 121.738 121.738 121.674 0.064 18229 8924 1 14 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.512 -0.106 18229 8925 1 14 . 1 1 70 70 LYS C C 70 176.165 176.165 175.757 0.408 18229 8926 1 14 . 1 1 70 70 LYS CA C 70 55.410 55.410 55.989 -0.578 18229 8927 1 14 . 1 1 70 70 LYS CB C 70 32.500 32.500 34.120 -1.620 18229 8928 1 14 . 1 1 70 70 LYS H H 70 7.675 7.675 7.561 0.114 18229 8929 1 14 . 1 1 71 71 LYS N N 71 121.087 121.087 118.053 3.034 18229 8930 1 14 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.018 0.390 18229 8931 1 14 . 1 1 71 71 LYS C C 71 176.134 176.134 175.205 0.929 18229 8932 1 14 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.185 -0.580 18229 8933 1 14 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.012 2.271 18229 8934 1 14 . 1 1 71 71 LYS H H 71 7.739 7.739 8.166 -0.427 18229 8935 1 14 . 1 1 72 72 ARG N N 72 122.147 122.147 122.444 -0.297 18229 8936 1 14 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.642 -0.058 18229 8937 1 14 . 1 1 72 72 ARG C C 72 175.217 175.217 175.762 -0.545 18229 8938 1 14 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.202 0.839 18229 8939 1 14 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.161 0.193 18229 8940 1 14 . 1 1 72 72 ARG H H 72 8.402 8.402 8.834 -0.432 18229 8941 1 14 . 1 1 73 73 LYS N N 73 121.242 121.242 125.567 -4.325 18229 8942 1 14 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.719 0.180 18229 8943 1 14 . 1 1 73 73 LYS C C 73 176.966 176.966 176.046 0.920 18229 8944 1 14 . 1 1 73 73 LYS CA C 73 55.365 55.365 55.725 -0.360 18229 8945 1 14 . 1 1 73 73 LYS CB C 73 34.631 34.631 33.619 1.012 18229 8946 1 14 . 1 1 73 73 LYS H H 73 8.386 8.386 8.615 -0.229 18229 8947 1 14 . 1 1 74 74 ASP N N 74 122.007 122.007 120.710 1.297 18229 8948 1 14 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.774 -0.123 18229 8949 1 14 . 1 1 74 74 ASP C C 74 177.401 177.401 177.086 0.315 18229 8950 1 14 . 1 1 74 74 ASP CA C 74 52.840 52.840 52.236 0.604 18229 8951 1 14 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.128 -0.120 18229 8952 1 14 . 1 1 74 74 ASP H H 74 8.559 8.559 8.101 0.458 18229 8953 1 14 . 1 1 75 75 ASN N N 75 116.263 116.263 116.261 0.002 18229 8954 1 14 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.518 0.017 18229 8955 1 14 . 1 1 75 75 ASN C C 75 175.944 175.944 175.706 0.238 18229 8956 1 14 . 1 1 75 75 ASN CA C 75 54.877 54.877 55.032 -0.155 18229 8957 1 14 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.760 -0.650 18229 8958 1 14 . 1 1 75 75 ASN H H 75 8.414 8.414 8.539 -0.125 18229 8959 1 14 . 1 1 76 76 GLU N N 76 118.940 118.940 117.446 1.494 18229 8960 1 14 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.441 -0.048 18229 8961 1 14 . 1 1 76 76 GLU C C 76 176.512 176.512 175.888 0.624 18229 8962 1 14 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.476 0.690 18229 8963 1 14 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.784 0.226 18229 8964 1 14 . 1 1 76 76 GLU H H 76 8.133 8.133 7.946 0.187 18229 8965 1 14 . 1 1 77 77 GLY N N 77 108.056 108.056 108.248 -0.192 18229 8966 1 14 . 1 1 77 77 GLY C C 77 174.193 174.193 174.310 -0.117 18229 8967 1 14 . 1 1 77 77 GLY CA C 77 45.287 45.287 46.044 -0.757 18229 8968 1 14 . 1 1 77 77 GLY H H 77 8.083 8.083 8.050 0.033 18229 8969 1 14 . 1 1 78 78 ASN N N 78 119.896 119.896 119.167 0.729 18229 8970 1 14 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.671 0.071 18229 8971 1 14 . 1 1 78 78 ASN C C 78 175.006 175.006 174.487 0.519 18229 8972 1 14 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.690 0.137 18229 8973 1 14 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.239 -0.243 18229 8974 1 14 . 1 1 78 78 ASN H H 78 8.537 8.537 9.062 -0.525 18229 8975 1 14 . 1 1 79 79 GLU N N 79 121.648 121.648 126.093 -4.445 18229 8976 1 14 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.264 0.207 18229 8977 1 14 . 1 1 79 79 GLU C C 79 176.268 176.268 175.616 0.652 18229 8978 1 14 . 1 1 79 79 GLU CA C 79 56.610 56.610 56.589 0.021 18229 8979 1 14 . 1 1 79 79 GLU CB C 79 30.307 30.307 29.797 0.510 18229 8980 1 14 . 1 1 79 79 GLU H H 79 8.674 8.674 8.746 -0.072 18229 8981 1 14 . 1 1 80 80 VAL N N 80 124.083 124.083 128.459 -4.376 18229 8982 1 14 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.305 -0.057 18229 8983 1 14 . 1 1 80 80 VAL C C 80 175.537 175.537 174.532 1.005 18229 8984 1 14 . 1 1 80 80 VAL CA C 80 61.465 61.465 60.971 0.494 18229 8985 1 14 . 1 1 80 80 VAL CB C 80 33.553 33.553 33.510 0.043 18229 8986 1 14 . 1 1 80 80 VAL H H 80 8.554 8.554 9.080 -0.526 18229 8987 1 14 . 1 1 81 81 VAL N N 81 126.640 126.640 128.798 -2.158 18229 8988 1 14 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.470 -0.043 18229 8989 1 14 . 1 1 81 81 VAL CA C 81 59.605 59.605 58.607 0.998 18229 8990 1 14 . 1 1 81 81 VAL CB C 81 32.876 32.876 32.906 -0.030 18229 8991 1 14 . 1 1 81 81 VAL H H 81 8.390 8.390 8.584 -0.194 18229 8992 1 14 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.309 0.118 18229 8993 1 14 . 1 1 82 82 PRO C C 82 176.034 176.034 175.494 0.540 18229 8994 1 14 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.569 -0.859 18229 8995 1 14 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.208 0.144 18229 8996 1 14 . 1 1 83 83 LYS N N 83 121.719 121.719 119.979 1.740 18229 8997 1 14 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.617 -0.069 18229 8998 1 14 . 1 1 83 83 LYS CA C 83 53.856 53.856 53.255 0.601 18229 8999 1 14 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.742 -0.412 18229 9000 1 14 . 1 1 83 83 LYS H H 83 8.308 8.308 7.996 0.312 18229 9001 1 14 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.656 -0.360 18229 9002 1 14 . 1 1 84 84 PRO C C 84 176.773 176.773 175.848 0.925 18229 9003 1 14 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.417 0.139 18229 9004 1 14 . 1 1 84 84 PRO CB C 84 32.618 32.618 30.634 1.984 18229 9005 1 14 . 1 1 85 85 GLN N N 85 121.395 121.395 123.500 -2.105 18229 9006 1 14 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.299 -0.158 18229 9007 1 14 . 1 1 85 85 GLN C C 85 174.940 174.940 174.989 -0.049 18229 9008 1 14 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.101 0.961 18229 9009 1 14 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.183 0.547 18229 9010 1 14 . 1 1 85 85 GLN H H 85 8.464 8.464 8.056 0.408 18229 9011 1 14 . 1 1 86 86 ARG N N 86 121.035 121.035 124.969 -3.934 18229 9012 1 14 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.754 0.373 18229 9013 1 14 . 1 1 86 86 ARG C C 86 175.052 175.052 175.754 -0.702 18229 9014 1 14 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.528 0.006 18229 9015 1 14 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.347 0.986 18229 9016 1 14 . 1 1 86 86 ARG H H 86 8.248 8.248 8.424 -0.176 18229 9017 1 14 . 1 1 87 87 HIS N N 87 120.780 120.780 122.493 -1.713 18229 9018 1 14 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.427 0.255 18229 9019 1 14 . 1 1 87 87 HIS C C 87 173.558 173.558 173.224 0.334 18229 9020 1 14 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.508 -0.316 18229 9021 1 14 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.384 2.670 18229 9022 1 14 . 1 1 87 87 HIS H H 87 8.659 8.659 9.082 -0.423 18229 9023 1 14 . 1 1 88 88 MET N N 88 126.780 126.780 123.277 3.503 18229 9024 1 14 . 1 1 88 88 MET HA H 88 5.283 5.283 4.588 0.696 18229 9025 1 14 . 1 1 88 88 MET C C 88 173.297 173.297 173.196 0.101 18229 9026 1 14 . 1 1 88 88 MET CA C 88 54.835 54.835 54.290 0.545 18229 9027 1 14 . 1 1 88 88 MET CB C 88 35.794 35.794 34.929 0.865 18229 9028 1 14 . 1 1 88 88 MET H H 88 8.710 8.710 7.992 0.718 18229 9029 1 14 . 1 1 89 89 PHE N N 89 122.543 122.543 122.532 0.011 18229 9030 1 14 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.232 -0.037 18229 9031 1 14 . 1 1 89 89 PHE C C 89 174.410 174.410 174.802 -0.392 18229 9032 1 14 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.618 0.761 18229 9033 1 14 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.275 2.914 18229 9034 1 14 . 1 1 89 89 PHE H H 89 8.969 8.969 9.465 -0.496 18229 9035 1 14 . 1 1 90 90 SER N N 90 116.192 116.192 119.637 -3.445 18229 9036 1 14 . 1 1 90 90 SER HA H 90 5.696 5.696 4.824 0.872 18229 9037 1 14 . 1 1 90 90 SER C C 90 173.030 173.030 173.834 -0.804 18229 9038 1 14 . 1 1 90 90 SER CA C 90 56.771 56.771 58.489 -1.718 18229 9039 1 14 . 1 1 90 90 SER CB C 90 64.961 64.961 63.644 1.317 18229 9040 1 14 . 1 1 90 90 SER H H 90 8.657 8.657 8.543 0.114 18229 9041 1 14 . 1 1 91 91 PHE N N 91 120.710 120.710 125.161 -4.451 18229 9042 1 14 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.815 0.072 18229 9043 1 14 . 1 1 91 91 PHE C C 91 174.442 174.442 176.575 -2.133 18229 9044 1 14 . 1 1 91 91 PHE CA C 91 57.425 57.425 57.636 -0.211 18229 9045 1 14 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.537 2.855 18229 9046 1 14 . 1 1 91 91 PHE H H 91 9.001 9.001 8.596 0.405 18229 9047 1 14 . 1 1 92 92 ASN N N 92 115.967 115.967 123.940 -7.973 18229 9048 1 14 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.861 0.246 18229 9049 1 14 . 1 1 92 92 ASN C C 92 174.835 174.835 174.261 0.574 18229 9050 1 14 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.817 -0.566 18229 9051 1 14 . 1 1 92 92 ASN CB C 92 39.889 39.889 37.997 1.892 18229 9052 1 14 . 1 1 92 92 ASN H H 92 9.093 9.093 8.942 0.151 18229 9053 1 14 . 1 1 93 93 ASN N N 93 118.401 118.401 116.375 2.026 18229 9054 1 14 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.791 0.131 18229 9055 1 14 . 1 1 93 93 ASN C C 93 174.524 174.524 174.504 0.020 18229 9056 1 14 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.874 -0.861 18229 9057 1 14 . 1 1 93 93 ASN CB C 93 41.761 41.761 39.765 1.996 18229 9058 1 14 . 1 1 93 93 ASN H H 93 7.252 7.252 7.485 -0.233 18229 9059 1 14 . 1 1 94 94 ARG N N 94 129.175 129.175 125.156 4.019 18229 9060 1 14 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.025 -0.160 18229 9061 1 14 . 1 1 94 94 ARG C C 94 176.797 176.797 177.396 -0.599 18229 9062 1 14 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.175 0.308 18229 9063 1 14 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.269 -0.140 18229 9064 1 14 . 1 1 94 94 ARG H H 94 9.309 9.309 8.842 0.467 18229 9065 1 14 . 1 1 95 95 THR N N 95 115.594 115.594 113.512 2.082 18229 9066 1 14 . 1 1 95 95 THR HA H 95 4.021 4.021 4.120 -0.099 18229 9067 1 14 . 1 1 95 95 THR C C 95 176.735 176.735 176.195 0.540 18229 9068 1 14 . 1 1 95 95 THR CA C 95 66.430 66.430 66.475 -0.045 18229 9069 1 14 . 1 1 95 95 THR CB C 95 68.357 68.357 68.620 -0.263 18229 9070 1 14 . 1 1 95 95 THR H H 95 7.973 7.973 8.159 -0.186 18229 9071 1 14 . 1 1 96 96 VAL N N 96 121.833 121.833 121.295 0.538 18229 9072 1 14 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.651 0.132 18229 9073 1 14 . 1 1 96 96 VAL C C 96 177.561 177.561 178.003 -0.442 18229 9074 1 14 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.771 -0.646 18229 9075 1 14 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.669 0.532 18229 9076 1 14 . 1 1 96 96 VAL H H 96 7.565 7.565 7.668 -0.103 18229 9077 1 14 . 1 1 97 97 MET N N 97 117.429 117.429 117.803 -0.374 18229 9078 1 14 . 1 1 97 97 MET HA H 97 4.551 4.551 3.325 1.226 18229 9079 1 14 . 1 1 97 97 MET C C 97 177.257 177.257 177.557 -0.300 18229 9080 1 14 . 1 1 97 97 MET CA C 97 59.753 59.753 58.268 1.485 18229 9081 1 14 . 1 1 97 97 MET CB C 97 32.515 32.515 31.459 1.056 18229 9082 1 14 . 1 1 97 97 MET H H 97 7.336 7.336 7.969 -0.633 18229 9083 1 14 . 1 1 98 98 ASP N N 98 118.159 118.159 119.595 -1.436 18229 9084 1 14 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.325 -0.010 18229 9085 1 14 . 1 1 98 98 ASP C C 98 178.771 178.771 178.657 0.114 18229 9086 1 14 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.245 0.359 18229 9087 1 14 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.701 -1.037 18229 9088 1 14 . 1 1 98 98 ASP H H 98 8.712 8.712 8.212 0.500 18229 9089 1 14 . 1 1 99 99 ASN N N 99 120.354 120.354 117.645 2.709 18229 9090 1 14 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.580 -0.100 18229 9091 1 14 . 1 1 99 99 ASN C C 99 178.232 178.232 176.840 1.392 18229 9092 1 14 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.359 0.941 18229 9093 1 14 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.813 -0.365 18229 9094 1 14 . 1 1 99 99 ASN H H 99 8.084 8.084 7.744 0.340 18229 9095 1 14 . 1 1 100 100 ILE N N 100 120.990 120.990 121.357 -0.367 18229 9096 1 14 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.985 -0.348 18229 9097 1 14 . 1 1 100 100 ILE C C 100 177.463 177.463 177.918 -0.455 18229 9098 1 14 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.704 -0.931 18229 9099 1 14 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.752 -2.285 18229 9100 1 14 . 1 1 100 100 ILE H H 100 8.017 8.017 8.418 -0.401 18229 9101 1 14 . 1 1 101 101 LYS N N 101 120.814 120.814 120.137 0.677 18229 9102 1 14 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.840 -0.205 18229 9103 1 14 . 1 1 101 101 LYS C C 101 177.365 177.365 178.994 -1.629 18229 9104 1 14 . 1 1 101 101 LYS CA C 101 60.636 60.636 60.148 0.488 18229 9105 1 14 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.153 0.838 18229 9106 1 14 . 1 1 101 101 LYS H H 101 8.944 8.944 8.390 0.554 18229 9107 1 14 . 1 1 102 102 MET N N 102 116.514 116.514 115.654 0.860 18229 9108 1 14 . 1 1 102 102 MET HA H 102 4.209 4.209 4.320 -0.111 18229 9109 1 14 . 1 1 102 102 MET C C 102 178.925 178.925 178.271 0.654 18229 9110 1 14 . 1 1 102 102 MET CA C 102 58.720 58.720 58.329 0.391 18229 9111 1 14 . 1 1 102 102 MET CB C 102 32.299 32.299 32.761 -0.462 18229 9112 1 14 . 1 1 102 102 MET H H 102 8.123 8.123 7.581 0.542 18229 9113 1 14 . 1 1 103 103 THR N N 103 118.583 118.583 118.150 0.433 18229 9114 1 14 . 1 1 103 103 THR HA H 103 3.882 3.882 4.101 -0.219 18229 9115 1 14 . 1 1 103 103 THR C C 103 176.474 176.474 176.373 0.101 18229 9116 1 14 . 1 1 103 103 THR CA C 103 66.489 66.489 66.560 -0.071 18229 9117 1 14 . 1 1 103 103 THR CB C 103 67.864 67.864 68.984 -1.120 18229 9118 1 14 . 1 1 103 103 THR H H 103 7.768 7.768 7.785 -0.017 18229 9119 1 14 . 1 1 104 104 LEU N N 104 119.575 119.575 121.943 -2.368 18229 9120 1 14 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.913 -0.031 18229 9121 1 14 . 1 1 104 104 LEU C C 104 177.935 177.935 178.846 -0.911 18229 9122 1 14 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.724 -0.748 18229 9123 1 14 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.520 0.802 18229 9124 1 14 . 1 1 104 104 LEU H H 104 8.537 8.537 8.822 -0.285 18229 9125 1 14 . 1 1 105 105 GLN N N 105 119.463 119.463 116.931 2.532 18229 9126 1 14 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.873 -0.164 18229 9127 1 14 . 1 1 105 105 GLN C C 105 178.507 178.507 178.743 -0.236 18229 9128 1 14 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.655 1.085 18229 9129 1 14 . 1 1 105 105 GLN CB C 105 28.639 28.639 27.843 0.796 18229 9130 1 14 . 1 1 105 105 GLN H H 105 8.736 8.736 7.725 1.011 18229 9131 1 14 . 1 1 106 106 GLN N N 106 118.984 118.984 118.034 0.950 18229 9132 1 14 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.972 0.004 18229 9133 1 14 . 1 1 106 106 GLN C C 106 178.454 178.454 178.237 0.217 18229 9134 1 14 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.744 0.274 18229 9135 1 14 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.622 -0.170 18229 9136 1 14 . 1 1 106 106 GLN H H 106 7.689 7.689 7.737 -0.048 18229 9137 1 14 . 1 1 107 107 ILE N N 107 119.928 119.928 117.643 2.285 18229 9138 1 14 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.859 -0.396 18229 9139 1 14 . 1 1 107 107 ILE C C 107 177.492 177.492 178.375 -0.883 18229 9140 1 14 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.850 1.592 18229 9141 1 14 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.390 1.105 18229 9142 1 14 . 1 1 107 107 ILE H H 107 7.910 7.910 7.271 0.639 18229 9143 1 14 . 1 1 108 108 ILE N N 108 117.958 117.958 121.429 -3.471 18229 9144 1 14 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.483 2.276 18229 9145 1 14 . 1 1 108 108 ILE C C 108 178.625 178.625 177.840 0.785 18229 9146 1 14 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.810 0.769 18229 9147 1 14 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.586 1.666 18229 9148 1 14 . 1 1 108 108 ILE H H 108 8.767 8.767 8.433 0.334 18229 9149 1 14 . 1 1 109 109 SER N N 109 113.450 113.450 114.826 -1.376 18229 9150 1 14 . 1 1 109 109 SER HA H 109 4.271 4.271 4.002 0.269 18229 9151 1 14 . 1 1 109 109 SER C C 109 175.966 175.966 176.259 -0.293 18229 9152 1 14 . 1 1 109 109 SER CA C 109 62.205 62.205 61.437 0.768 18229 9153 1 14 . 1 1 109 109 SER CB C 109 63.094 63.094 62.837 0.257 18229 9154 1 14 . 1 1 109 109 SER H H 109 7.797 7.797 8.201 -0.404 18229 9155 1 14 . 1 1 110 110 ARG N N 110 120.739 120.739 120.292 0.447 18229 9156 1 14 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.132 -0.013 18229 9157 1 14 . 1 1 110 110 ARG C C 110 179.056 179.056 179.291 -0.235 18229 9158 1 14 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.956 -0.136 18229 9159 1 14 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.258 -0.459 18229 9160 1 14 . 1 1 110 110 ARG H H 110 7.450 7.450 8.053 -0.603 18229 9161 1 14 . 1 1 111 111 TYR N N 111 117.972 117.972 119.160 -1.188 18229 9162 1 14 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.312 0.394 18229 9163 1 14 . 1 1 111 111 TYR C C 111 177.853 177.853 177.872 -0.019 18229 9164 1 14 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.221 0.392 18229 9165 1 14 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.423 -0.115 18229 9166 1 14 . 1 1 111 111 TYR H H 111 7.558 7.558 8.490 -0.932 18229 9167 1 14 . 1 1 112 112 LYS N N 112 120.615 120.615 118.490 2.125 18229 9168 1 14 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.178 0.203 18229 9169 1 14 . 1 1 112 112 LYS C C 112 177.893 177.893 177.891 0.002 18229 9170 1 14 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.575 0.014 18229 9171 1 14 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.037 0.566 18229 9172 1 14 . 1 1 112 112 LYS H H 112 8.080 8.080 7.410 0.670 18229 9173 1 14 . 1 1 113 113 ASP N N 113 120.325 120.325 120.055 0.270 18229 9174 1 14 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.477 0.167 18229 9175 1 14 . 1 1 113 113 ASP C C 113 176.950 176.950 177.234 -0.284 18229 9176 1 14 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.974 -0.711 18229 9177 1 14 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.958 -0.067 18229 9178 1 14 . 1 1 113 113 ASP H H 113 8.191 8.191 8.416 -0.225 18229 9179 1 14 . 1 1 114 114 ALA N N 114 122.906 122.906 119.677 3.229 18229 9180 1 14 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.368 -0.020 18229 9181 1 14 . 1 1 114 114 ALA C C 114 178.055 178.055 177.498 0.557 18229 9182 1 14 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.532 0.642 18229 9183 1 14 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.863 -0.763 18229 9184 1 14 . 1 1 114 114 ALA H H 114 7.900 7.900 7.638 0.262 18229 9185 1 15 . 1 1 2 2 SER N N 2 113.055 113.055 114.072 -1.017 18229 9186 1 15 . 1 1 2 2 SER HA H 2 4.418 4.418 4.440 -0.022 18229 9187 1 15 . 1 1 2 2 SER C C 2 174.994 174.994 174.632 0.362 18229 9188 1 15 . 1 1 2 2 SER CA C 2 58.540 58.540 58.167 0.373 18229 9189 1 15 . 1 1 2 2 SER CB C 2 63.748 63.748 63.985 -0.237 18229 9190 1 15 . 1 1 2 2 SER H H 2 8.061 8.061 8.117 -0.056 18229 9191 1 15 . 1 1 3 3 HIS N N 3 119.062 119.062 118.444 0.618 18229 9192 1 15 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.551 0.184 18229 9193 1 15 . 1 1 3 3 HIS C C 3 173.417 173.417 173.700 -0.283 18229 9194 1 15 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.978 -0.674 18229 9195 1 15 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.605 -0.058 18229 9196 1 15 . 1 1 3 3 HIS H H 3 8.410 8.410 8.351 0.059 18229 9197 1 15 . 1 1 4 4 SER N N 4 113.520 113.520 112.869 0.651 18229 9198 1 15 . 1 1 4 4 SER HA H 4 5.516 5.516 4.980 0.536 18229 9199 1 15 . 1 1 4 4 SER C C 4 173.602 173.602 172.794 0.808 18229 9200 1 15 . 1 1 4 4 SER CA C 4 57.005 57.005 57.437 -0.432 18229 9201 1 15 . 1 1 4 4 SER CB C 4 65.989 65.989 66.625 -0.636 18229 9202 1 15 . 1 1 4 4 SER H H 4 7.817 7.817 7.649 0.168 18229 9203 1 15 . 1 1 5 5 GLY N N 5 106.959 106.959 106.762 0.197 18229 9204 1 15 . 1 1 5 5 GLY C C 5 171.058 171.058 172.087 -1.029 18229 9205 1 15 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.817 -0.346 18229 9206 1 15 . 1 1 5 5 GLY H H 5 8.356 8.356 8.980 -0.624 18229 9207 1 15 . 1 1 6 6 ALA N N 6 125.264 125.264 123.591 1.673 18229 9208 1 15 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.591 0.370 18229 9209 1 15 . 1 1 6 6 ALA C C 6 176.831 176.831 175.823 1.008 18229 9210 1 15 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.585 1.160 18229 9211 1 15 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.103 -0.723 18229 9212 1 15 . 1 1 6 6 ALA H H 6 8.641 8.641 8.510 0.131 18229 9213 1 15 . 1 1 7 7 ALA N N 7 119.937 119.937 122.860 -2.923 18229 9214 1 15 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.418 0.237 18229 9215 1 15 . 1 1 7 7 ALA C C 7 176.683 176.683 175.545 1.138 18229 9216 1 15 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.158 1.587 18229 9217 1 15 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.393 1.644 18229 9218 1 15 . 1 1 7 7 ALA H H 7 8.370 8.370 8.146 0.224 18229 9219 1 15 . 1 1 8 8 ILE N N 8 125.430 125.430 119.426 6.004 18229 9220 1 15 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.217 -0.222 18229 9221 1 15 . 1 1 8 8 ILE C C 8 175.310 175.310 174.958 0.352 18229 9222 1 15 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.287 1.665 18229 9223 1 15 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.535 1.152 18229 9224 1 15 . 1 1 8 8 ILE H H 8 9.349 9.349 8.384 0.965 18229 9225 1 15 . 1 1 9 9 PHE N N 9 128.906 128.906 127.713 1.193 18229 9226 1 15 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.395 -0.103 18229 9227 1 15 . 1 1 9 9 PHE C C 9 173.925 173.925 174.547 -0.622 18229 9228 1 15 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.511 0.760 18229 9229 1 15 . 1 1 9 9 PHE CB C 9 39.567 39.567 40.131 -0.564 18229 9230 1 15 . 1 1 9 9 PHE H H 9 8.450 8.450 8.755 -0.305 18229 9231 1 15 . 1 1 10 10 GLU N N 10 126.509 126.509 127.620 -1.111 18229 9232 1 15 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.775 -0.571 18229 9233 1 15 . 1 1 10 10 GLU C C 10 175.157 175.157 175.721 -0.564 18229 9234 1 15 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.256 -0.477 18229 9235 1 15 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.561 -1.112 18229 9236 1 15 . 1 1 10 10 GLU H H 10 8.749 8.749 8.788 -0.039 18229 9237 1 15 . 1 1 11 11 LYS N N 11 105.729 105.729 110.827 -5.098 18229 9238 1 15 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.879 -0.476 18229 9239 1 15 . 1 1 11 11 LYS C C 11 175.543 175.543 175.592 -0.049 18229 9240 1 15 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.623 0.931 18229 9241 1 15 . 1 1 11 11 LYS CB C 11 30.177 30.177 30.900 -0.723 18229 9242 1 15 . 1 1 11 11 LYS H H 11 7.931 7.931 8.437 -0.506 18229 9243 1 15 . 1 1 12 12 VAL N N 12 123.753 123.753 121.129 2.624 18229 9244 1 15 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.279 0.138 18229 9245 1 15 . 1 1 12 12 VAL C C 12 175.120 175.120 175.158 -0.038 18229 9246 1 15 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.394 0.378 18229 9247 1 15 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.463 -0.182 18229 9248 1 15 . 1 1 12 12 VAL H H 12 7.901 7.901 7.347 0.554 18229 9249 1 15 . 1 1 13 13 SER N N 13 121.941 121.941 119.980 1.961 18229 9250 1 15 . 1 1 13 13 SER HA H 13 4.627 4.627 5.071 -0.444 18229 9251 1 15 . 1 1 13 13 SER C C 13 175.339 175.339 174.081 1.258 18229 9252 1 15 . 1 1 13 13 SER CA C 13 59.813 59.813 57.755 2.058 18229 9253 1 15 . 1 1 13 13 SER CB C 13 63.763 63.763 64.446 -0.683 18229 9254 1 15 . 1 1 13 13 SER H H 13 8.876 8.876 8.725 0.151 18229 9255 1 15 . 1 1 14 14 GLY N N 14 113.199 113.199 114.847 -1.648 18229 9256 1 15 . 1 1 14 14 GLY C C 14 172.742 172.742 172.813 -0.071 18229 9257 1 15 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.410 2.110 18229 9258 1 15 . 1 1 14 14 GLY H H 14 8.277 8.277 8.610 -0.333 18229 9259 1 15 . 1 1 15 15 ILE N N 15 123.240 123.240 120.163 3.077 18229 9260 1 15 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.513 0.297 18229 9261 1 15 . 1 1 15 15 ILE C C 15 175.370 175.370 174.474 0.896 18229 9262 1 15 . 1 1 15 15 ILE CA C 15 59.320 59.320 59.127 0.193 18229 9263 1 15 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.642 -0.036 18229 9264 1 15 . 1 1 15 15 ILE H H 15 8.298 8.298 8.314 -0.016 18229 9265 1 15 . 1 1 16 16 ILE N N 16 127.865 127.865 126.512 1.353 18229 9266 1 15 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.557 0.443 18229 9267 1 15 . 1 1 16 16 ILE C C 16 173.119 173.119 174.157 -1.038 18229 9268 1 15 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.680 0.075 18229 9269 1 15 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.777 1.091 18229 9270 1 15 . 1 1 16 16 ILE H H 16 9.428 9.428 9.029 0.399 18229 9271 1 15 . 1 1 17 17 ALA N N 17 127.742 127.742 130.160 -2.418 18229 9272 1 15 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.916 0.158 18229 9273 1 15 . 1 1 17 17 ALA C C 17 176.203 176.203 176.194 0.009 18229 9274 1 15 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.010 0.381 18229 9275 1 15 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.646 0.544 18229 9276 1 15 . 1 1 17 17 ALA H H 17 8.966 8.966 8.241 0.725 18229 9277 1 15 . 1 1 18 18 ILE N N 18 122.269 122.269 124.245 -1.976 18229 9278 1 15 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.135 0.486 18229 9279 1 15 . 1 1 18 18 ILE C C 18 174.306 174.306 175.562 -1.256 18229 9280 1 15 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.278 -0.777 18229 9281 1 15 . 1 1 18 18 ILE CB C 18 39.147 39.147 38.896 0.251 18229 9282 1 15 . 1 1 18 18 ILE H H 18 8.672 8.672 8.533 0.139 18229 9283 1 15 . 1 1 19 19 ASN N N 19 127.575 127.575 124.437 3.138 18229 9284 1 15 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.803 0.259 18229 9285 1 15 . 1 1 19 19 ASN C C 19 174.730 174.730 174.717 0.013 18229 9286 1 15 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.361 -0.632 18229 9287 1 15 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.927 -0.431 18229 9288 1 15 . 1 1 19 19 ASN H H 19 9.350 9.350 8.871 0.479 18229 9289 1 15 . 1 1 20 20 GLU N N 20 121.547 121.547 123.021 -1.474 18229 9290 1 15 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.086 0.591 18229 9291 1 15 . 1 1 20 20 GLU C C 20 176.091 176.091 176.050 0.041 18229 9292 1 15 . 1 1 20 20 GLU CA C 20 55.802 55.802 58.029 -2.227 18229 9293 1 15 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.806 0.866 18229 9294 1 15 . 1 1 20 20 GLU H H 20 9.037 9.037 8.235 0.802 18229 9295 1 15 . 1 1 21 21 ASP N N 21 121.086 121.086 117.860 3.226 18229 9296 1 15 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.540 0.089 18229 9297 1 15 . 1 1 21 21 ASP C C 21 175.651 175.651 176.043 -0.392 18229 9298 1 15 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.375 1.124 18229 9299 1 15 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.646 -0.096 18229 9300 1 15 . 1 1 21 21 ASP H H 21 8.706 8.706 8.129 0.577 18229 9301 1 15 . 1 1 22 22 VAL N N 22 113.108 113.108 116.761 -3.653 18229 9302 1 15 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.411 -0.095 18229 9303 1 15 . 1 1 22 22 VAL C C 22 173.407 173.407 175.028 -1.621 18229 9304 1 15 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.074 -0.921 18229 9305 1 15 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.508 0.521 18229 9306 1 15 . 1 1 22 22 VAL H H 22 6.819 6.819 7.238 -0.419 18229 9307 1 15 . 1 1 23 23 SER N N 23 115.009 115.009 112.812 2.197 18229 9308 1 15 . 1 1 23 23 SER HA H 23 4.735 4.735 4.611 0.124 18229 9309 1 15 . 1 1 23 23 SER CA C 23 53.848 53.848 57.515 -3.667 18229 9310 1 15 . 1 1 23 23 SER CB C 23 64.810 64.810 63.672 1.138 18229 9311 1 15 . 1 1 23 23 SER H H 23 8.032 8.032 8.263 -0.231 18229 9312 1 15 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.368 0.416 18229 9313 1 15 . 1 1 24 24 PRO C C 24 174.825 174.825 175.845 -1.020 18229 9314 1 15 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.254 0.594 18229 9315 1 15 . 1 1 24 24 PRO CB C 24 34.801 34.801 31.865 2.936 18229 9316 1 15 . 1 1 25 25 ALA N N 25 120.477 120.477 121.378 -0.901 18229 9317 1 15 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.318 0.197 18229 9318 1 15 . 1 1 25 25 ALA C C 25 175.878 175.878 176.847 -0.969 18229 9319 1 15 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.187 0.421 18229 9320 1 15 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.139 0.315 18229 9321 1 15 . 1 1 25 25 ALA H H 25 8.013 8.013 8.226 -0.213 18229 9322 1 15 . 1 1 26 26 GLU N N 26 115.417 115.417 114.709 0.708 18229 9323 1 15 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.112 -0.041 18229 9324 1 15 . 1 1 26 26 GLU C C 26 174.599 174.599 174.676 -0.077 18229 9325 1 15 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.059 -1.072 18229 9326 1 15 . 1 1 26 26 GLU CB C 26 34.265 34.265 33.248 1.017 18229 9327 1 15 . 1 1 26 26 GLU H H 26 7.821 7.821 7.999 -0.178 18229 9328 1 15 . 1 1 27 27 LEU N N 27 124.622 124.622 121.315 3.307 18229 9329 1 15 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.269 -0.231 18229 9330 1 15 . 1 1 27 27 LEU C C 27 174.704 174.704 175.446 -0.742 18229 9331 1 15 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.289 0.468 18229 9332 1 15 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.540 1.106 18229 9333 1 15 . 1 1 27 27 LEU H H 27 8.863 8.863 9.160 -0.297 18229 9334 1 15 . 1 1 28 28 THR N N 28 121.755 121.755 119.279 2.476 18229 9335 1 15 . 1 1 28 28 THR HA H 28 5.152 5.152 5.025 0.127 18229 9336 1 15 . 1 1 28 28 THR C C 28 172.573 172.573 173.291 -0.718 18229 9337 1 15 . 1 1 28 28 THR CA C 28 61.452 61.452 62.416 -0.964 18229 9338 1 15 . 1 1 28 28 THR CB C 28 71.480 71.480 70.141 1.339 18229 9339 1 15 . 1 1 28 28 THR H H 28 9.276 9.276 8.943 0.333 18229 9340 1 15 . 1 1 29 29 TRP N N 29 128.764 128.764 130.791 -2.027 18229 9341 1 15 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.994 0.454 18229 9342 1 15 . 1 1 29 29 TRP C C 29 173.881 173.881 174.379 -0.498 18229 9343 1 15 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.179 -0.389 18229 9344 1 15 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.115 1.215 18229 9345 1 15 . 1 1 29 29 TRP H H 29 9.383 9.383 9.512 -0.129 18229 9346 1 15 . 1 1 30 30 ARG N N 30 126.417 126.417 130.363 -3.946 18229 9347 1 15 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.627 0.180 18229 9348 1 15 . 1 1 30 30 ARG C C 30 174.712 174.712 175.036 -0.324 18229 9349 1 15 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.768 -0.300 18229 9350 1 15 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.921 -0.103 18229 9351 1 15 . 1 1 30 30 ARG H H 30 7.579 7.579 9.110 -1.531 18229 9352 1 15 . 1 1 31 31 SER N N 31 118.415 118.415 120.114 -1.699 18229 9353 1 15 . 1 1 31 31 SER HA H 31 4.480 4.480 3.691 0.789 18229 9354 1 15 . 1 1 31 31 SER C C 31 176.360 176.360 175.335 1.025 18229 9355 1 15 . 1 1 31 31 SER CA C 31 58.070 58.070 59.143 -1.073 18229 9356 1 15 . 1 1 31 31 SER CB C 31 64.272 64.272 63.802 0.470 18229 9357 1 15 . 1 1 31 31 SER H H 31 8.078 8.078 8.767 -0.689 18229 9358 1 15 . 1 1 32 32 THR N N 32 119.175 119.175 120.285 -1.110 18229 9359 1 15 . 1 1 32 32 THR HA H 32 3.847 3.847 4.130 -0.283 18229 9360 1 15 . 1 1 32 32 THR C C 32 175.602 175.602 175.478 0.124 18229 9361 1 15 . 1 1 32 32 THR CA C 32 66.265 66.265 65.428 0.837 18229 9362 1 15 . 1 1 32 32 THR CB C 32 68.557 68.557 68.774 -0.217 18229 9363 1 15 . 1 1 32 32 THR H H 32 8.520 8.520 8.197 0.323 18229 9364 1 15 . 1 1 33 33 ASP N N 33 117.286 117.286 119.698 -2.412 18229 9365 1 15 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.586 0.031 18229 9366 1 15 . 1 1 33 33 ASP C C 33 177.056 177.056 176.540 0.516 18229 9367 1 15 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.095 0.130 18229 9368 1 15 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.799 -0.921 18229 9369 1 15 . 1 1 33 33 ASP H H 33 8.223 8.223 7.717 0.506 18229 9370 1 15 . 1 1 34 34 GLY N N 34 109.197 109.197 108.621 0.576 18229 9371 1 15 . 1 1 34 34 GLY C C 34 173.762 173.762 174.649 -0.887 18229 9372 1 15 . 1 1 34 34 GLY CA C 34 45.399 45.399 44.967 0.432 18229 9373 1 15 . 1 1 34 34 GLY H H 34 7.914 7.914 7.503 0.411 18229 9374 1 15 . 1 1 35 35 ASP N N 35 118.081 118.081 119.867 -1.786 18229 9375 1 15 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.623 -0.104 18229 9376 1 15 . 1 1 35 35 ASP C C 35 175.366 175.366 176.412 -1.046 18229 9377 1 15 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.520 -0.660 18229 9378 1 15 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.698 -0.725 18229 9379 1 15 . 1 1 35 35 ASP H H 35 8.238 8.238 7.977 0.261 18229 9380 1 15 . 1 1 36 36 LYS N N 36 120.362 120.362 116.306 4.056 18229 9381 1 15 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.358 0.476 18229 9382 1 15 . 1 1 36 36 LYS C C 36 174.568 174.568 173.458 1.110 18229 9383 1 15 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.536 -0.000 18229 9384 1 15 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.790 0.989 18229 9385 1 15 . 1 1 36 36 LYS H H 36 7.749 7.749 7.758 -0.009 18229 9386 1 15 . 1 1 37 37 VAL N N 37 121.758 121.758 120.062 1.696 18229 9387 1 15 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.340 -0.069 18229 9388 1 15 . 1 1 37 37 VAL C C 37 175.209 175.209 174.096 1.113 18229 9389 1 15 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.470 -0.207 18229 9390 1 15 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.089 0.894 18229 9391 1 15 . 1 1 37 37 VAL H H 37 8.526 8.526 8.380 0.146 18229 9392 1 15 . 1 1 38 38 HIS N N 38 126.087 126.087 126.795 -0.708 18229 9393 1 15 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.908 0.113 18229 9394 1 15 . 1 1 38 38 HIS C C 38 173.116 173.116 174.475 -1.359 18229 9395 1 15 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.766 1.042 18229 9396 1 15 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.324 0.659 18229 9397 1 15 . 1 1 38 38 HIS H H 38 9.633 9.633 9.618 0.015 18229 9398 1 15 . 1 1 39 39 THR N N 39 124.455 124.455 120.465 3.990 18229 9399 1 15 . 1 1 39 39 THR HA H 39 5.155 5.155 5.150 0.005 18229 9400 1 15 . 1 1 39 39 THR C C 39 173.102 173.102 173.714 -0.612 18229 9401 1 15 . 1 1 39 39 THR CA C 39 61.637 61.637 61.447 0.190 18229 9402 1 15 . 1 1 39 39 THR CB C 39 70.716 70.716 69.598 1.118 18229 9403 1 15 . 1 1 39 39 THR H H 39 8.415 8.415 8.617 -0.202 18229 9404 1 15 . 1 1 40 40 VAL N N 40 126.066 126.066 124.780 1.286 18229 9405 1 15 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.216 -0.263 18229 9406 1 15 . 1 1 40 40 VAL C C 40 174.693 174.693 173.834 0.859 18229 9407 1 15 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.547 -0.199 18229 9408 1 15 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.835 -1.561 18229 9409 1 15 . 1 1 40 40 VAL H H 40 9.387 9.387 9.240 0.147 18229 9410 1 15 . 1 1 41 41 VAL N N 41 129.775 129.775 128.223 1.552 18229 9411 1 15 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.539 -0.551 18229 9412 1 15 . 1 1 41 41 VAL C C 41 179.424 179.424 176.917 2.507 18229 9413 1 15 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.971 2.773 18229 9414 1 15 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.515 -0.564 18229 9415 1 15 . 1 1 41 41 VAL H H 41 9.021 9.021 8.781 0.240 18229 9416 1 15 . 1 1 42 42 LEU N N 42 129.645 129.645 128.943 0.702 18229 9417 1 15 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.096 -0.123 18229 9418 1 15 . 1 1 42 42 LEU C C 42 176.259 176.259 177.802 -1.543 18229 9419 1 15 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.461 1.182 18229 9420 1 15 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.228 -0.400 18229 9421 1 15 . 1 1 42 42 LEU H H 42 9.147 9.147 8.814 0.333 18229 9422 1 15 . 1 1 43 43 SER N N 43 110.158 110.158 111.941 -1.783 18229 9423 1 15 . 1 1 43 43 SER HA H 43 4.310 4.310 4.172 0.138 18229 9424 1 15 . 1 1 43 43 SER C C 43 175.263 175.263 175.712 -0.449 18229 9425 1 15 . 1 1 43 43 SER CA C 43 59.620 59.620 60.299 -0.679 18229 9426 1 15 . 1 1 43 43 SER CB C 43 61.543 61.543 63.500 -1.957 18229 9427 1 15 . 1 1 43 43 SER H H 43 7.006 7.006 7.997 -0.991 18229 9428 1 15 . 1 1 44 44 THR N N 44 110.206 110.206 112.909 -2.703 18229 9429 1 15 . 1 1 44 44 THR HA H 44 4.504 4.504 4.187 0.317 18229 9430 1 15 . 1 1 44 44 THR C C 44 173.489 173.489 175.888 -2.399 18229 9431 1 15 . 1 1 44 44 THR CA C 44 62.024 62.024 63.723 -1.699 18229 9432 1 15 . 1 1 44 44 THR CB C 44 69.805 69.805 69.100 0.705 18229 9433 1 15 . 1 1 44 44 THR H H 44 7.571 7.571 7.609 -0.038 18229 9434 1 15 . 1 1 45 45 ILE N N 45 120.322 120.322 123.579 -3.257 18229 9435 1 15 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.127 0.140 18229 9436 1 15 . 1 1 45 45 ILE C C 45 174.103 174.103 176.368 -2.265 18229 9437 1 15 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.614 -3.644 18229 9438 1 15 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.270 0.290 18229 9439 1 15 . 1 1 45 45 ILE H H 45 6.975 6.975 8.015 -1.040 18229 9440 1 15 . 1 1 46 46 ASP N N 46 126.492 126.492 127.357 -0.865 18229 9441 1 15 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.340 0.371 18229 9442 1 15 . 1 1 46 46 ASP C C 46 175.431 175.431 175.558 -0.127 18229 9443 1 15 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.614 -1.781 18229 9444 1 15 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.717 2.818 18229 9445 1 15 . 1 1 46 46 ASP H H 46 9.262 9.262 8.730 0.532 18229 9446 1 15 . 1 1 47 47 LYS N N 47 112.726 112.726 113.366 -0.640 18229 9447 1 15 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.462 0.245 18229 9448 1 15 . 1 1 47 47 LYS C C 47 172.673 172.673 173.865 -1.192 18229 9449 1 15 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.553 -0.732 18229 9450 1 15 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.515 2.094 18229 9451 1 15 . 1 1 47 47 LYS H H 47 7.572 7.572 7.389 0.183 18229 9452 1 15 . 1 1 48 48 LEU N N 48 124.840 124.840 123.010 1.830 18229 9453 1 15 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.996 0.055 18229 9454 1 15 . 1 1 48 48 LEU C C 48 173.965 173.965 175.698 -1.733 18229 9455 1 15 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.210 -1.190 18229 9456 1 15 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.397 2.167 18229 9457 1 15 . 1 1 48 48 LEU H H 48 9.013 9.013 8.455 0.558 18229 9458 1 15 . 1 1 49 49 GLN N N 49 121.648 121.648 126.126 -4.478 18229 9459 1 15 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.745 0.773 18229 9460 1 15 . 1 1 49 49 GLN C C 49 174.700 174.700 173.796 0.904 18229 9461 1 15 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.144 -0.545 18229 9462 1 15 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.391 0.635 18229 9463 1 15 . 1 1 49 49 GLN H H 49 9.260 9.260 9.421 -0.161 18229 9464 1 15 . 1 1 50 50 ALA N N 50 122.020 122.020 124.639 -2.619 18229 9465 1 15 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.058 0.689 18229 9466 1 15 . 1 1 50 50 ALA C C 50 177.167 177.167 176.729 0.438 18229 9467 1 15 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.102 -0.510 18229 9468 1 15 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.290 2.073 18229 9469 1 15 . 1 1 50 50 ALA H H 50 9.286 9.286 8.382 0.904 18229 9470 1 15 . 1 1 51 51 THR N N 51 114.222 114.222 115.865 -1.643 18229 9471 1 15 . 1 1 51 51 THR HA H 51 4.735 4.735 4.352 0.383 18229 9472 1 15 . 1 1 51 51 THR CA C 51 59.228 59.228 61.061 -1.833 18229 9473 1 15 . 1 1 51 51 THR CB C 51 67.954 67.954 68.386 -0.432 18229 9474 1 15 . 1 1 51 51 THR H H 51 8.340 8.340 8.914 -0.574 18229 9475 1 15 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.491 0.079 18229 9476 1 15 . 1 1 52 52 PRO C C 52 178.621 178.621 177.422 1.199 18229 9477 1 15 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.142 0.285 18229 9478 1 15 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.502 0.217 18229 9479 1 15 . 1 1 53 53 ALA N N 53 126.566 126.566 123.260 3.306 18229 9480 1 15 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.117 -0.062 18229 9481 1 15 . 1 1 53 53 ALA C C 53 177.578 177.578 178.994 -1.416 18229 9482 1 15 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.405 0.415 18229 9483 1 15 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.562 -0.705 18229 9484 1 15 . 1 1 53 53 ALA H H 53 9.109 9.109 8.436 0.673 18229 9485 1 15 . 1 1 54 54 SER N N 54 107.184 107.184 110.695 -3.511 18229 9486 1 15 . 1 1 54 54 SER HA H 54 4.235 4.235 4.353 -0.118 18229 9487 1 15 . 1 1 54 54 SER C C 54 174.838 174.838 174.459 0.379 18229 9488 1 15 . 1 1 54 54 SER CA C 54 58.116 58.116 59.130 -1.014 18229 9489 1 15 . 1 1 54 54 SER CB C 54 63.021 63.021 63.285 -0.264 18229 9490 1 15 . 1 1 54 54 SER H H 54 7.595 7.595 8.113 -0.518 18229 9491 1 15 . 1 1 55 55 SER N N 55 117.098 117.098 117.006 0.092 18229 9492 1 15 . 1 1 55 55 SER HA H 55 4.484 4.484 4.578 -0.094 18229 9493 1 15 . 1 1 55 55 SER C C 55 174.833 174.833 173.477 1.356 18229 9494 1 15 . 1 1 55 55 SER CA C 55 57.510 57.510 58.113 -0.603 18229 9495 1 15 . 1 1 55 55 SER CB C 55 64.121 64.121 64.117 0.004 18229 9496 1 15 . 1 1 55 55 SER H H 55 7.613 7.613 7.609 0.004 18229 9497 1 15 . 1 1 56 56 GLU N N 56 125.258 125.258 124.700 0.558 18229 9498 1 15 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.024 0.105 18229 9499 1 15 . 1 1 56 56 GLU C C 56 177.852 177.852 176.175 1.677 18229 9500 1 15 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.128 -0.516 18229 9501 1 15 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.936 -0.512 18229 9502 1 15 . 1 1 56 56 GLU H H 56 8.849 8.849 8.838 0.011 18229 9503 1 15 . 1 1 57 57 LYS N N 57 119.058 119.058 118.810 0.248 18229 9504 1 15 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.286 0.013 18229 9505 1 15 . 1 1 57 57 LYS C C 57 175.699 175.699 175.750 -0.051 18229 9506 1 15 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.224 0.422 18229 9507 1 15 . 1 1 57 57 LYS CB C 57 33.270 33.270 31.293 1.978 18229 9508 1 15 . 1 1 57 57 LYS H H 57 8.060 8.060 7.916 0.144 18229 9509 1 15 . 1 1 58 58 MET N N 58 123.967 123.967 125.696 -1.729 18229 9510 1 15 . 1 1 58 58 MET HA H 58 4.345 4.345 4.526 -0.181 18229 9511 1 15 . 1 1 58 58 MET C C 58 174.213 174.213 175.529 -1.316 18229 9512 1 15 . 1 1 58 58 MET CA C 58 55.170 55.170 55.669 -0.499 18229 9513 1 15 . 1 1 58 58 MET CB C 58 35.330 35.330 32.637 2.693 18229 9514 1 15 . 1 1 58 58 MET H H 58 8.828 8.828 8.518 0.310 18229 9515 1 15 . 1 1 59 59 MET N N 59 120.929 120.929 121.349 -0.420 18229 9516 1 15 . 1 1 59 59 MET HA H 59 5.905 5.905 5.348 0.557 18229 9517 1 15 . 1 1 59 59 MET C C 59 174.521 174.521 174.082 0.439 18229 9518 1 15 . 1 1 59 59 MET CA C 59 55.038 55.038 55.367 -0.329 18229 9519 1 15 . 1 1 59 59 MET CB C 59 39.549 39.549 37.699 1.850 18229 9520 1 15 . 1 1 59 59 MET H H 59 8.528 8.528 9.441 -0.913 18229 9521 1 15 . 1 1 60 60 LEU N N 60 117.623 117.623 121.240 -3.617 18229 9522 1 15 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.151 0.514 18229 9523 1 15 . 1 1 60 60 LEU C C 60 175.763 175.763 175.209 0.554 18229 9524 1 15 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.859 -0.674 18229 9525 1 15 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.312 2.249 18229 9526 1 15 . 1 1 60 60 LEU H H 60 9.052 9.052 9.706 -0.654 18229 9527 1 15 . 1 1 61 61 ARG N N 61 120.407 120.407 121.550 -1.143 18229 9528 1 15 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.752 -0.281 18229 9529 1 15 . 1 1 61 61 ARG C C 61 173.286 173.286 173.999 -0.713 18229 9530 1 15 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.262 0.669 18229 9531 1 15 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.554 -0.219 18229 9532 1 15 . 1 1 61 61 ARG H H 61 9.180 9.180 9.563 -0.383 18229 9533 1 15 . 1 1 62 62 LEU N N 62 126.471 126.471 125.207 1.264 18229 9534 1 15 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.216 -0.018 18229 9535 1 15 . 1 1 62 62 LEU C C 62 175.447 175.447 176.124 -0.677 18229 9536 1 15 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.376 0.032 18229 9537 1 15 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.859 -1.426 18229 9538 1 15 . 1 1 62 62 LEU H H 62 9.203 9.203 9.065 0.138 18229 9539 1 15 . 1 1 63 63 ILE N N 63 123.282 123.282 124.261 -0.979 18229 9540 1 15 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.488 0.209 18229 9541 1 15 . 1 1 63 63 ILE C C 63 176.525 176.525 176.526 -0.001 18229 9542 1 15 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.812 -0.136 18229 9543 1 15 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.044 0.661 18229 9544 1 15 . 1 1 63 63 ILE H H 63 8.983 8.983 9.039 -0.056 18229 9545 1 15 . 1 1 64 64 GLY N N 64 115.647 115.647 109.744 5.903 18229 9546 1 15 . 1 1 64 64 GLY C C 64 172.300 172.300 173.229 -0.929 18229 9547 1 15 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.637 2.025 18229 9548 1 15 . 1 1 64 64 GLY H H 64 9.372 9.372 7.892 1.480 18229 9549 1 15 . 1 1 65 65 LYS N N 65 119.107 119.107 120.409 -1.302 18229 9550 1 15 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.253 0.053 18229 9551 1 15 . 1 1 65 65 LYS C C 65 177.404 177.404 175.880 1.524 18229 9552 1 15 . 1 1 65 65 LYS CA C 65 56.501 56.501 55.421 1.080 18229 9553 1 15 . 1 1 65 65 LYS CB C 65 34.418 34.418 31.266 3.152 18229 9554 1 15 . 1 1 65 65 LYS H H 65 8.289 8.289 8.284 0.005 18229 9555 1 15 . 1 1 66 66 VAL N N 66 122.231 122.231 123.936 -1.705 18229 9556 1 15 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.184 -0.105 18229 9557 1 15 . 1 1 66 66 VAL C C 66 175.253 175.253 175.822 -0.569 18229 9558 1 15 . 1 1 66 66 VAL CA C 66 62.136 62.136 60.362 1.774 18229 9559 1 15 . 1 1 66 66 VAL CB C 66 33.284 33.284 34.164 -0.880 18229 9560 1 15 . 1 1 66 66 VAL H H 66 8.607 8.607 8.271 0.336 18229 9561 1 15 . 1 1 67 67 ASP N N 67 125.538 125.538 124.264 1.274 18229 9562 1 15 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.977 -0.278 18229 9563 1 15 . 1 1 67 67 ASP C C 67 176.601 176.601 176.478 0.123 18229 9564 1 15 . 1 1 67 67 ASP CA C 67 53.058 53.058 52.696 0.362 18229 9565 1 15 . 1 1 67 67 ASP CB C 67 40.872 40.872 41.117 -0.244 18229 9566 1 15 . 1 1 67 67 ASP H H 67 8.457 8.457 8.516 -0.059 18229 9567 1 15 . 1 1 68 68 GLU N N 68 124.433 124.433 118.003 6.430 18229 9568 1 15 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.101 0.023 18229 9569 1 15 . 1 1 68 68 GLU C C 68 177.344 177.344 177.271 0.073 18229 9570 1 15 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.371 -0.736 18229 9571 1 15 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.293 0.387 18229 9572 1 15 . 1 1 68 68 GLU H H 68 8.712 8.712 8.257 0.455 18229 9573 1 15 . 1 1 69 69 SER N N 69 115.596 115.596 113.274 2.322 18229 9574 1 15 . 1 1 69 69 SER HA H 69 4.328 4.328 4.402 -0.074 18229 9575 1 15 . 1 1 69 69 SER C C 69 175.180 175.180 175.250 -0.070 18229 9576 1 15 . 1 1 69 69 SER CA C 69 60.146 60.146 59.733 0.413 18229 9577 1 15 . 1 1 69 69 SER CB C 69 63.383 63.383 63.280 0.103 18229 9578 1 15 . 1 1 69 69 SER H H 69 8.467 8.467 8.410 0.057 18229 9579 1 15 . 1 1 70 70 LYS N N 70 121.738 121.738 120.599 1.139 18229 9580 1 15 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.321 0.085 18229 9581 1 15 . 1 1 70 70 LYS C C 70 176.165 176.165 176.822 -0.657 18229 9582 1 15 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.432 -1.022 18229 9583 1 15 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.446 -0.946 18229 9584 1 15 . 1 1 70 70 LYS H H 70 7.675 7.675 7.613 0.062 18229 9585 1 15 . 1 1 71 71 LYS N N 71 121.087 121.087 118.004 3.083 18229 9586 1 15 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.061 0.347 18229 9587 1 15 . 1 1 71 71 LYS C C 71 176.134 176.134 175.466 0.668 18229 9588 1 15 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.011 -0.406 18229 9589 1 15 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.195 2.088 18229 9590 1 15 . 1 1 71 71 LYS H H 71 7.739 7.739 7.871 -0.132 18229 9591 1 15 . 1 1 72 72 ARG N N 72 122.147 122.147 121.177 0.970 18229 9592 1 15 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.426 0.158 18229 9593 1 15 . 1 1 72 72 ARG C C 72 175.217 175.217 175.924 -0.707 18229 9594 1 15 . 1 1 72 72 ARG CA C 72 55.041 55.041 55.202 -0.161 18229 9595 1 15 . 1 1 72 72 ARG CB C 72 32.354 32.354 33.040 -0.686 18229 9596 1 15 . 1 1 72 72 ARG H H 72 8.402 8.402 8.371 0.031 18229 9597 1 15 . 1 1 73 73 LYS N N 73 121.242 121.242 118.760 2.482 18229 9598 1 15 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.693 0.206 18229 9599 1 15 . 1 1 73 73 LYS C C 73 176.966 176.966 175.224 1.742 18229 9600 1 15 . 1 1 73 73 LYS CA C 73 55.365 55.365 54.632 0.733 18229 9601 1 15 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.745 -0.114 18229 9602 1 15 . 1 1 73 73 LYS H H 73 8.386 8.386 8.255 0.131 18229 9603 1 15 . 1 1 74 74 ASP N N 74 122.007 122.007 118.400 3.607 18229 9604 1 15 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.963 -0.312 18229 9605 1 15 . 1 1 74 74 ASP C C 74 177.401 177.401 176.628 0.773 18229 9606 1 15 . 1 1 74 74 ASP CA C 74 52.840 52.840 52.318 0.522 18229 9607 1 15 . 1 1 74 74 ASP CB C 74 41.008 41.008 43.094 -2.086 18229 9608 1 15 . 1 1 74 74 ASP H H 74 8.559 8.559 8.256 0.303 18229 9609 1 15 . 1 1 75 75 ASN N N 75 116.263 116.263 118.571 -2.308 18229 9610 1 15 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.565 -0.030 18229 9611 1 15 . 1 1 75 75 ASN C C 75 175.944 175.944 175.656 0.288 18229 9612 1 15 . 1 1 75 75 ASN CA C 75 54.877 54.877 54.787 0.090 18229 9613 1 15 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.603 -0.493 18229 9614 1 15 . 1 1 75 75 ASN H H 75 8.414 8.414 8.505 -0.091 18229 9615 1 15 . 1 1 76 76 GLU N N 76 118.940 118.940 117.683 1.257 18229 9616 1 15 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.447 -0.054 18229 9617 1 15 . 1 1 76 76 GLU C C 76 176.512 176.512 176.364 0.148 18229 9618 1 15 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.470 0.696 18229 9619 1 15 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.062 0.948 18229 9620 1 15 . 1 1 76 76 GLU H H 76 8.133 8.133 7.958 0.175 18229 9621 1 15 . 1 1 77 77 GLY N N 77 108.056 108.056 109.211 -1.155 18229 9622 1 15 . 1 1 77 77 GLY C C 77 174.193 174.193 173.948 0.245 18229 9623 1 15 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.990 -0.703 18229 9624 1 15 . 1 1 77 77 GLY H H 77 8.083 8.083 8.094 -0.011 18229 9625 1 15 . 1 1 78 78 ASN N N 78 119.896 119.896 116.490 3.406 18229 9626 1 15 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.555 0.187 18229 9627 1 15 . 1 1 78 78 ASN C C 78 175.006 175.006 174.852 0.154 18229 9628 1 15 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.874 -1.047 18229 9629 1 15 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.444 -0.448 18229 9630 1 15 . 1 1 78 78 ASN H H 78 8.537 8.537 8.031 0.506 18229 9631 1 15 . 1 1 79 79 GLU N N 79 121.648 121.648 118.095 3.553 18229 9632 1 15 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.767 -0.296 18229 9633 1 15 . 1 1 79 79 GLU C C 79 176.268 176.268 176.145 0.123 18229 9634 1 15 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.649 0.961 18229 9635 1 15 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.178 -0.871 18229 9636 1 15 . 1 1 79 79 GLU H H 79 8.674 8.674 8.473 0.201 18229 9637 1 15 . 1 1 80 80 VAL N N 80 124.083 124.083 127.116 -3.033 18229 9638 1 15 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.082 0.166 18229 9639 1 15 . 1 1 80 80 VAL C C 80 175.537 175.537 175.869 -0.332 18229 9640 1 15 . 1 1 80 80 VAL CA C 80 61.465 61.465 63.571 -2.106 18229 9641 1 15 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.713 0.840 18229 9642 1 15 . 1 1 80 80 VAL H H 80 8.554 8.554 8.993 -0.439 18229 9643 1 15 . 1 1 81 81 VAL N N 81 126.640 126.640 119.355 7.285 18229 9644 1 15 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.791 0.636 18229 9645 1 15 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.933 -2.328 18229 9646 1 15 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.598 1.278 18229 9647 1 15 . 1 1 81 81 VAL H H 81 8.390 8.390 8.049 0.341 18229 9648 1 15 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.326 0.101 18229 9649 1 15 . 1 1 82 82 PRO C C 82 176.034 176.034 176.295 -0.261 18229 9650 1 15 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.342 -0.632 18229 9651 1 15 . 1 1 82 82 PRO CB C 82 32.352 32.352 31.898 0.454 18229 9652 1 15 . 1 1 83 83 LYS N N 83 121.719 121.719 125.003 -3.284 18229 9653 1 15 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.406 0.142 18229 9654 1 15 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.327 -1.471 18229 9655 1 15 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.206 0.124 18229 9656 1 15 . 1 1 83 83 LYS H H 83 8.308 8.308 8.290 0.018 18229 9657 1 15 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.507 -0.211 18229 9658 1 15 . 1 1 84 84 PRO C C 84 176.773 176.773 175.789 0.984 18229 9659 1 15 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.574 -0.018 18229 9660 1 15 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.071 0.547 18229 9661 1 15 . 1 1 85 85 GLN N N 85 121.395 121.395 122.498 -1.103 18229 9662 1 15 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.437 -0.296 18229 9663 1 15 . 1 1 85 85 GLN C C 85 174.940 174.940 174.585 0.355 18229 9664 1 15 . 1 1 85 85 GLN CA C 85 56.062 56.062 54.646 1.416 18229 9665 1 15 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.451 0.279 18229 9666 1 15 . 1 1 85 85 GLN H H 85 8.464 8.464 8.511 -0.047 18229 9667 1 15 . 1 1 86 86 ARG N N 86 121.035 121.035 123.950 -2.915 18229 9668 1 15 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.833 0.294 18229 9669 1 15 . 1 1 86 86 ARG C C 86 175.052 175.052 175.665 -0.613 18229 9670 1 15 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.388 0.146 18229 9671 1 15 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.539 -0.206 18229 9672 1 15 . 1 1 86 86 ARG H H 86 8.248 8.248 8.442 -0.194 18229 9673 1 15 . 1 1 87 87 HIS N N 87 120.780 120.780 121.379 -0.599 18229 9674 1 15 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.517 0.165 18229 9675 1 15 . 1 1 87 87 HIS C C 87 173.558 173.558 173.683 -0.125 18229 9676 1 15 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.753 -0.561 18229 9677 1 15 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.500 2.554 18229 9678 1 15 . 1 1 87 87 HIS H H 87 8.659 8.659 9.073 -0.414 18229 9679 1 15 . 1 1 88 88 MET N N 88 126.780 126.780 123.976 2.804 18229 9680 1 15 . 1 1 88 88 MET HA H 88 5.283 5.283 4.369 0.914 18229 9681 1 15 . 1 1 88 88 MET C C 88 173.297 173.297 173.475 -0.178 18229 9682 1 15 . 1 1 88 88 MET CA C 88 54.835 54.835 54.949 -0.114 18229 9683 1 15 . 1 1 88 88 MET CB C 88 35.794 35.794 33.596 2.198 18229 9684 1 15 . 1 1 88 88 MET H H 88 8.710 8.710 8.325 0.385 18229 9685 1 15 . 1 1 89 89 PHE N N 89 122.543 122.543 125.611 -3.068 18229 9686 1 15 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.283 -0.088 18229 9687 1 15 . 1 1 89 89 PHE C C 89 174.410 174.410 174.931 -0.521 18229 9688 1 15 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.609 0.770 18229 9689 1 15 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.317 2.872 18229 9690 1 15 . 1 1 89 89 PHE H H 89 8.969 8.969 9.430 -0.461 18229 9691 1 15 . 1 1 90 90 SER N N 90 116.192 116.192 120.164 -3.972 18229 9692 1 15 . 1 1 90 90 SER HA H 90 5.696 5.696 4.874 0.822 18229 9693 1 15 . 1 1 90 90 SER C C 90 173.030 173.030 173.888 -0.858 18229 9694 1 15 . 1 1 90 90 SER CA C 90 56.771 56.771 57.933 -1.162 18229 9695 1 15 . 1 1 90 90 SER CB C 90 64.961 64.961 63.474 1.487 18229 9696 1 15 . 1 1 90 90 SER H H 90 8.657 8.657 8.538 0.119 18229 9697 1 15 . 1 1 91 91 PHE N N 91 120.710 120.710 124.823 -4.113 18229 9698 1 15 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.633 0.254 18229 9699 1 15 . 1 1 91 91 PHE C C 91 174.442 174.442 175.409 -0.967 18229 9700 1 15 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.204 -0.779 18229 9701 1 15 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.610 2.782 18229 9702 1 15 . 1 1 91 91 PHE H H 91 9.001 9.001 8.388 0.613 18229 9703 1 15 . 1 1 92 92 ASN N N 92 115.967 115.967 120.012 -4.045 18229 9704 1 15 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.807 0.300 18229 9705 1 15 . 1 1 92 92 ASN C C 92 174.835 174.835 173.784 1.051 18229 9706 1 15 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.118 -0.867 18229 9707 1 15 . 1 1 92 92 ASN CB C 92 39.889 39.889 38.834 1.055 18229 9708 1 15 . 1 1 92 92 ASN H H 92 9.093 9.093 8.842 0.251 18229 9709 1 15 . 1 1 93 93 ASN N N 93 118.401 118.401 116.667 1.734 18229 9710 1 15 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.819 0.103 18229 9711 1 15 . 1 1 93 93 ASN C C 93 174.524 174.524 174.341 0.183 18229 9712 1 15 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.418 -0.405 18229 9713 1 15 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.145 1.616 18229 9714 1 15 . 1 1 93 93 ASN H H 93 7.252 7.252 7.945 -0.693 18229 9715 1 15 . 1 1 94 94 ARG N N 94 129.175 129.175 125.439 3.736 18229 9716 1 15 . 1 1 94 94 ARG HA H 94 3.865 3.865 3.944 -0.079 18229 9717 1 15 . 1 1 94 94 ARG C C 94 176.797 176.797 177.336 -0.539 18229 9718 1 15 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.429 0.054 18229 9719 1 15 . 1 1 94 94 ARG CB C 94 30.129 30.129 29.986 0.143 18229 9720 1 15 . 1 1 94 94 ARG H H 94 9.309 9.309 8.995 0.314 18229 9721 1 15 . 1 1 95 95 THR N N 95 115.594 115.594 114.099 1.495 18229 9722 1 15 . 1 1 95 95 THR HA H 95 4.021 4.021 3.998 0.023 18229 9723 1 15 . 1 1 95 95 THR C C 95 176.735 176.735 176.260 0.475 18229 9724 1 15 . 1 1 95 95 THR CA C 95 66.430 66.430 65.779 0.651 18229 9725 1 15 . 1 1 95 95 THR CB C 95 68.357 68.357 68.580 -0.223 18229 9726 1 15 . 1 1 95 95 THR H H 95 7.973 7.973 8.117 -0.144 18229 9727 1 15 . 1 1 96 96 VAL N N 96 121.833 121.833 121.724 0.109 18229 9728 1 15 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.733 0.050 18229 9729 1 15 . 1 1 96 96 VAL C C 96 177.561 177.561 177.970 -0.409 18229 9730 1 15 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.066 0.059 18229 9731 1 15 . 1 1 96 96 VAL CB C 96 32.201 32.201 30.975 1.226 18229 9732 1 15 . 1 1 96 96 VAL H H 96 7.565 7.565 7.715 -0.150 18229 9733 1 15 . 1 1 97 97 MET N N 97 117.429 117.429 118.231 -0.802 18229 9734 1 15 . 1 1 97 97 MET HA H 97 4.551 4.551 3.418 1.133 18229 9735 1 15 . 1 1 97 97 MET C C 97 177.257 177.257 177.633 -0.376 18229 9736 1 15 . 1 1 97 97 MET CA C 97 59.753 59.753 58.421 1.332 18229 9737 1 15 . 1 1 97 97 MET CB C 97 32.515 32.515 31.500 1.015 18229 9738 1 15 . 1 1 97 97 MET H H 97 7.336 7.336 8.222 -0.886 18229 9739 1 15 . 1 1 98 98 ASP N N 98 118.159 118.159 120.493 -2.334 18229 9740 1 15 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.311 0.004 18229 9741 1 15 . 1 1 98 98 ASP C C 98 178.771 178.771 178.257 0.514 18229 9742 1 15 . 1 1 98 98 ASP CA C 98 57.604 57.604 56.909 0.695 18229 9743 1 15 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.828 -1.164 18229 9744 1 15 . 1 1 98 98 ASP H H 98 8.712 8.712 8.446 0.266 18229 9745 1 15 . 1 1 99 99 ASN N N 99 120.354 120.354 117.000 3.354 18229 9746 1 15 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.588 -0.108 18229 9747 1 15 . 1 1 99 99 ASN C C 99 178.232 178.232 177.245 0.987 18229 9748 1 15 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.356 0.944 18229 9749 1 15 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.196 -0.747 18229 9750 1 15 . 1 1 99 99 ASN H H 99 8.084 8.084 7.959 0.125 18229 9751 1 15 . 1 1 100 100 ILE N N 100 120.990 120.990 122.165 -1.175 18229 9752 1 15 . 1 1 100 100 ILE HA H 100 3.637 3.637 4.067 -0.430 18229 9753 1 15 . 1 1 100 100 ILE C C 100 177.463 177.463 177.717 -0.254 18229 9754 1 15 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.438 -0.665 18229 9755 1 15 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.967 -2.500 18229 9756 1 15 . 1 1 100 100 ILE H H 100 8.017 8.017 8.313 -0.296 18229 9757 1 15 . 1 1 101 101 LYS N N 101 120.814 120.814 119.944 0.870 18229 9758 1 15 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.832 -0.197 18229 9759 1 15 . 1 1 101 101 LYS C C 101 177.365 177.365 178.862 -1.497 18229 9760 1 15 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.882 0.754 18229 9761 1 15 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.344 0.647 18229 9762 1 15 . 1 1 101 101 LYS H H 101 8.944 8.944 8.345 0.599 18229 9763 1 15 . 1 1 102 102 MET N N 102 116.514 116.514 114.150 2.364 18229 9764 1 15 . 1 1 102 102 MET HA H 102 4.209 4.209 4.386 -0.177 18229 9765 1 15 . 1 1 102 102 MET C C 102 178.925 178.925 177.679 1.246 18229 9766 1 15 . 1 1 102 102 MET CA C 102 58.720 58.720 58.633 0.088 18229 9767 1 15 . 1 1 102 102 MET CB C 102 32.299 32.299 31.939 0.359 18229 9768 1 15 . 1 1 102 102 MET H H 102 8.123 8.123 7.580 0.543 18229 9769 1 15 . 1 1 103 103 THR N N 103 118.583 118.583 118.547 0.036 18229 9770 1 15 . 1 1 103 103 THR HA H 103 3.882 3.882 3.951 -0.069 18229 9771 1 15 . 1 1 103 103 THR C C 103 176.474 176.474 176.628 -0.154 18229 9772 1 15 . 1 1 103 103 THR CA C 103 66.489 66.489 67.320 -0.831 18229 9773 1 15 . 1 1 103 103 THR CB C 103 67.864 67.864 68.300 -0.436 18229 9774 1 15 . 1 1 103 103 THR H H 103 7.768 7.768 7.784 -0.016 18229 9775 1 15 . 1 1 104 104 LEU N N 104 119.575 119.575 121.309 -1.734 18229 9776 1 15 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.887 -0.005 18229 9777 1 15 . 1 1 104 104 LEU C C 104 177.935 177.935 179.103 -1.168 18229 9778 1 15 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.600 -0.624 18229 9779 1 15 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.056 1.266 18229 9780 1 15 . 1 1 104 104 LEU H H 104 8.537 8.537 8.016 0.521 18229 9781 1 15 . 1 1 105 105 GLN N N 105 119.463 119.463 117.785 1.678 18229 9782 1 15 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.809 -0.100 18229 9783 1 15 . 1 1 105 105 GLN C C 105 178.507 178.507 178.596 -0.089 18229 9784 1 15 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.269 0.471 18229 9785 1 15 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.326 0.313 18229 9786 1 15 . 1 1 105 105 GLN H H 105 8.736 8.736 7.719 1.017 18229 9787 1 15 . 1 1 106 106 GLN N N 106 118.984 118.984 118.779 0.205 18229 9788 1 15 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.963 0.013 18229 9789 1 15 . 1 1 106 106 GLN C C 106 178.454 178.454 178.592 -0.138 18229 9790 1 15 . 1 1 106 106 GLN CA C 106 59.018 59.018 59.153 -0.135 18229 9791 1 15 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.744 -0.291 18229 9792 1 15 . 1 1 106 106 GLN H H 106 7.689 7.689 8.279 -0.590 18229 9793 1 15 . 1 1 107 107 ILE N N 107 119.928 119.928 119.088 0.840 18229 9794 1 15 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.837 -0.374 18229 9795 1 15 . 1 1 107 107 ILE C C 107 177.492 177.492 178.170 -0.678 18229 9796 1 15 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.632 0.810 18229 9797 1 15 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.194 1.301 18229 9798 1 15 . 1 1 107 107 ILE H H 107 7.910 7.910 7.681 0.229 18229 9799 1 15 . 1 1 108 108 ILE N N 108 117.958 117.958 121.864 -3.906 18229 9800 1 15 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.474 2.285 18229 9801 1 15 . 1 1 108 108 ILE C C 108 178.625 178.625 177.982 0.643 18229 9802 1 15 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.972 0.607 18229 9803 1 15 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.495 1.757 18229 9804 1 15 . 1 1 108 108 ILE H H 108 8.767 8.767 8.617 0.150 18229 9805 1 15 . 1 1 109 109 SER N N 109 113.450 113.450 115.038 -1.588 18229 9806 1 15 . 1 1 109 109 SER HA H 109 4.271 4.271 4.022 0.249 18229 9807 1 15 . 1 1 109 109 SER C C 109 175.966 175.966 176.124 -0.158 18229 9808 1 15 . 1 1 109 109 SER CA C 109 62.205 62.205 61.910 0.295 18229 9809 1 15 . 1 1 109 109 SER CB C 109 63.094 63.094 62.632 0.462 18229 9810 1 15 . 1 1 109 109 SER H H 109 7.797 7.797 8.175 -0.378 18229 9811 1 15 . 1 1 110 110 ARG N N 110 120.739 120.739 120.744 -0.005 18229 9812 1 15 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.156 -0.037 18229 9813 1 15 . 1 1 110 110 ARG C C 110 179.056 179.056 179.206 -0.150 18229 9814 1 15 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.971 -0.151 18229 9815 1 15 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.286 -0.487 18229 9816 1 15 . 1 1 110 110 ARG H H 110 7.450 7.450 8.126 -0.676 18229 9817 1 15 . 1 1 111 111 TYR N N 111 117.972 117.972 119.177 -1.205 18229 9818 1 15 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.325 0.381 18229 9819 1 15 . 1 1 111 111 TYR C C 111 177.853 177.853 177.861 -0.008 18229 9820 1 15 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.136 0.477 18229 9821 1 15 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.415 -0.107 18229 9822 1 15 . 1 1 111 111 TYR H H 111 7.558 7.558 8.440 -0.882 18229 9823 1 15 . 1 1 112 112 LYS N N 112 120.615 120.615 118.054 2.561 18229 9824 1 15 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.176 0.205 18229 9825 1 15 . 1 1 112 112 LYS C C 112 177.893 177.893 178.004 -0.111 18229 9826 1 15 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.684 -0.095 18229 9827 1 15 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.052 0.551 18229 9828 1 15 . 1 1 112 112 LYS H H 112 8.080 8.080 7.509 0.571 18229 9829 1 15 . 1 1 113 113 ASP N N 113 120.325 120.325 120.001 0.324 18229 9830 1 15 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.486 0.158 18229 9831 1 15 . 1 1 113 113 ASP C C 113 176.950 176.950 177.106 -0.156 18229 9832 1 15 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.924 -0.661 18229 9833 1 15 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.953 -0.062 18229 9834 1 15 . 1 1 113 113 ASP H H 113 8.191 8.191 8.231 -0.040 18229 9835 1 15 . 1 1 114 114 ALA N N 114 122.906 122.906 120.830 2.076 18229 9836 1 15 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.345 0.003 18229 9837 1 15 . 1 1 114 114 ALA C C 114 178.055 178.055 177.973 0.082 18229 9838 1 15 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.004 1.170 18229 9839 1 15 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.669 -0.569 18229 9840 1 15 . 1 1 114 114 ALA H H 114 7.900 7.900 7.624 0.276 18229 9841 1 16 . 1 1 2 2 SER N N 2 113.055 113.055 116.775 -3.720 18229 9842 1 16 . 1 1 2 2 SER HA H 2 4.418 4.418 4.285 0.133 18229 9843 1 16 . 1 1 2 2 SER C C 2 174.994 174.994 175.159 -0.165 18229 9844 1 16 . 1 1 2 2 SER CA C 2 58.540 58.540 59.583 -1.043 18229 9845 1 16 . 1 1 2 2 SER CB C 2 63.748 63.748 63.771 -0.023 18229 9846 1 16 . 1 1 2 2 SER H H 2 8.061 8.061 8.295 -0.234 18229 9847 1 16 . 1 1 3 3 HIS N N 3 119.062 119.062 118.085 0.977 18229 9848 1 16 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.499 0.236 18229 9849 1 16 . 1 1 3 3 HIS C C 3 173.417 173.417 174.084 -0.667 18229 9850 1 16 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.999 -0.695 18229 9851 1 16 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.683 -0.136 18229 9852 1 16 . 1 1 3 3 HIS H H 3 8.410 8.410 8.345 0.065 18229 9853 1 16 . 1 1 4 4 SER N N 4 113.520 113.520 111.850 1.670 18229 9854 1 16 . 1 1 4 4 SER HA H 4 5.516 5.516 4.999 0.517 18229 9855 1 16 . 1 1 4 4 SER C C 4 173.602 173.602 172.870 0.732 18229 9856 1 16 . 1 1 4 4 SER CA C 4 57.005 57.005 57.227 -0.222 18229 9857 1 16 . 1 1 4 4 SER CB C 4 65.989 65.989 66.987 -0.999 18229 9858 1 16 . 1 1 4 4 SER H H 4 7.817 7.817 7.474 0.343 18229 9859 1 16 . 1 1 5 5 GLY N N 5 106.959 106.959 106.095 0.864 18229 9860 1 16 . 1 1 5 5 GLY C C 5 171.058 171.058 172.147 -1.089 18229 9861 1 16 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.853 -0.383 18229 9862 1 16 . 1 1 5 5 GLY H H 5 8.356 8.356 8.856 -0.500 18229 9863 1 16 . 1 1 6 6 ALA N N 6 125.264 125.264 123.594 1.670 18229 9864 1 16 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.587 0.374 18229 9865 1 16 . 1 1 6 6 ALA C C 6 176.831 176.831 176.009 0.822 18229 9866 1 16 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.848 0.897 18229 9867 1 16 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.214 -0.834 18229 9868 1 16 . 1 1 6 6 ALA H H 6 8.641 8.641 8.550 0.091 18229 9869 1 16 . 1 1 7 7 ALA N N 7 119.937 119.937 123.787 -3.850 18229 9870 1 16 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.208 0.447 18229 9871 1 16 . 1 1 7 7 ALA C C 7 176.683 176.683 175.599 1.084 18229 9872 1 16 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.039 1.706 18229 9873 1 16 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.936 2.101 18229 9874 1 16 . 1 1 7 7 ALA H H 7 8.370 8.370 8.241 0.129 18229 9875 1 16 . 1 1 8 8 ILE N N 8 125.430 125.430 119.405 6.025 18229 9876 1 16 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.183 -0.188 18229 9877 1 16 . 1 1 8 8 ILE C C 8 175.310 175.310 174.996 0.314 18229 9878 1 16 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.323 1.629 18229 9879 1 16 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.416 1.271 18229 9880 1 16 . 1 1 8 8 ILE H H 8 9.349 9.349 8.209 1.140 18229 9881 1 16 . 1 1 9 9 PHE N N 9 128.906 128.906 127.807 1.099 18229 9882 1 16 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.535 -0.243 18229 9883 1 16 . 1 1 9 9 PHE C C 9 173.925 173.925 174.701 -0.776 18229 9884 1 16 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.386 0.885 18229 9885 1 16 . 1 1 9 9 PHE CB C 9 39.567 39.567 40.519 -0.952 18229 9886 1 16 . 1 1 9 9 PHE H H 9 8.450 8.450 8.800 -0.350 18229 9887 1 16 . 1 1 10 10 GLU N N 10 126.509 126.509 127.819 -1.310 18229 9888 1 16 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.735 -0.531 18229 9889 1 16 . 1 1 10 10 GLU C C 10 175.157 175.157 175.746 -0.589 18229 9890 1 16 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.034 -0.255 18229 9891 1 16 . 1 1 10 10 GLU CB C 10 26.449 26.449 28.170 -1.721 18229 9892 1 16 . 1 1 10 10 GLU H H 10 8.749 8.749 8.919 -0.170 18229 9893 1 16 . 1 1 11 11 LYS N N 11 105.729 105.729 112.784 -7.055 18229 9894 1 16 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.933 -0.530 18229 9895 1 16 . 1 1 11 11 LYS C C 11 175.543 175.543 175.248 0.295 18229 9896 1 16 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.867 0.688 18229 9897 1 16 . 1 1 11 11 LYS CB C 11 30.177 30.177 32.186 -2.009 18229 9898 1 16 . 1 1 11 11 LYS H H 11 7.931 7.931 8.390 -0.459 18229 9899 1 16 . 1 1 12 12 VAL N N 12 123.753 123.753 121.192 2.561 18229 9900 1 16 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.298 0.119 18229 9901 1 16 . 1 1 12 12 VAL C C 12 175.120 175.120 175.380 -0.260 18229 9902 1 16 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.742 0.029 18229 9903 1 16 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.162 0.119 18229 9904 1 16 . 1 1 12 12 VAL H H 12 7.901 7.901 7.346 0.555 18229 9905 1 16 . 1 1 13 13 SER N N 13 121.941 121.941 120.710 1.231 18229 9906 1 16 . 1 1 13 13 SER HA H 13 4.627 4.627 5.081 -0.454 18229 9907 1 16 . 1 1 13 13 SER C C 13 175.339 175.339 174.172 1.167 18229 9908 1 16 . 1 1 13 13 SER CA C 13 59.813 59.813 57.953 1.859 18229 9909 1 16 . 1 1 13 13 SER CB C 13 63.763 63.763 64.001 -0.238 18229 9910 1 16 . 1 1 13 13 SER H H 13 8.876 8.876 8.745 0.131 18229 9911 1 16 . 1 1 14 14 GLY N N 14 113.199 113.199 113.880 -0.681 18229 9912 1 16 . 1 1 14 14 GLY C C 14 172.742 172.742 172.688 0.054 18229 9913 1 16 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.471 2.050 18229 9914 1 16 . 1 1 14 14 GLY H H 14 8.277 8.277 8.605 -0.328 18229 9915 1 16 . 1 1 15 15 ILE N N 15 123.240 123.240 120.277 2.963 18229 9916 1 16 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.457 0.353 18229 9917 1 16 . 1 1 15 15 ILE C C 15 175.370 175.370 173.677 1.693 18229 9918 1 16 . 1 1 15 15 ILE CA C 15 59.320 59.320 59.037 0.283 18229 9919 1 16 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.167 0.438 18229 9920 1 16 . 1 1 15 15 ILE H H 15 8.298 8.298 8.276 0.022 18229 9921 1 16 . 1 1 16 16 ILE N N 16 127.865 127.865 126.347 1.518 18229 9922 1 16 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.528 0.472 18229 9923 1 16 . 1 1 16 16 ILE C C 16 173.119 173.119 174.076 -0.957 18229 9924 1 16 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.629 0.126 18229 9925 1 16 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.810 1.058 18229 9926 1 16 . 1 1 16 16 ILE H H 16 9.428 9.428 9.045 0.383 18229 9927 1 16 . 1 1 17 17 ALA N N 17 127.742 127.742 129.982 -2.240 18229 9928 1 16 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.889 0.185 18229 9929 1 16 . 1 1 17 17 ALA C C 17 176.203 176.203 175.980 0.223 18229 9930 1 16 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.083 0.308 18229 9931 1 16 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.596 0.594 18229 9932 1 16 . 1 1 17 17 ALA H H 17 8.966 8.966 7.867 1.099 18229 9933 1 16 . 1 1 18 18 ILE N N 18 122.269 122.269 124.815 -2.546 18229 9934 1 16 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.206 0.415 18229 9935 1 16 . 1 1 18 18 ILE C C 18 174.306 174.306 175.562 -1.256 18229 9936 1 16 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.233 -0.733 18229 9937 1 16 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.130 0.017 18229 9938 1 16 . 1 1 18 18 ILE H H 18 8.672 8.672 8.481 0.191 18229 9939 1 16 . 1 1 19 19 ASN N N 19 127.575 127.575 125.692 1.883 18229 9940 1 16 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.751 0.311 18229 9941 1 16 . 1 1 19 19 ASN C C 19 174.730 174.730 174.849 -0.119 18229 9942 1 16 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.241 -0.512 18229 9943 1 16 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.861 -0.365 18229 9944 1 16 . 1 1 19 19 ASN H H 19 9.350 9.350 8.870 0.480 18229 9945 1 16 . 1 1 20 20 GLU N N 20 121.547 121.547 123.805 -2.258 18229 9946 1 16 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.161 0.516 18229 9947 1 16 . 1 1 20 20 GLU C C 20 176.091 176.091 176.041 0.050 18229 9948 1 16 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.593 -1.791 18229 9949 1 16 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.759 0.913 18229 9950 1 16 . 1 1 20 20 GLU H H 20 9.037 9.037 8.198 0.839 18229 9951 1 16 . 1 1 21 21 ASP N N 21 121.086 121.086 117.660 3.426 18229 9952 1 16 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.581 0.048 18229 9953 1 16 . 1 1 21 21 ASP C C 21 175.651 175.651 176.009 -0.358 18229 9954 1 16 . 1 1 21 21 ASP CA C 21 55.499 55.499 55.037 0.462 18229 9955 1 16 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.600 -0.050 18229 9956 1 16 . 1 1 21 21 ASP H H 21 8.706 8.706 8.154 0.552 18229 9957 1 16 . 1 1 22 22 VAL N N 22 113.108 113.108 117.635 -4.527 18229 9958 1 16 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.448 -0.132 18229 9959 1 16 . 1 1 22 22 VAL C C 22 173.407 173.407 175.403 -1.996 18229 9960 1 16 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.837 -0.683 18229 9961 1 16 . 1 1 22 22 VAL CB C 22 34.029 34.029 32.912 1.117 18229 9962 1 16 . 1 1 22 22 VAL H H 22 6.819 6.819 7.329 -0.510 18229 9963 1 16 . 1 1 23 23 SER N N 23 115.009 115.009 114.557 0.452 18229 9964 1 16 . 1 1 23 23 SER HA H 23 4.735 4.735 4.634 0.101 18229 9965 1 16 . 1 1 23 23 SER CA C 23 53.848 53.848 57.245 -3.397 18229 9966 1 16 . 1 1 23 23 SER CB C 23 64.810 64.810 63.512 1.298 18229 9967 1 16 . 1 1 23 23 SER H H 23 8.032 8.032 8.111 -0.079 18229 9968 1 16 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.445 0.339 18229 9969 1 16 . 1 1 24 24 PRO C C 24 174.825 174.825 175.917 -1.092 18229 9970 1 16 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.435 0.412 18229 9971 1 16 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.538 2.263 18229 9972 1 16 . 1 1 25 25 ALA N N 25 120.477 120.477 122.266 -1.789 18229 9973 1 16 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.302 0.213 18229 9974 1 16 . 1 1 25 25 ALA C C 25 175.878 175.878 176.627 -0.749 18229 9975 1 16 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.395 0.213 18229 9976 1 16 . 1 1 25 25 ALA CB C 25 20.454 20.454 19.973 0.481 18229 9977 1 16 . 1 1 25 25 ALA H H 25 8.013 8.013 8.310 -0.297 18229 9978 1 16 . 1 1 26 26 GLU N N 26 115.417 115.417 114.457 0.960 18229 9979 1 16 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.167 -0.096 18229 9980 1 16 . 1 1 26 26 GLU C C 26 174.599 174.599 174.927 -0.328 18229 9981 1 16 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.573 -1.586 18229 9982 1 16 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.619 1.646 18229 9983 1 16 . 1 1 26 26 GLU H H 26 7.821 7.821 7.951 -0.130 18229 9984 1 16 . 1 1 27 27 LEU N N 27 124.622 124.622 122.641 1.981 18229 9985 1 16 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.351 -0.313 18229 9986 1 16 . 1 1 27 27 LEU C C 27 174.704 174.704 175.865 -1.161 18229 9987 1 16 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.516 0.241 18229 9988 1 16 . 1 1 27 27 LEU CB C 27 45.646 45.646 43.954 1.692 18229 9989 1 16 . 1 1 27 27 LEU H H 27 8.863 8.863 9.027 -0.164 18229 9990 1 16 . 1 1 28 28 THR N N 28 121.755 121.755 121.723 0.032 18229 9991 1 16 . 1 1 28 28 THR HA H 28 5.152 5.152 5.026 0.126 18229 9992 1 16 . 1 1 28 28 THR C C 28 172.573 172.573 173.442 -0.869 18229 9993 1 16 . 1 1 28 28 THR CA C 28 61.452 61.452 62.592 -1.140 18229 9994 1 16 . 1 1 28 28 THR CB C 28 71.480 71.480 69.787 1.693 18229 9995 1 16 . 1 1 28 28 THR H H 28 9.276 9.276 9.113 0.163 18229 9996 1 16 . 1 1 29 29 TRP N N 29 128.764 128.764 131.077 -2.313 18229 9997 1 16 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.007 0.441 18229 9998 1 16 . 1 1 29 29 TRP C C 29 173.881 173.881 174.379 -0.498 18229 9999 1 16 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.184 -0.394 18229 10000 1 16 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.092 1.238 18229 10001 1 16 . 1 1 29 29 TRP H H 29 9.383 9.383 9.491 -0.108 18229 10002 1 16 . 1 1 30 30 ARG N N 30 126.417 126.417 129.835 -3.418 18229 10003 1 16 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.631 0.176 18229 10004 1 16 . 1 1 30 30 ARG C C 30 174.712 174.712 175.448 -0.736 18229 10005 1 16 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.600 -0.132 18229 10006 1 16 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.770 0.048 18229 10007 1 16 . 1 1 30 30 ARG H H 30 7.579 7.579 9.126 -1.547 18229 10008 1 16 . 1 1 31 31 SER N N 31 118.415 118.415 121.537 -3.122 18229 10009 1 16 . 1 1 31 31 SER HA H 31 4.480 4.480 3.695 0.785 18229 10010 1 16 . 1 1 31 31 SER C C 31 176.360 176.360 175.019 1.341 18229 10011 1 16 . 1 1 31 31 SER CA C 31 58.070 58.070 60.245 -2.175 18229 10012 1 16 . 1 1 31 31 SER CB C 31 64.272 64.272 63.621 0.651 18229 10013 1 16 . 1 1 31 31 SER H H 31 8.078 8.078 8.691 -0.613 18229 10014 1 16 . 1 1 32 32 THR N N 32 119.175 119.175 116.846 2.329 18229 10015 1 16 . 1 1 32 32 THR HA H 32 3.847 3.847 4.072 -0.225 18229 10016 1 16 . 1 1 32 32 THR C C 32 175.602 175.602 175.443 0.159 18229 10017 1 16 . 1 1 32 32 THR CA C 32 66.265 66.265 65.856 0.409 18229 10018 1 16 . 1 1 32 32 THR CB C 32 68.557 68.557 69.073 -0.516 18229 10019 1 16 . 1 1 32 32 THR H H 32 8.520 8.520 8.288 0.232 18229 10020 1 16 . 1 1 33 33 ASP N N 33 117.286 117.286 119.740 -2.454 18229 10021 1 16 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.554 0.063 18229 10022 1 16 . 1 1 33 33 ASP C C 33 177.056 177.056 177.045 0.011 18229 10023 1 16 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.322 -0.097 18229 10024 1 16 . 1 1 33 33 ASP CB C 33 40.878 40.878 40.384 0.494 18229 10025 1 16 . 1 1 33 33 ASP H H 33 8.223 8.223 8.280 -0.057 18229 10026 1 16 . 1 1 34 34 GLY N N 34 109.197 109.197 108.453 0.744 18229 10027 1 16 . 1 1 34 34 GLY C C 34 173.762 173.762 174.210 -0.448 18229 10028 1 16 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.099 0.300 18229 10029 1 16 . 1 1 34 34 GLY H H 34 7.914 7.914 8.245 -0.331 18229 10030 1 16 . 1 1 35 35 ASP N N 35 118.081 118.081 120.065 -1.984 18229 10031 1 16 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.652 -0.133 18229 10032 1 16 . 1 1 35 35 ASP C C 35 175.366 175.366 175.568 -0.202 18229 10033 1 16 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.647 -0.787 18229 10034 1 16 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.634 -0.661 18229 10035 1 16 . 1 1 35 35 ASP H H 35 8.238 8.238 8.655 -0.417 18229 10036 1 16 . 1 1 36 36 LYS N N 36 120.362 120.362 113.780 6.582 18229 10037 1 16 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.485 0.349 18229 10038 1 16 . 1 1 36 36 LYS C C 36 174.568 174.568 173.526 1.042 18229 10039 1 16 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.390 0.146 18229 10040 1 16 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.783 0.996 18229 10041 1 16 . 1 1 36 36 LYS H H 36 7.749 7.749 7.460 0.289 18229 10042 1 16 . 1 1 37 37 VAL N N 37 121.758 121.758 119.576 2.182 18229 10043 1 16 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.205 0.066 18229 10044 1 16 . 1 1 37 37 VAL C C 37 175.209 175.209 174.030 1.179 18229 10045 1 16 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.419 -0.156 18229 10046 1 16 . 1 1 37 37 VAL CB C 37 35.983 35.983 34.820 1.163 18229 10047 1 16 . 1 1 37 37 VAL H H 37 8.526 8.526 8.418 0.108 18229 10048 1 16 . 1 1 38 38 HIS N N 38 126.087 126.087 125.663 0.424 18229 10049 1 16 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.969 0.052 18229 10050 1 16 . 1 1 38 38 HIS C C 38 173.116 173.116 174.250 -1.134 18229 10051 1 16 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.706 1.102 18229 10052 1 16 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.779 0.204 18229 10053 1 16 . 1 1 38 38 HIS H H 38 9.633 9.633 9.544 0.089 18229 10054 1 16 . 1 1 39 39 THR N N 39 124.455 124.455 121.151 3.304 18229 10055 1 16 . 1 1 39 39 THR HA H 39 5.155 5.155 4.861 0.294 18229 10056 1 16 . 1 1 39 39 THR C C 39 173.102 173.102 173.474 -0.372 18229 10057 1 16 . 1 1 39 39 THR CA C 39 61.637 61.637 62.183 -0.546 18229 10058 1 16 . 1 1 39 39 THR CB C 39 70.716 70.716 69.614 1.102 18229 10059 1 16 . 1 1 39 39 THR H H 39 8.415 8.415 8.647 -0.232 18229 10060 1 16 . 1 1 40 40 VAL N N 40 126.066 126.066 126.727 -0.661 18229 10061 1 16 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.248 -0.295 18229 10062 1 16 . 1 1 40 40 VAL C C 40 174.693 174.693 174.181 0.512 18229 10063 1 16 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.694 -0.346 18229 10064 1 16 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.078 -1.804 18229 10065 1 16 . 1 1 40 40 VAL H H 40 9.387 9.387 9.259 0.128 18229 10066 1 16 . 1 1 41 41 VAL N N 41 129.775 129.775 128.845 0.930 18229 10067 1 16 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.525 -0.537 18229 10068 1 16 . 1 1 41 41 VAL C C 41 179.424 179.424 176.447 2.977 18229 10069 1 16 . 1 1 41 41 VAL CA C 41 63.744 63.744 61.184 2.560 18229 10070 1 16 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.576 -0.625 18229 10071 1 16 . 1 1 41 41 VAL H H 41 9.021 9.021 8.693 0.328 18229 10072 1 16 . 1 1 42 42 LEU N N 42 129.645 129.645 128.299 1.346 18229 10073 1 16 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.111 -0.138 18229 10074 1 16 . 1 1 42 42 LEU C C 42 176.259 176.259 177.964 -1.705 18229 10075 1 16 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.444 1.199 18229 10076 1 16 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.453 -0.625 18229 10077 1 16 . 1 1 42 42 LEU H H 42 9.147 9.147 8.649 0.498 18229 10078 1 16 . 1 1 43 43 SER N N 43 110.158 110.158 111.717 -1.559 18229 10079 1 16 . 1 1 43 43 SER HA H 43 4.310 4.310 4.062 0.248 18229 10080 1 16 . 1 1 43 43 SER C C 43 175.263 175.263 176.097 -0.834 18229 10081 1 16 . 1 1 43 43 SER CA C 43 59.620 59.620 60.889 -1.269 18229 10082 1 16 . 1 1 43 43 SER CB C 43 61.543 61.543 63.770 -2.227 18229 10083 1 16 . 1 1 43 43 SER H H 43 7.006 7.006 8.129 -1.123 18229 10084 1 16 . 1 1 44 44 THR N N 44 110.206 110.206 115.616 -5.410 18229 10085 1 16 . 1 1 44 44 THR HA H 44 4.504 4.504 4.155 0.349 18229 10086 1 16 . 1 1 44 44 THR C C 44 173.489 173.489 176.082 -2.593 18229 10087 1 16 . 1 1 44 44 THR CA C 44 62.024 62.024 64.032 -2.008 18229 10088 1 16 . 1 1 44 44 THR CB C 44 69.805 69.805 68.621 1.184 18229 10089 1 16 . 1 1 44 44 THR H H 44 7.571 7.571 7.691 -0.120 18229 10090 1 16 . 1 1 45 45 ILE N N 45 120.322 120.322 124.479 -4.157 18229 10091 1 16 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.156 0.111 18229 10092 1 16 . 1 1 45 45 ILE C C 45 174.103 174.103 176.937 -2.834 18229 10093 1 16 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.340 -3.370 18229 10094 1 16 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.550 1.010 18229 10095 1 16 . 1 1 45 45 ILE H H 45 6.975 6.975 7.998 -1.023 18229 10096 1 16 . 1 1 46 46 ASP N N 46 126.492 126.492 129.131 -2.639 18229 10097 1 16 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.420 0.291 18229 10098 1 16 . 1 1 46 46 ASP C C 46 175.431 175.431 175.431 0.000 18229 10099 1 16 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.367 -1.534 18229 10100 1 16 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.798 2.737 18229 10101 1 16 . 1 1 46 46 ASP H H 46 9.262 9.262 8.942 0.320 18229 10102 1 16 . 1 1 47 47 LYS N N 47 112.726 112.726 113.757 -1.031 18229 10103 1 16 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.456 0.251 18229 10104 1 16 . 1 1 47 47 LYS C C 47 172.673 172.673 173.862 -1.189 18229 10105 1 16 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.623 -0.803 18229 10106 1 16 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.387 2.222 18229 10107 1 16 . 1 1 47 47 LYS H H 47 7.572 7.572 7.401 0.171 18229 10108 1 16 . 1 1 48 48 LEU N N 48 124.840 124.840 123.223 1.617 18229 10109 1 16 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.974 0.077 18229 10110 1 16 . 1 1 48 48 LEU C C 48 173.965 173.965 175.755 -1.790 18229 10111 1 16 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.222 -1.202 18229 10112 1 16 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.010 2.554 18229 10113 1 16 . 1 1 48 48 LEU H H 48 9.013 9.013 8.457 0.556 18229 10114 1 16 . 1 1 49 49 GLN N N 49 121.648 121.648 126.421 -4.773 18229 10115 1 16 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.754 0.764 18229 10116 1 16 . 1 1 49 49 GLN C C 49 174.700 174.700 173.841 0.859 18229 10117 1 16 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.308 -0.709 18229 10118 1 16 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.250 0.776 18229 10119 1 16 . 1 1 49 49 GLN H H 49 9.260 9.260 9.404 -0.144 18229 10120 1 16 . 1 1 50 50 ALA N N 50 122.020 122.020 124.853 -2.833 18229 10121 1 16 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.159 0.588 18229 10122 1 16 . 1 1 50 50 ALA C C 50 177.167 177.167 176.582 0.585 18229 10123 1 16 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.174 -0.582 18229 10124 1 16 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.320 2.043 18229 10125 1 16 . 1 1 50 50 ALA H H 50 9.286 9.286 8.411 0.875 18229 10126 1 16 . 1 1 51 51 THR N N 51 114.222 114.222 115.687 -1.465 18229 10127 1 16 . 1 1 51 51 THR HA H 51 4.735 4.735 4.347 0.388 18229 10128 1 16 . 1 1 51 51 THR CA C 51 59.228 59.228 61.715 -2.487 18229 10129 1 16 . 1 1 51 51 THR CB C 51 67.954 67.954 68.320 -0.366 18229 10130 1 16 . 1 1 51 51 THR H H 51 8.340 8.340 9.050 -0.710 18229 10131 1 16 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.469 0.101 18229 10132 1 16 . 1 1 52 52 PRO C C 52 178.621 178.621 177.325 1.296 18229 10133 1 16 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.731 -0.303 18229 10134 1 16 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.701 0.018 18229 10135 1 16 . 1 1 53 53 ALA N N 53 126.566 126.566 123.082 3.484 18229 10136 1 16 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.131 -0.076 18229 10137 1 16 . 1 1 53 53 ALA C C 53 177.578 177.578 178.789 -1.211 18229 10138 1 16 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.421 0.399 18229 10139 1 16 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.505 -0.648 18229 10140 1 16 . 1 1 53 53 ALA H H 53 9.109 9.109 8.479 0.630 18229 10141 1 16 . 1 1 54 54 SER N N 54 107.184 107.184 111.541 -4.357 18229 10142 1 16 . 1 1 54 54 SER HA H 54 4.235 4.235 4.380 -0.145 18229 10143 1 16 . 1 1 54 54 SER C C 54 174.838 174.838 174.407 0.431 18229 10144 1 16 . 1 1 54 54 SER CA C 54 58.116 58.116 59.715 -1.599 18229 10145 1 16 . 1 1 54 54 SER CB C 54 63.021 63.021 63.086 -0.065 18229 10146 1 16 . 1 1 54 54 SER H H 54 7.595 7.595 8.152 -0.557 18229 10147 1 16 . 1 1 55 55 SER N N 55 117.098 117.098 117.664 -0.566 18229 10148 1 16 . 1 1 55 55 SER HA H 55 4.484 4.484 4.538 -0.054 18229 10149 1 16 . 1 1 55 55 SER C C 55 174.833 174.833 174.252 0.581 18229 10150 1 16 . 1 1 55 55 SER CA C 55 57.510 57.510 58.248 -0.738 18229 10151 1 16 . 1 1 55 55 SER CB C 55 64.121 64.121 64.031 0.090 18229 10152 1 16 . 1 1 55 55 SER H H 55 7.613 7.613 7.419 0.194 18229 10153 1 16 . 1 1 56 56 GLU N N 56 125.258 125.258 124.324 0.934 18229 10154 1 16 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.040 0.089 18229 10155 1 16 . 1 1 56 56 GLU C C 56 177.852 177.852 176.076 1.776 18229 10156 1 16 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.324 -0.712 18229 10157 1 16 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.989 -0.565 18229 10158 1 16 . 1 1 56 56 GLU H H 56 8.849 8.849 8.722 0.127 18229 10159 1 16 . 1 1 57 57 LYS N N 57 119.058 119.058 118.766 0.292 18229 10160 1 16 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.325 -0.026 18229 10161 1 16 . 1 1 57 57 LYS C C 57 175.699 175.699 175.654 0.045 18229 10162 1 16 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.163 0.482 18229 10163 1 16 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.292 0.978 18229 10164 1 16 . 1 1 57 57 LYS H H 57 8.060 8.060 7.857 0.203 18229 10165 1 16 . 1 1 58 58 MET N N 58 123.967 123.967 122.094 1.873 18229 10166 1 16 . 1 1 58 58 MET HA H 58 4.345 4.345 4.977 -0.632 18229 10167 1 16 . 1 1 58 58 MET C C 58 174.213 174.213 174.843 -0.630 18229 10168 1 16 . 1 1 58 58 MET CA C 58 55.170 55.170 53.953 1.217 18229 10169 1 16 . 1 1 58 58 MET CB C 58 35.330 35.330 32.253 3.077 18229 10170 1 16 . 1 1 58 58 MET H H 58 8.828 8.828 8.650 0.178 18229 10171 1 16 . 1 1 59 59 MET N N 59 120.929 120.929 122.006 -1.077 18229 10172 1 16 . 1 1 59 59 MET HA H 59 5.905 5.905 5.341 0.564 18229 10173 1 16 . 1 1 59 59 MET C C 59 174.521 174.521 174.020 0.501 18229 10174 1 16 . 1 1 59 59 MET CA C 59 55.038 55.038 55.578 -0.540 18229 10175 1 16 . 1 1 59 59 MET CB C 59 39.549 39.549 37.938 1.611 18229 10176 1 16 . 1 1 59 59 MET H H 59 8.528 8.528 9.373 -0.845 18229 10177 1 16 . 1 1 60 60 LEU N N 60 117.623 117.623 120.899 -3.276 18229 10178 1 16 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.176 0.489 18229 10179 1 16 . 1 1 60 60 LEU C C 60 175.763 175.763 175.275 0.488 18229 10180 1 16 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.874 -0.689 18229 10181 1 16 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.453 2.108 18229 10182 1 16 . 1 1 60 60 LEU H H 60 9.052 9.052 9.666 -0.614 18229 10183 1 16 . 1 1 61 61 ARG N N 61 120.407 120.407 121.267 -0.860 18229 10184 1 16 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.732 -0.261 18229 10185 1 16 . 1 1 61 61 ARG C C 61 173.286 173.286 174.027 -0.741 18229 10186 1 16 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.566 0.365 18229 10187 1 16 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.355 -0.020 18229 10188 1 16 . 1 1 61 61 ARG H H 61 9.180 9.180 9.584 -0.404 18229 10189 1 16 . 1 1 62 62 LEU N N 62 126.471 126.471 125.902 0.569 18229 10190 1 16 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.238 -0.040 18229 10191 1 16 . 1 1 62 62 LEU C C 62 175.447 175.447 176.137 -0.690 18229 10192 1 16 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.307 0.101 18229 10193 1 16 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.659 -1.226 18229 10194 1 16 . 1 1 62 62 LEU H H 62 9.203 9.203 8.882 0.321 18229 10195 1 16 . 1 1 63 63 ILE N N 63 123.282 123.282 124.255 -0.973 18229 10196 1 16 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.238 0.459 18229 10197 1 16 . 1 1 63 63 ILE C C 63 176.525 176.525 176.600 -0.075 18229 10198 1 16 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.889 -0.213 18229 10199 1 16 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.059 0.646 18229 10200 1 16 . 1 1 63 63 ILE H H 63 8.983 8.983 8.798 0.185 18229 10201 1 16 . 1 1 64 64 GLY N N 64 115.647 115.647 110.300 5.347 18229 10202 1 16 . 1 1 64 64 GLY C C 64 172.300 172.300 173.110 -0.810 18229 10203 1 16 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.487 2.175 18229 10204 1 16 . 1 1 64 64 GLY H H 64 9.372 9.372 7.535 1.837 18229 10205 1 16 . 1 1 65 65 LYS N N 65 119.107 119.107 119.578 -0.471 18229 10206 1 16 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.487 -0.181 18229 10207 1 16 . 1 1 65 65 LYS C C 65 177.404 177.404 176.471 0.933 18229 10208 1 16 . 1 1 65 65 LYS CA C 65 56.501 56.501 54.781 1.720 18229 10209 1 16 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.281 2.137 18229 10210 1 16 . 1 1 65 65 LYS H H 65 8.289 8.289 8.283 0.006 18229 10211 1 16 . 1 1 66 66 VAL N N 66 122.231 122.231 123.094 -0.863 18229 10212 1 16 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.322 -0.243 18229 10213 1 16 . 1 1 66 66 VAL C C 66 175.253 175.253 174.824 0.429 18229 10214 1 16 . 1 1 66 66 VAL CA C 66 62.136 62.136 60.202 1.934 18229 10215 1 16 . 1 1 66 66 VAL CB C 66 33.284 33.284 34.680 -1.396 18229 10216 1 16 . 1 1 66 66 VAL H H 66 8.607 8.607 8.432 0.175 18229 10217 1 16 . 1 1 67 67 ASP N N 67 125.538 125.538 126.696 -1.158 18229 10218 1 16 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.724 -0.025 18229 10219 1 16 . 1 1 67 67 ASP C C 67 176.601 176.601 176.009 0.592 18229 10220 1 16 . 1 1 67 67 ASP CA C 67 53.058 53.058 54.728 -1.670 18229 10221 1 16 . 1 1 67 67 ASP CB C 67 40.872 40.872 39.883 0.989 18229 10222 1 16 . 1 1 67 67 ASP H H 67 8.457 8.457 8.757 -0.300 18229 10223 1 16 . 1 1 68 68 GLU N N 68 124.433 124.433 121.881 2.552 18229 10224 1 16 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.003 0.121 18229 10225 1 16 . 1 1 68 68 GLU C C 68 177.344 177.344 177.394 -0.050 18229 10226 1 16 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.715 -1.080 18229 10227 1 16 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.383 0.297 18229 10228 1 16 . 1 1 68 68 GLU H H 68 8.712 8.712 7.835 0.877 18229 10229 1 16 . 1 1 69 69 SER N N 69 115.596 115.596 113.742 1.854 18229 10230 1 16 . 1 1 69 69 SER HA H 69 4.328 4.328 4.232 0.096 18229 10231 1 16 . 1 1 69 69 SER C C 69 175.180 175.180 175.305 -0.125 18229 10232 1 16 . 1 1 69 69 SER CA C 69 60.146 60.146 60.340 -0.194 18229 10233 1 16 . 1 1 69 69 SER CB C 69 63.383 63.383 62.995 0.388 18229 10234 1 16 . 1 1 69 69 SER H H 69 8.467 8.467 8.308 0.159 18229 10235 1 16 . 1 1 70 70 LYS N N 70 121.738 121.738 120.144 1.594 18229 10236 1 16 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.183 0.223 18229 10237 1 16 . 1 1 70 70 LYS C C 70 176.165 176.165 176.708 -0.543 18229 10238 1 16 . 1 1 70 70 LYS CA C 70 55.410 55.410 57.065 -1.655 18229 10239 1 16 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.007 -0.507 18229 10240 1 16 . 1 1 70 70 LYS H H 70 7.675 7.675 7.802 -0.127 18229 10241 1 16 . 1 1 71 71 LYS N N 71 121.087 121.087 116.506 4.581 18229 10242 1 16 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.104 0.304 18229 10243 1 16 . 1 1 71 71 LYS C C 71 176.134 176.134 175.470 0.664 18229 10244 1 16 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.821 -0.216 18229 10245 1 16 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.145 2.138 18229 10246 1 16 . 1 1 71 71 LYS H H 71 7.739 7.739 8.360 -0.621 18229 10247 1 16 . 1 1 72 72 ARG N N 72 122.147 122.147 122.298 -0.151 18229 10248 1 16 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.502 0.082 18229 10249 1 16 . 1 1 72 72 ARG C C 72 175.217 175.217 176.305 -1.088 18229 10250 1 16 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.877 0.164 18229 10251 1 16 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.070 1.284 18229 10252 1 16 . 1 1 72 72 ARG H H 72 8.402 8.402 8.713 -0.311 18229 10253 1 16 . 1 1 73 73 LYS N N 73 121.242 121.242 126.086 -4.844 18229 10254 1 16 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.275 0.624 18229 10255 1 16 . 1 1 73 73 LYS C C 73 176.966 176.966 175.788 1.178 18229 10256 1 16 . 1 1 73 73 LYS CA C 73 55.365 55.365 56.698 -1.333 18229 10257 1 16 . 1 1 73 73 LYS CB C 73 34.631 34.631 32.948 1.683 18229 10258 1 16 . 1 1 73 73 LYS H H 73 8.386 8.386 8.553 -0.167 18229 10259 1 16 . 1 1 74 74 ASP N N 74 122.007 122.007 119.858 2.149 18229 10260 1 16 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.629 0.022 18229 10261 1 16 . 1 1 74 74 ASP C C 74 177.401 177.401 176.754 0.647 18229 10262 1 16 . 1 1 74 74 ASP CA C 74 52.840 52.840 55.372 -2.532 18229 10263 1 16 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.470 -0.462 18229 10264 1 16 . 1 1 74 74 ASP H H 74 8.559 8.559 8.558 0.001 18229 10265 1 16 . 1 1 75 75 ASN N N 75 116.263 116.263 115.019 1.244 18229 10266 1 16 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.628 -0.093 18229 10267 1 16 . 1 1 75 75 ASN C C 75 175.944 175.944 174.668 1.276 18229 10268 1 16 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.247 1.630 18229 10269 1 16 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.812 -0.702 18229 10270 1 16 . 1 1 75 75 ASN H H 75 8.414 8.414 7.977 0.437 18229 10271 1 16 . 1 1 76 76 GLU N N 76 118.940 118.940 121.584 -2.644 18229 10272 1 16 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.545 -0.152 18229 10273 1 16 . 1 1 76 76 GLU C C 76 176.512 176.512 176.549 -0.037 18229 10274 1 16 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.370 0.796 18229 10275 1 16 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.108 0.902 18229 10276 1 16 . 1 1 76 76 GLU H H 76 8.133 8.133 8.360 -0.227 18229 10277 1 16 . 1 1 77 77 GLY N N 77 108.056 108.056 108.791 -0.735 18229 10278 1 16 . 1 1 77 77 GLY C C 77 174.193 174.193 174.765 -0.572 18229 10279 1 16 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.913 -0.626 18229 10280 1 16 . 1 1 77 77 GLY H H 77 8.083 8.083 7.749 0.334 18229 10281 1 16 . 1 1 78 78 ASN N N 78 119.896 119.896 117.850 2.046 18229 10282 1 16 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.682 0.060 18229 10283 1 16 . 1 1 78 78 ASN C C 78 175.006 175.006 174.209 0.797 18229 10284 1 16 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.849 -0.022 18229 10285 1 16 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.673 -0.677 18229 10286 1 16 . 1 1 78 78 ASN H H 78 8.537 8.537 8.149 0.388 18229 10287 1 16 . 1 1 79 79 GLU N N 79 121.648 121.648 118.873 2.775 18229 10288 1 16 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.463 0.008 18229 10289 1 16 . 1 1 79 79 GLU C C 79 176.268 176.268 174.923 1.345 18229 10290 1 16 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.604 1.006 18229 10291 1 16 . 1 1 79 79 GLU CB C 79 30.307 30.307 31.111 -0.804 18229 10292 1 16 . 1 1 79 79 GLU H H 79 8.674 8.674 8.554 0.120 18229 10293 1 16 . 1 1 80 80 VAL N N 80 124.083 124.083 125.760 -1.677 18229 10294 1 16 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.290 -0.042 18229 10295 1 16 . 1 1 80 80 VAL C C 80 175.537 175.537 174.774 0.763 18229 10296 1 16 . 1 1 80 80 VAL CA C 80 61.465 61.465 60.742 0.723 18229 10297 1 16 . 1 1 80 80 VAL CB C 80 33.553 33.553 33.865 -0.312 18229 10298 1 16 . 1 1 80 80 VAL H H 80 8.554 8.554 9.104 -0.550 18229 10299 1 16 . 1 1 81 81 VAL N N 81 126.640 126.640 127.481 -0.841 18229 10300 1 16 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.364 0.063 18229 10301 1 16 . 1 1 81 81 VAL CA C 81 59.605 59.605 59.545 0.060 18229 10302 1 16 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.919 0.957 18229 10303 1 16 . 1 1 81 81 VAL H H 81 8.390 8.390 8.431 -0.041 18229 10304 1 16 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.308 0.119 18229 10305 1 16 . 1 1 82 82 PRO C C 82 176.034 176.034 176.144 -0.110 18229 10306 1 16 . 1 1 82 82 PRO CA C 82 62.710 62.710 62.931 -0.221 18229 10307 1 16 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.248 0.104 18229 10308 1 16 . 1 1 83 83 LYS N N 83 121.719 121.719 121.475 0.244 18229 10309 1 16 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.107 0.441 18229 10310 1 16 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.497 -1.641 18229 10311 1 16 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.738 0.592 18229 10312 1 16 . 1 1 83 83 LYS H H 83 8.308 8.308 8.217 0.091 18229 10313 1 16 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.514 -0.218 18229 10314 1 16 . 1 1 84 84 PRO C C 84 176.773 176.773 175.758 1.015 18229 10315 1 16 . 1 1 84 84 PRO CA C 84 62.556 62.556 61.976 0.580 18229 10316 1 16 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.557 0.061 18229 10317 1 16 . 1 1 85 85 GLN N N 85 121.395 121.395 119.377 2.018 18229 10318 1 16 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.329 -0.188 18229 10319 1 16 . 1 1 85 85 GLN C C 85 174.940 174.940 175.002 -0.062 18229 10320 1 16 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.417 0.645 18229 10321 1 16 . 1 1 85 85 GLN CB C 85 29.730 29.730 28.894 0.836 18229 10322 1 16 . 1 1 85 85 GLN H H 85 8.464 8.464 8.566 -0.102 18229 10323 1 16 . 1 1 86 86 ARG N N 86 121.035 121.035 123.595 -2.560 18229 10324 1 16 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.873 0.254 18229 10325 1 16 . 1 1 86 86 ARG C C 86 175.052 175.052 175.443 -0.391 18229 10326 1 16 . 1 1 86 86 ARG CA C 86 54.534 54.534 53.333 1.201 18229 10327 1 16 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.722 0.611 18229 10328 1 16 . 1 1 86 86 ARG H H 86 8.248 8.248 8.332 -0.084 18229 10329 1 16 . 1 1 87 87 HIS N N 87 120.780 120.780 121.168 -0.388 18229 10330 1 16 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.418 0.264 18229 10331 1 16 . 1 1 87 87 HIS C C 87 173.558 173.558 173.793 -0.235 18229 10332 1 16 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.776 -0.584 18229 10333 1 16 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.259 2.795 18229 10334 1 16 . 1 1 87 87 HIS H H 87 8.659 8.659 8.905 -0.246 18229 10335 1 16 . 1 1 88 88 MET N N 88 126.780 126.780 124.153 2.627 18229 10336 1 16 . 1 1 88 88 MET HA H 88 5.283 5.283 4.352 0.931 18229 10337 1 16 . 1 1 88 88 MET C C 88 173.297 173.297 173.576 -0.279 18229 10338 1 16 . 1 1 88 88 MET CA C 88 54.835 54.835 54.775 0.060 18229 10339 1 16 . 1 1 88 88 MET CB C 88 35.794 35.794 33.071 2.723 18229 10340 1 16 . 1 1 88 88 MET H H 88 8.710 8.710 8.378 0.332 18229 10341 1 16 . 1 1 89 89 PHE N N 89 122.543 122.543 126.569 -4.026 18229 10342 1 16 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.285 -0.090 18229 10343 1 16 . 1 1 89 89 PHE C C 89 174.410 174.410 175.124 -0.714 18229 10344 1 16 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.482 0.897 18229 10345 1 16 . 1 1 89 89 PHE CB C 89 44.189 44.189 40.559 3.630 18229 10346 1 16 . 1 1 89 89 PHE H H 89 8.969 8.969 9.368 -0.399 18229 10347 1 16 . 1 1 90 90 SER N N 90 116.192 116.192 120.182 -3.990 18229 10348 1 16 . 1 1 90 90 SER HA H 90 5.696 5.696 4.836 0.860 18229 10349 1 16 . 1 1 90 90 SER C C 90 173.030 173.030 173.747 -0.717 18229 10350 1 16 . 1 1 90 90 SER CA C 90 56.771 56.771 57.880 -1.109 18229 10351 1 16 . 1 1 90 90 SER CB C 90 64.961 64.961 63.546 1.415 18229 10352 1 16 . 1 1 90 90 SER H H 90 8.657 8.657 8.440 0.217 18229 10353 1 16 . 1 1 91 91 PHE N N 91 120.710 120.710 124.572 -3.862 18229 10354 1 16 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.611 0.276 18229 10355 1 16 . 1 1 91 91 PHE C C 91 174.442 174.442 175.603 -1.161 18229 10356 1 16 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.531 -1.106 18229 10357 1 16 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.848 2.544 18229 10358 1 16 . 1 1 91 91 PHE H H 91 9.001 9.001 8.609 0.392 18229 10359 1 16 . 1 1 92 92 ASN N N 92 115.967 115.967 119.004 -3.037 18229 10360 1 16 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.912 0.195 18229 10361 1 16 . 1 1 92 92 ASN C C 92 174.835 174.835 173.955 0.880 18229 10362 1 16 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.013 -0.762 18229 10363 1 16 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.490 0.399 18229 10364 1 16 . 1 1 92 92 ASN H H 92 9.093 9.093 9.154 -0.061 18229 10365 1 16 . 1 1 93 93 ASN N N 93 118.401 118.401 116.594 1.807 18229 10366 1 16 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.849 0.073 18229 10367 1 16 . 1 1 93 93 ASN C C 93 174.524 174.524 174.185 0.339 18229 10368 1 16 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.653 -0.640 18229 10369 1 16 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.347 1.414 18229 10370 1 16 . 1 1 93 93 ASN H H 93 7.252 7.252 7.888 -0.636 18229 10371 1 16 . 1 1 94 94 ARG N N 94 129.175 129.175 125.095 4.080 18229 10372 1 16 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.008 -0.143 18229 10373 1 16 . 1 1 94 94 ARG C C 94 176.797 176.797 177.687 -0.890 18229 10374 1 16 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.649 -0.166 18229 10375 1 16 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.213 -0.084 18229 10376 1 16 . 1 1 94 94 ARG H H 94 9.309 9.309 8.907 0.402 18229 10377 1 16 . 1 1 95 95 THR N N 95 115.594 115.594 114.136 1.458 18229 10378 1 16 . 1 1 95 95 THR HA H 95 4.021 4.021 4.009 0.012 18229 10379 1 16 . 1 1 95 95 THR C C 95 176.735 176.735 176.143 0.592 18229 10380 1 16 . 1 1 95 95 THR CA C 95 66.430 66.430 65.570 0.860 18229 10381 1 16 . 1 1 95 95 THR CB C 95 68.357 68.357 68.654 -0.297 18229 10382 1 16 . 1 1 95 95 THR H H 95 7.973 7.973 8.092 -0.119 18229 10383 1 16 . 1 1 96 96 VAL N N 96 121.833 121.833 121.730 0.103 18229 10384 1 16 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.748 0.035 18229 10385 1 16 . 1 1 96 96 VAL C C 96 177.561 177.561 177.913 -0.352 18229 10386 1 16 . 1 1 96 96 VAL CA C 96 66.125 66.125 65.667 0.458 18229 10387 1 16 . 1 1 96 96 VAL CB C 96 32.201 32.201 30.899 1.302 18229 10388 1 16 . 1 1 96 96 VAL H H 96 7.565 7.565 7.625 -0.060 18229 10389 1 16 . 1 1 97 97 MET N N 97 117.429 117.429 117.983 -0.554 18229 10390 1 16 . 1 1 97 97 MET HA H 97 4.551 4.551 3.253 1.298 18229 10391 1 16 . 1 1 97 97 MET C C 97 177.257 177.257 177.611 -0.354 18229 10392 1 16 . 1 1 97 97 MET CA C 97 59.753 59.753 58.440 1.313 18229 10393 1 16 . 1 1 97 97 MET CB C 97 32.515 32.515 31.276 1.239 18229 10394 1 16 . 1 1 97 97 MET H H 97 7.336 7.336 8.121 -0.785 18229 10395 1 16 . 1 1 98 98 ASP N N 98 118.159 118.159 118.993 -0.834 18229 10396 1 16 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.299 0.016 18229 10397 1 16 . 1 1 98 98 ASP C C 98 178.771 178.771 177.979 0.792 18229 10398 1 16 . 1 1 98 98 ASP CA C 98 57.604 57.604 56.988 0.616 18229 10399 1 16 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.437 -0.773 18229 10400 1 16 . 1 1 98 98 ASP H H 98 8.712 8.712 8.170 0.542 18229 10401 1 16 . 1 1 99 99 ASN N N 99 120.354 120.354 117.591 2.763 18229 10402 1 16 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.535 -0.055 18229 10403 1 16 . 1 1 99 99 ASN C C 99 178.232 178.232 177.240 0.992 18229 10404 1 16 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.743 0.557 18229 10405 1 16 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.491 -1.043 18229 10406 1 16 . 1 1 99 99 ASN H H 99 8.084 8.084 7.485 0.599 18229 10407 1 16 . 1 1 100 100 ILE N N 100 120.990 120.990 121.668 -0.678 18229 10408 1 16 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.770 -0.133 18229 10409 1 16 . 1 1 100 100 ILE C C 100 177.463 177.463 178.112 -0.649 18229 10410 1 16 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.917 -2.144 18229 10411 1 16 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.007 -1.540 18229 10412 1 16 . 1 1 100 100 ILE H H 100 8.017 8.017 8.659 -0.642 18229 10413 1 16 . 1 1 101 101 LYS N N 101 120.814 120.814 119.010 1.804 18229 10414 1 16 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.865 -0.230 18229 10415 1 16 . 1 1 101 101 LYS C C 101 177.365 177.365 179.188 -1.823 18229 10416 1 16 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.919 0.717 18229 10417 1 16 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.185 0.806 18229 10418 1 16 . 1 1 101 101 LYS H H 101 8.944 8.944 8.095 0.849 18229 10419 1 16 . 1 1 102 102 MET N N 102 116.514 116.514 116.758 -0.244 18229 10420 1 16 . 1 1 102 102 MET HA H 102 4.209 4.209 4.340 -0.131 18229 10421 1 16 . 1 1 102 102 MET C C 102 178.925 178.925 178.310 0.615 18229 10422 1 16 . 1 1 102 102 MET CA C 102 58.720 58.720 58.638 0.082 18229 10423 1 16 . 1 1 102 102 MET CB C 102 32.299 32.299 32.881 -0.582 18229 10424 1 16 . 1 1 102 102 MET H H 102 8.123 8.123 7.393 0.730 18229 10425 1 16 . 1 1 103 103 THR N N 103 118.583 118.583 117.150 1.433 18229 10426 1 16 . 1 1 103 103 THR HA H 103 3.882 3.882 4.525 -0.643 18229 10427 1 16 . 1 1 103 103 THR C C 103 176.474 176.474 176.900 -0.426 18229 10428 1 16 . 1 1 103 103 THR CA C 103 66.489 66.489 65.684 0.805 18229 10429 1 16 . 1 1 103 103 THR CB C 103 67.864 67.864 68.925 -1.061 18229 10430 1 16 . 1 1 103 103 THR H H 103 7.768 7.768 8.140 -0.372 18229 10431 1 16 . 1 1 104 104 LEU N N 104 119.575 119.575 121.472 -1.897 18229 10432 1 16 . 1 1 104 104 LEU HA H 104 3.882 3.882 4.004 -0.122 18229 10433 1 16 . 1 1 104 104 LEU C C 104 177.935 177.935 178.716 -0.781 18229 10434 1 16 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.373 -0.397 18229 10435 1 16 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.510 0.812 18229 10436 1 16 . 1 1 104 104 LEU H H 104 8.537 8.537 8.744 -0.207 18229 10437 1 16 . 1 1 105 105 GLN N N 105 119.463 119.463 117.661 1.802 18229 10438 1 16 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.888 -0.179 18229 10439 1 16 . 1 1 105 105 GLN C C 105 178.507 178.507 178.306 0.201 18229 10440 1 16 . 1 1 105 105 GLN CA C 105 59.740 59.740 59.131 0.609 18229 10441 1 16 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.296 0.343 18229 10442 1 16 . 1 1 105 105 GLN H H 105 8.736 8.736 7.725 1.011 18229 10443 1 16 . 1 1 106 106 GLN N N 106 118.984 118.984 116.755 2.229 18229 10444 1 16 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.026 -0.050 18229 10445 1 16 . 1 1 106 106 GLN C C 106 178.454 178.454 177.472 0.982 18229 10446 1 16 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.448 0.570 18229 10447 1 16 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.169 0.283 18229 10448 1 16 . 1 1 106 106 GLN H H 106 7.689 7.689 7.673 0.016 18229 10449 1 16 . 1 1 107 107 ILE N N 107 119.928 119.928 117.900 2.028 18229 10450 1 16 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.951 -0.488 18229 10451 1 16 . 1 1 107 107 ILE C C 107 177.492 177.492 177.937 -0.445 18229 10452 1 16 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.095 2.347 18229 10453 1 16 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.351 1.144 18229 10454 1 16 . 1 1 107 107 ILE H H 107 7.910 7.910 7.164 0.746 18229 10455 1 16 . 1 1 108 108 ILE N N 108 117.958 117.958 121.382 -3.424 18229 10456 1 16 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.446 2.313 18229 10457 1 16 . 1 1 108 108 ILE C C 108 178.625 178.625 177.822 0.803 18229 10458 1 16 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.616 0.963 18229 10459 1 16 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.528 1.724 18229 10460 1 16 . 1 1 108 108 ILE H H 108 8.767 8.767 7.904 0.863 18229 10461 1 16 . 1 1 109 109 SER N N 109 113.450 113.450 114.767 -1.317 18229 10462 1 16 . 1 1 109 109 SER HA H 109 4.271 4.271 3.945 0.326 18229 10463 1 16 . 1 1 109 109 SER C C 109 175.966 175.966 176.803 -0.837 18229 10464 1 16 . 1 1 109 109 SER CA C 109 62.205 62.205 61.446 0.759 18229 10465 1 16 . 1 1 109 109 SER CB C 109 63.094 63.094 62.443 0.651 18229 10466 1 16 . 1 1 109 109 SER H H 109 7.797 7.797 8.279 -0.482 18229 10467 1 16 . 1 1 110 110 ARG N N 110 120.739 120.739 120.898 -0.159 18229 10468 1 16 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.200 -0.081 18229 10469 1 16 . 1 1 110 110 ARG C C 110 179.056 179.056 178.908 0.148 18229 10470 1 16 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.644 0.176 18229 10471 1 16 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.220 -0.421 18229 10472 1 16 . 1 1 110 110 ARG H H 110 7.450 7.450 8.219 -0.769 18229 10473 1 16 . 1 1 111 111 TYR N N 111 117.972 117.972 119.274 -1.302 18229 10474 1 16 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.325 0.381 18229 10475 1 16 . 1 1 111 111 TYR C C 111 177.853 177.853 177.876 -0.023 18229 10476 1 16 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.170 0.443 18229 10477 1 16 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.415 -0.107 18229 10478 1 16 . 1 1 111 111 TYR H H 111 7.558 7.558 8.437 -0.879 18229 10479 1 16 . 1 1 112 112 LYS N N 112 120.615 120.615 118.536 2.079 18229 10480 1 16 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.169 0.212 18229 10481 1 16 . 1 1 112 112 LYS C C 112 177.893 177.893 177.927 -0.034 18229 10482 1 16 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.636 -0.047 18229 10483 1 16 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.004 0.599 18229 10484 1 16 . 1 1 112 112 LYS H H 112 8.080 8.080 7.519 0.561 18229 10485 1 16 . 1 1 113 113 ASP N N 113 120.325 120.325 119.812 0.513 18229 10486 1 16 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.469 0.175 18229 10487 1 16 . 1 1 113 113 ASP C C 113 176.950 176.950 177.372 -0.422 18229 10488 1 16 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.193 -0.930 18229 10489 1 16 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.748 0.143 18229 10490 1 16 . 1 1 113 113 ASP H H 113 8.191 8.191 8.357 -0.166 18229 10491 1 16 . 1 1 114 114 ALA N N 114 122.906 122.906 120.303 2.603 18229 10492 1 16 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.338 0.010 18229 10493 1 16 . 1 1 114 114 ALA C C 114 178.055 178.055 177.965 0.090 18229 10494 1 16 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.122 1.052 18229 10495 1 16 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.547 -0.447 18229 10496 1 16 . 1 1 114 114 ALA H H 114 7.900 7.900 7.612 0.288 18229 10497 1 17 . 1 1 2 2 SER N N 2 113.055 113.055 114.981 -1.926 18229 10498 1 17 . 1 1 2 2 SER HA H 2 4.418 4.418 4.435 -0.017 18229 10499 1 17 . 1 1 2 2 SER C C 2 174.994 174.994 174.105 0.889 18229 10500 1 17 . 1 1 2 2 SER CA C 2 58.540 58.540 58.704 -0.164 18229 10501 1 17 . 1 1 2 2 SER CB C 2 63.748 63.748 63.045 0.703 18229 10502 1 17 . 1 1 2 2 SER H H 2 8.061 8.061 8.376 -0.315 18229 10503 1 17 . 1 1 3 3 HIS N N 3 119.062 119.062 117.077 1.985 18229 10504 1 17 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.721 0.014 18229 10505 1 17 . 1 1 3 3 HIS C C 3 173.417 173.417 173.485 -0.068 18229 10506 1 17 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.511 -0.207 18229 10507 1 17 . 1 1 3 3 HIS CB C 3 29.547 29.547 30.669 -1.122 18229 10508 1 17 . 1 1 3 3 HIS H H 3 8.410 8.410 8.018 0.392 18229 10509 1 17 . 1 1 4 4 SER N N 4 113.520 113.520 113.746 -0.226 18229 10510 1 17 . 1 1 4 4 SER HA H 4 5.516 5.516 4.919 0.597 18229 10511 1 17 . 1 1 4 4 SER C C 4 173.602 173.602 172.904 0.698 18229 10512 1 17 . 1 1 4 4 SER CA C 4 57.005 57.005 57.686 -0.681 18229 10513 1 17 . 1 1 4 4 SER CB C 4 65.989 65.989 66.574 -0.585 18229 10514 1 17 . 1 1 4 4 SER H H 4 7.817 7.817 7.453 0.364 18229 10515 1 17 . 1 1 5 5 GLY N N 5 106.959 106.959 106.090 0.869 18229 10516 1 17 . 1 1 5 5 GLY C C 5 171.058 171.058 171.968 -0.910 18229 10517 1 17 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.718 -0.247 18229 10518 1 17 . 1 1 5 5 GLY H H 5 8.356 8.356 8.768 -0.412 18229 10519 1 17 . 1 1 6 6 ALA N N 6 125.264 125.264 123.583 1.681 18229 10520 1 17 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.510 0.451 18229 10521 1 17 . 1 1 6 6 ALA C C 6 176.831 176.831 175.784 1.047 18229 10522 1 17 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.677 1.068 18229 10523 1 17 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.142 -0.762 18229 10524 1 17 . 1 1 6 6 ALA H H 6 8.641 8.641 8.381 0.260 18229 10525 1 17 . 1 1 7 7 ALA N N 7 119.937 119.937 122.555 -2.618 18229 10526 1 17 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.471 0.184 18229 10527 1 17 . 1 1 7 7 ALA C C 7 176.683 176.683 175.675 1.008 18229 10528 1 17 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.748 0.997 18229 10529 1 17 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.520 1.518 18229 10530 1 17 . 1 1 7 7 ALA H H 7 8.370 8.370 7.791 0.579 18229 10531 1 17 . 1 1 8 8 ILE N N 8 125.430 125.430 119.602 5.828 18229 10532 1 17 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.247 -0.252 18229 10533 1 17 . 1 1 8 8 ILE C C 8 175.310 175.310 174.964 0.346 18229 10534 1 17 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.358 1.594 18229 10535 1 17 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.237 1.450 18229 10536 1 17 . 1 1 8 8 ILE H H 8 9.349 9.349 8.388 0.961 18229 10537 1 17 . 1 1 9 9 PHE N N 9 128.906 128.906 127.935 0.971 18229 10538 1 17 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.393 -0.101 18229 10539 1 17 . 1 1 9 9 PHE C C 9 173.925 173.925 174.594 -0.669 18229 10540 1 17 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.314 0.957 18229 10541 1 17 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.931 -0.364 18229 10542 1 17 . 1 1 9 9 PHE H H 9 8.450 8.450 8.709 -0.259 18229 10543 1 17 . 1 1 10 10 GLU N N 10 126.509 126.509 127.465 -0.956 18229 10544 1 17 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.763 -0.559 18229 10545 1 17 . 1 1 10 10 GLU C C 10 175.157 175.157 175.452 -0.295 18229 10546 1 17 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.091 -0.312 18229 10547 1 17 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.861 -1.412 18229 10548 1 17 . 1 1 10 10 GLU H H 10 8.749 8.749 8.710 0.039 18229 10549 1 17 . 1 1 11 11 LYS N N 11 105.729 105.729 111.248 -5.519 18229 10550 1 17 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.894 -0.491 18229 10551 1 17 . 1 1 11 11 LYS C C 11 175.543 175.543 175.429 0.114 18229 10552 1 17 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.821 0.733 18229 10553 1 17 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.626 -1.449 18229 10554 1 17 . 1 1 11 11 LYS H H 11 7.931 7.931 8.360 -0.429 18229 10555 1 17 . 1 1 12 12 VAL N N 12 123.753 123.753 121.021 2.732 18229 10556 1 17 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.306 0.111 18229 10557 1 17 . 1 1 12 12 VAL C C 12 175.120 175.120 175.493 -0.373 18229 10558 1 17 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.599 0.173 18229 10559 1 17 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.188 0.093 18229 10560 1 17 . 1 1 12 12 VAL H H 12 7.901 7.901 7.312 0.589 18229 10561 1 17 . 1 1 13 13 SER N N 13 121.941 121.941 120.767 1.174 18229 10562 1 17 . 1 1 13 13 SER HA H 13 4.627 4.627 5.060 -0.433 18229 10563 1 17 . 1 1 13 13 SER C C 13 175.339 175.339 173.938 1.401 18229 10564 1 17 . 1 1 13 13 SER CA C 13 59.813 59.813 58.125 1.688 18229 10565 1 17 . 1 1 13 13 SER CB C 13 63.763 63.763 64.213 -0.450 18229 10566 1 17 . 1 1 13 13 SER H H 13 8.876 8.876 8.759 0.117 18229 10567 1 17 . 1 1 14 14 GLY N N 14 113.199 113.199 113.985 -0.786 18229 10568 1 17 . 1 1 14 14 GLY C C 14 172.742 172.742 172.697 0.045 18229 10569 1 17 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.349 2.171 18229 10570 1 17 . 1 1 14 14 GLY H H 14 8.277 8.277 8.759 -0.482 18229 10571 1 17 . 1 1 15 15 ILE N N 15 123.240 123.240 120.226 3.014 18229 10572 1 17 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.449 0.361 18229 10573 1 17 . 1 1 15 15 ILE C C 15 175.370 175.370 173.697 1.673 18229 10574 1 17 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.817 0.503 18229 10575 1 17 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.002 0.604 18229 10576 1 17 . 1 1 15 15 ILE H H 15 8.298 8.298 8.290 0.008 18229 10577 1 17 . 1 1 16 16 ILE N N 16 127.865 127.865 126.445 1.420 18229 10578 1 17 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.568 0.432 18229 10579 1 17 . 1 1 16 16 ILE C C 16 173.119 173.119 174.064 -0.945 18229 10580 1 17 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.667 0.088 18229 10581 1 17 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.820 1.048 18229 10582 1 17 . 1 1 16 16 ILE H H 16 9.428 9.428 9.013 0.415 18229 10583 1 17 . 1 1 17 17 ALA N N 17 127.742 127.742 129.795 -2.053 18229 10584 1 17 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.879 0.195 18229 10585 1 17 . 1 1 17 17 ALA C C 17 176.203 176.203 176.068 0.135 18229 10586 1 17 . 1 1 17 17 ALA CA C 17 51.391 51.391 50.980 0.411 18229 10587 1 17 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.584 0.606 18229 10588 1 17 . 1 1 17 17 ALA H H 17 8.966 8.966 8.176 0.790 18229 10589 1 17 . 1 1 18 18 ILE N N 18 122.269 122.269 124.604 -2.335 18229 10590 1 17 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.183 0.438 18229 10591 1 17 . 1 1 18 18 ILE C C 18 174.306 174.306 175.569 -1.263 18229 10592 1 17 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.290 -0.790 18229 10593 1 17 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.299 -0.152 18229 10594 1 17 . 1 1 18 18 ILE H H 18 8.672 8.672 8.355 0.317 18229 10595 1 17 . 1 1 19 19 ASN N N 19 127.575 127.575 124.705 2.870 18229 10596 1 17 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.779 0.283 18229 10597 1 17 . 1 1 19 19 ASN C C 19 174.730 174.730 174.784 -0.054 18229 10598 1 17 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.251 -0.522 18229 10599 1 17 . 1 1 19 19 ASN CB C 19 39.496 39.496 40.074 -0.578 18229 10600 1 17 . 1 1 19 19 ASN H H 19 9.350 9.350 8.777 0.573 18229 10601 1 17 . 1 1 20 20 GLU N N 20 121.547 121.547 123.557 -2.010 18229 10602 1 17 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.177 0.500 18229 10603 1 17 . 1 1 20 20 GLU C C 20 176.091 176.091 176.071 0.020 18229 10604 1 17 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.552 -1.750 18229 10605 1 17 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.746 0.926 18229 10606 1 17 . 1 1 20 20 GLU H H 20 9.037 9.037 8.277 0.760 18229 10607 1 17 . 1 1 21 21 ASP N N 21 121.086 121.086 118.114 2.972 18229 10608 1 17 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.607 0.022 18229 10609 1 17 . 1 1 21 21 ASP C C 21 175.651 175.651 176.372 -0.721 18229 10610 1 17 . 1 1 21 21 ASP CA C 21 55.499 55.499 55.268 0.231 18229 10611 1 17 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.715 -0.165 18229 10612 1 17 . 1 1 21 21 ASP H H 21 8.706 8.706 8.383 0.323 18229 10613 1 17 . 1 1 22 22 VAL N N 22 113.108 113.108 117.268 -4.160 18229 10614 1 17 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.245 0.071 18229 10615 1 17 . 1 1 22 22 VAL C C 22 173.407 173.407 175.009 -1.602 18229 10616 1 17 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.149 -0.996 18229 10617 1 17 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.425 0.604 18229 10618 1 17 . 1 1 22 22 VAL H H 22 6.819 6.819 7.290 -0.471 18229 10619 1 17 . 1 1 23 23 SER N N 23 115.009 115.009 113.720 1.289 18229 10620 1 17 . 1 1 23 23 SER HA H 23 4.735 4.735 4.629 0.106 18229 10621 1 17 . 1 1 23 23 SER CA C 23 53.848 53.848 57.206 -3.358 18229 10622 1 17 . 1 1 23 23 SER CB C 23 64.810 64.810 63.270 1.540 18229 10623 1 17 . 1 1 23 23 SER H H 23 8.032 8.032 7.996 0.036 18229 10624 1 17 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.400 0.384 18229 10625 1 17 . 1 1 24 24 PRO C C 24 174.825 174.825 176.029 -1.204 18229 10626 1 17 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.633 0.214 18229 10627 1 17 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.446 2.355 18229 10628 1 17 . 1 1 25 25 ALA N N 25 120.477 120.477 121.758 -1.281 18229 10629 1 17 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.337 0.178 18229 10630 1 17 . 1 1 25 25 ALA C C 25 175.878 175.878 176.597 -0.719 18229 10631 1 17 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.170 0.438 18229 10632 1 17 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.056 0.398 18229 10633 1 17 . 1 1 25 25 ALA H H 25 8.013 8.013 8.194 -0.181 18229 10634 1 17 . 1 1 26 26 GLU N N 26 115.417 115.417 114.564 0.853 18229 10635 1 17 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.205 -0.134 18229 10636 1 17 . 1 1 26 26 GLU C C 26 174.599 174.599 174.968 -0.369 18229 10637 1 17 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.654 -1.667 18229 10638 1 17 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.556 1.709 18229 10639 1 17 . 1 1 26 26 GLU H H 26 7.821 7.821 7.952 -0.131 18229 10640 1 17 . 1 1 27 27 LEU N N 27 124.622 124.622 121.226 3.396 18229 10641 1 17 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.380 -0.342 18229 10642 1 17 . 1 1 27 27 LEU C C 27 174.704 174.704 175.689 -0.985 18229 10643 1 17 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.184 0.573 18229 10644 1 17 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.842 0.804 18229 10645 1 17 . 1 1 27 27 LEU H H 27 8.863 8.863 9.116 -0.253 18229 10646 1 17 . 1 1 28 28 THR N N 28 121.755 121.755 118.137 3.618 18229 10647 1 17 . 1 1 28 28 THR HA H 28 5.152 5.152 5.064 0.088 18229 10648 1 17 . 1 1 28 28 THR C C 28 172.573 172.573 173.315 -0.742 18229 10649 1 17 . 1 1 28 28 THR CA C 28 61.452 61.452 61.990 -0.538 18229 10650 1 17 . 1 1 28 28 THR CB C 28 71.480 71.480 69.784 1.696 18229 10651 1 17 . 1 1 28 28 THR H H 28 9.276 9.276 8.920 0.356 18229 10652 1 17 . 1 1 29 29 TRP N N 29 128.764 128.764 130.896 -2.132 18229 10653 1 17 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.036 0.412 18229 10654 1 17 . 1 1 29 29 TRP C C 29 173.881 173.881 174.262 -0.381 18229 10655 1 17 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.201 -0.411 18229 10656 1 17 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.145 1.185 18229 10657 1 17 . 1 1 29 29 TRP H H 29 9.383 9.383 9.578 -0.195 18229 10658 1 17 . 1 1 30 30 ARG N N 30 126.417 126.417 129.791 -3.374 18229 10659 1 17 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.643 0.164 18229 10660 1 17 . 1 1 30 30 ARG C C 30 174.712 174.712 175.655 -0.943 18229 10661 1 17 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.795 -0.327 18229 10662 1 17 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.769 0.049 18229 10663 1 17 . 1 1 30 30 ARG H H 30 7.579 7.579 9.175 -1.596 18229 10664 1 17 . 1 1 31 31 SER N N 31 118.415 118.415 121.949 -3.534 18229 10665 1 17 . 1 1 31 31 SER HA H 31 4.480 4.480 3.723 0.757 18229 10666 1 17 . 1 1 31 31 SER C C 31 176.360 176.360 175.020 1.340 18229 10667 1 17 . 1 1 31 31 SER CA C 31 58.070 58.070 60.370 -2.300 18229 10668 1 17 . 1 1 31 31 SER CB C 31 64.272 64.272 63.614 0.658 18229 10669 1 17 . 1 1 31 31 SER H H 31 8.078 8.078 8.648 -0.570 18229 10670 1 17 . 1 1 32 32 THR N N 32 119.175 119.175 117.617 1.558 18229 10671 1 17 . 1 1 32 32 THR HA H 32 3.847 3.847 4.073 -0.226 18229 10672 1 17 . 1 1 32 32 THR C C 32 175.602 175.602 175.378 0.224 18229 10673 1 17 . 1 1 32 32 THR CA C 32 66.265 66.265 65.303 0.962 18229 10674 1 17 . 1 1 32 32 THR CB C 32 68.557 68.557 69.019 -0.462 18229 10675 1 17 . 1 1 32 32 THR H H 32 8.520 8.520 8.329 0.191 18229 10676 1 17 . 1 1 33 33 ASP N N 33 117.286 117.286 120.127 -2.841 18229 10677 1 17 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.623 -0.006 18229 10678 1 17 . 1 1 33 33 ASP C C 33 177.056 177.056 176.731 0.325 18229 10679 1 17 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.876 -0.651 18229 10680 1 17 . 1 1 33 33 ASP CB C 33 40.878 40.878 40.781 0.097 18229 10681 1 17 . 1 1 33 33 ASP H H 33 8.223 8.223 8.294 -0.071 18229 10682 1 17 . 1 1 34 34 GLY N N 34 109.197 109.197 107.648 1.549 18229 10683 1 17 . 1 1 34 34 GLY C C 34 173.762 173.762 174.058 -0.296 18229 10684 1 17 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.082 0.317 18229 10685 1 17 . 1 1 34 34 GLY H H 34 7.914 7.914 8.033 -0.119 18229 10686 1 17 . 1 1 35 35 ASP N N 35 118.081 118.081 119.545 -1.464 18229 10687 1 17 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.676 -0.158 18229 10688 1 17 . 1 1 35 35 ASP C C 35 175.366 175.366 176.991 -1.625 18229 10689 1 17 . 1 1 35 35 ASP CA C 35 54.860 54.860 56.025 -1.165 18229 10690 1 17 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.081 -0.108 18229 10691 1 17 . 1 1 35 35 ASP H H 35 8.238 8.238 8.619 -0.381 18229 10692 1 17 . 1 1 36 36 LYS N N 36 120.362 120.362 115.631 4.731 18229 10693 1 17 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.418 0.416 18229 10694 1 17 . 1 1 36 36 LYS C C 36 174.568 174.568 173.776 0.792 18229 10695 1 17 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.486 0.050 18229 10696 1 17 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.076 0.703 18229 10697 1 17 . 1 1 36 36 LYS H H 36 7.749 7.749 7.713 0.036 18229 10698 1 17 . 1 1 37 37 VAL N N 37 121.758 121.758 119.403 2.355 18229 10699 1 17 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.183 0.088 18229 10700 1 17 . 1 1 37 37 VAL C C 37 175.209 175.209 174.247 0.962 18229 10701 1 17 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.685 -0.422 18229 10702 1 17 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.459 0.524 18229 10703 1 17 . 1 1 37 37 VAL H H 37 8.526 8.526 8.421 0.105 18229 10704 1 17 . 1 1 38 38 HIS N N 38 126.087 126.087 126.341 -0.254 18229 10705 1 17 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.975 0.046 18229 10706 1 17 . 1 1 38 38 HIS C C 38 173.116 173.116 174.386 -1.270 18229 10707 1 17 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.694 1.114 18229 10708 1 17 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.364 0.619 18229 10709 1 17 . 1 1 38 38 HIS H H 38 9.633 9.633 9.580 0.053 18229 10710 1 17 . 1 1 39 39 THR N N 39 124.455 124.455 120.611 3.844 18229 10711 1 17 . 1 1 39 39 THR HA H 39 5.155 5.155 5.159 -0.004 18229 10712 1 17 . 1 1 39 39 THR C C 39 173.102 173.102 173.541 -0.439 18229 10713 1 17 . 1 1 39 39 THR CA C 39 61.637 61.637 61.964 -0.327 18229 10714 1 17 . 1 1 39 39 THR CB C 39 70.716 70.716 69.937 0.779 18229 10715 1 17 . 1 1 39 39 THR H H 39 8.415 8.415 8.617 -0.202 18229 10716 1 17 . 1 1 40 40 VAL N N 40 126.066 126.066 124.514 1.552 18229 10717 1 17 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.214 -0.261 18229 10718 1 17 . 1 1 40 40 VAL C C 40 174.693 174.693 173.859 0.834 18229 10719 1 17 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.571 -0.223 18229 10720 1 17 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.574 -2.300 18229 10721 1 17 . 1 1 40 40 VAL H H 40 9.387 9.387 9.283 0.104 18229 10722 1 17 . 1 1 41 41 VAL N N 41 129.775 129.775 128.443 1.332 18229 10723 1 17 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.558 -0.570 18229 10724 1 17 . 1 1 41 41 VAL C C 41 179.424 179.424 176.602 2.822 18229 10725 1 17 . 1 1 41 41 VAL CA C 41 63.744 63.744 59.560 4.184 18229 10726 1 17 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.585 0.366 18229 10727 1 17 . 1 1 41 41 VAL H H 41 9.021 9.021 8.724 0.297 18229 10728 1 17 . 1 1 42 42 LEU N N 42 129.645 129.645 128.392 1.253 18229 10729 1 17 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.064 -0.091 18229 10730 1 17 . 1 1 42 42 LEU C C 42 176.259 176.259 177.994 -1.735 18229 10731 1 17 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.723 0.920 18229 10732 1 17 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.214 -0.386 18229 10733 1 17 . 1 1 42 42 LEU H H 42 9.147 9.147 8.650 0.497 18229 10734 1 17 . 1 1 43 43 SER N N 43 110.158 110.158 111.949 -1.791 18229 10735 1 17 . 1 1 43 43 SER HA H 43 4.310 4.310 4.246 0.064 18229 10736 1 17 . 1 1 43 43 SER C C 43 175.263 175.263 175.866 -0.603 18229 10737 1 17 . 1 1 43 43 SER CA C 43 59.620 59.620 60.343 -0.723 18229 10738 1 17 . 1 1 43 43 SER CB C 43 61.543 61.543 63.467 -1.924 18229 10739 1 17 . 1 1 43 43 SER H H 43 7.006 7.006 8.121 -1.115 18229 10740 1 17 . 1 1 44 44 THR N N 44 110.206 110.206 113.602 -3.396 18229 10741 1 17 . 1 1 44 44 THR HA H 44 4.504 4.504 4.191 0.313 18229 10742 1 17 . 1 1 44 44 THR C C 44 173.489 173.489 176.034 -2.545 18229 10743 1 17 . 1 1 44 44 THR CA C 44 62.024 62.024 64.017 -1.993 18229 10744 1 17 . 1 1 44 44 THR CB C 44 69.805 69.805 68.918 0.887 18229 10745 1 17 . 1 1 44 44 THR H H 44 7.571 7.571 7.654 -0.083 18229 10746 1 17 . 1 1 45 45 ILE N N 45 120.322 120.322 122.955 -2.633 18229 10747 1 17 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.170 0.097 18229 10748 1 17 . 1 1 45 45 ILE C C 45 174.103 174.103 176.212 -2.109 18229 10749 1 17 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.571 -3.601 18229 10750 1 17 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.293 0.267 18229 10751 1 17 . 1 1 45 45 ILE H H 45 6.975 6.975 7.986 -1.011 18229 10752 1 17 . 1 1 46 46 ASP N N 46 126.492 126.492 128.134 -1.642 18229 10753 1 17 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.392 0.319 18229 10754 1 17 . 1 1 46 46 ASP C C 46 175.431 175.431 175.482 -0.051 18229 10755 1 17 . 1 1 46 46 ASP CA C 46 54.833 54.833 57.063 -2.230 18229 10756 1 17 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.831 2.704 18229 10757 1 17 . 1 1 46 46 ASP H H 46 9.262 9.262 8.899 0.363 18229 10758 1 17 . 1 1 47 47 LYS N N 47 112.726 112.726 112.705 0.021 18229 10759 1 17 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.475 0.232 18229 10760 1 17 . 1 1 47 47 LYS C C 47 172.673 172.673 173.999 -1.326 18229 10761 1 17 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.523 -0.702 18229 10762 1 17 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.345 2.264 18229 10763 1 17 . 1 1 47 47 LYS H H 47 7.572 7.572 7.368 0.204 18229 10764 1 17 . 1 1 48 48 LEU N N 48 124.840 124.840 122.966 1.874 18229 10765 1 17 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.975 0.076 18229 10766 1 17 . 1 1 48 48 LEU C C 48 173.965 173.965 175.690 -1.725 18229 10767 1 17 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.247 -1.227 18229 10768 1 17 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.145 2.419 18229 10769 1 17 . 1 1 48 48 LEU H H 48 9.013 9.013 8.432 0.581 18229 10770 1 17 . 1 1 49 49 GLN N N 49 121.648 121.648 126.485 -4.837 18229 10771 1 17 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.730 0.788 18229 10772 1 17 . 1 1 49 49 GLN C C 49 174.700 174.700 173.859 0.841 18229 10773 1 17 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.339 -0.740 18229 10774 1 17 . 1 1 49 49 GLN CB C 49 34.026 34.026 33.101 0.925 18229 10775 1 17 . 1 1 49 49 GLN H H 49 9.260 9.260 9.378 -0.118 18229 10776 1 17 . 1 1 50 50 ALA N N 50 122.020 122.020 124.851 -2.831 18229 10777 1 17 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.224 0.523 18229 10778 1 17 . 1 1 50 50 ALA C C 50 177.167 177.167 176.059 1.108 18229 10779 1 17 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.103 -0.511 18229 10780 1 17 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.243 2.120 18229 10781 1 17 . 1 1 50 50 ALA H H 50 9.286 9.286 8.400 0.886 18229 10782 1 17 . 1 1 51 51 THR N N 51 114.222 114.222 115.777 -1.555 18229 10783 1 17 . 1 1 51 51 THR HA H 51 4.735 4.735 4.333 0.402 18229 10784 1 17 . 1 1 51 51 THR CA C 51 59.228 59.228 61.264 -2.035 18229 10785 1 17 . 1 1 51 51 THR CB C 51 67.954 67.954 68.566 -0.612 18229 10786 1 17 . 1 1 51 51 THR H H 51 8.340 8.340 8.705 -0.365 18229 10787 1 17 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.460 0.110 18229 10788 1 17 . 1 1 52 52 PRO C C 52 178.621 178.621 177.300 1.321 18229 10789 1 17 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.256 0.172 18229 10790 1 17 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.180 0.539 18229 10791 1 17 . 1 1 53 53 ALA N N 53 126.566 126.566 121.940 4.626 18229 10792 1 17 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.121 -0.066 18229 10793 1 17 . 1 1 53 53 ALA C C 53 177.578 177.578 178.336 -0.758 18229 10794 1 17 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.208 0.612 18229 10795 1 17 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.616 -0.758 18229 10796 1 17 . 1 1 53 53 ALA H H 53 9.109 9.109 8.319 0.790 18229 10797 1 17 . 1 1 54 54 SER N N 54 107.184 107.184 112.868 -5.684 18229 10798 1 17 . 1 1 54 54 SER HA H 54 4.235 4.235 4.491 -0.256 18229 10799 1 17 . 1 1 54 54 SER C C 54 174.838 174.838 173.774 1.064 18229 10800 1 17 . 1 1 54 54 SER CA C 54 58.116 58.116 58.153 -0.037 18229 10801 1 17 . 1 1 54 54 SER CB C 54 63.021 63.021 63.121 -0.100 18229 10802 1 17 . 1 1 54 54 SER H H 54 7.595 7.595 7.985 -0.390 18229 10803 1 17 . 1 1 55 55 SER N N 55 117.098 117.098 117.266 -0.168 18229 10804 1 17 . 1 1 55 55 SER HA H 55 4.484 4.484 4.544 -0.060 18229 10805 1 17 . 1 1 55 55 SER C C 55 174.833 174.833 175.149 -0.316 18229 10806 1 17 . 1 1 55 55 SER CA C 55 57.510 57.510 58.111 -0.601 18229 10807 1 17 . 1 1 55 55 SER CB C 55 64.121 64.121 63.928 0.193 18229 10808 1 17 . 1 1 55 55 SER H H 55 7.613 7.613 7.781 -0.168 18229 10809 1 17 . 1 1 56 56 GLU N N 56 125.258 125.258 124.377 0.881 18229 10810 1 17 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.059 0.070 18229 10811 1 17 . 1 1 56 56 GLU C C 56 177.852 177.852 175.912 1.940 18229 10812 1 17 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.749 -1.137 18229 10813 1 17 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.853 -0.429 18229 10814 1 17 . 1 1 56 56 GLU H H 56 8.849 8.849 8.918 -0.069 18229 10815 1 17 . 1 1 57 57 LYS N N 57 119.058 119.058 114.345 4.713 18229 10816 1 17 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.816 -0.517 18229 10817 1 17 . 1 1 57 57 LYS C C 57 175.699 175.699 175.023 0.676 18229 10818 1 17 . 1 1 57 57 LYS CA C 57 55.645 55.645 54.143 1.502 18229 10819 1 17 . 1 1 57 57 LYS CB C 57 33.270 33.270 34.933 -1.663 18229 10820 1 17 . 1 1 57 57 LYS H H 57 8.060 8.060 7.339 0.721 18229 10821 1 17 . 1 1 58 58 MET N N 58 123.967 123.967 119.609 4.358 18229 10822 1 17 . 1 1 58 58 MET HA H 58 4.345 4.345 4.925 -0.580 18229 10823 1 17 . 1 1 58 58 MET C C 58 174.213 174.213 175.505 -1.292 18229 10824 1 17 . 1 1 58 58 MET CA C 58 55.170 55.170 54.932 0.238 18229 10825 1 17 . 1 1 58 58 MET CB C 58 35.330 35.330 34.400 0.930 18229 10826 1 17 . 1 1 58 58 MET H H 58 8.828 8.828 8.773 0.055 18229 10827 1 17 . 1 1 59 59 MET N N 59 120.929 120.929 120.999 -0.070 18229 10828 1 17 . 1 1 59 59 MET HA H 59 5.905 5.905 5.346 0.559 18229 10829 1 17 . 1 1 59 59 MET C C 59 174.521 174.521 174.007 0.514 18229 10830 1 17 . 1 1 59 59 MET CA C 59 55.038 55.038 55.454 -0.416 18229 10831 1 17 . 1 1 59 59 MET CB C 59 39.549 39.549 37.557 1.992 18229 10832 1 17 . 1 1 59 59 MET H H 59 8.528 8.528 9.468 -0.940 18229 10833 1 17 . 1 1 60 60 LEU N N 60 117.623 117.623 122.024 -4.401 18229 10834 1 17 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.104 0.561 18229 10835 1 17 . 1 1 60 60 LEU C C 60 175.763 175.763 175.205 0.558 18229 10836 1 17 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.775 -0.590 18229 10837 1 17 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.126 2.435 18229 10838 1 17 . 1 1 60 60 LEU H H 60 9.052 9.052 9.567 -0.515 18229 10839 1 17 . 1 1 61 61 ARG N N 61 120.407 120.407 121.644 -1.237 18229 10840 1 17 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.719 -0.248 18229 10841 1 17 . 1 1 61 61 ARG C C 61 173.286 173.286 173.966 -0.680 18229 10842 1 17 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.384 0.547 18229 10843 1 17 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.535 -0.200 18229 10844 1 17 . 1 1 61 61 ARG H H 61 9.180 9.180 9.518 -0.338 18229 10845 1 17 . 1 1 62 62 LEU N N 62 126.471 126.471 125.361 1.110 18229 10846 1 17 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.244 -0.046 18229 10847 1 17 . 1 1 62 62 LEU C C 62 175.447 175.447 176.137 -0.690 18229 10848 1 17 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.336 0.072 18229 10849 1 17 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.902 -1.469 18229 10850 1 17 . 1 1 62 62 LEU H H 62 9.203 9.203 9.112 0.091 18229 10851 1 17 . 1 1 63 63 ILE N N 63 123.282 123.282 123.510 -0.228 18229 10852 1 17 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.218 0.479 18229 10853 1 17 . 1 1 63 63 ILE C C 63 176.525 176.525 176.269 0.256 18229 10854 1 17 . 1 1 63 63 ILE CA C 63 59.676 59.676 60.047 -0.371 18229 10855 1 17 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.485 0.220 18229 10856 1 17 . 1 1 63 63 ILE H H 63 8.983 8.983 8.787 0.196 18229 10857 1 17 . 1 1 64 64 GLY N N 64 115.647 115.647 109.880 5.767 18229 10858 1 17 . 1 1 64 64 GLY C C 64 172.300 172.300 172.896 -0.596 18229 10859 1 17 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.600 2.062 18229 10860 1 17 . 1 1 64 64 GLY H H 64 9.372 9.372 8.302 1.070 18229 10861 1 17 . 1 1 65 65 LYS N N 65 119.107 119.107 122.275 -3.168 18229 10862 1 17 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.337 -0.031 18229 10863 1 17 . 1 1 65 65 LYS C C 65 177.404 177.404 176.155 1.249 18229 10864 1 17 . 1 1 65 65 LYS CA C 65 56.501 56.501 56.571 -0.070 18229 10865 1 17 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.639 1.779 18229 10866 1 17 . 1 1 65 65 LYS H H 65 8.289 8.289 8.031 0.258 18229 10867 1 17 . 1 1 66 66 VAL N N 66 122.231 122.231 123.443 -1.212 18229 10868 1 17 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.171 -0.092 18229 10869 1 17 . 1 1 66 66 VAL C C 66 175.253 175.253 175.505 -0.252 18229 10870 1 17 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.209 0.928 18229 10871 1 17 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.455 -0.171 18229 10872 1 17 . 1 1 66 66 VAL H H 66 8.607 8.607 8.375 0.232 18229 10873 1 17 . 1 1 67 67 ASP N N 67 125.538 125.538 124.542 0.996 18229 10874 1 17 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.780 -0.081 18229 10875 1 17 . 1 1 67 67 ASP C C 67 176.601 176.601 176.303 0.298 18229 10876 1 17 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.196 -0.138 18229 10877 1 17 . 1 1 67 67 ASP CB C 67 40.872 40.872 39.219 1.653 18229 10878 1 17 . 1 1 67 67 ASP H H 67 8.457 8.457 8.723 -0.266 18229 10879 1 17 . 1 1 68 68 GLU N N 68 124.433 124.433 121.323 3.110 18229 10880 1 17 . 1 1 68 68 GLU HA H 68 4.124 4.124 3.985 0.139 18229 10881 1 17 . 1 1 68 68 GLU C C 68 177.344 177.344 176.908 0.436 18229 10882 1 17 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.719 -1.085 18229 10883 1 17 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.358 0.322 18229 10884 1 17 . 1 1 68 68 GLU H H 68 8.712 8.712 8.096 0.616 18229 10885 1 17 . 1 1 69 69 SER N N 69 115.596 115.596 113.206 2.390 18229 10886 1 17 . 1 1 69 69 SER HA H 69 4.328 4.328 4.326 0.002 18229 10887 1 17 . 1 1 69 69 SER C C 69 175.180 175.180 175.183 -0.003 18229 10888 1 17 . 1 1 69 69 SER CA C 69 60.146 60.146 60.313 -0.167 18229 10889 1 17 . 1 1 69 69 SER CB C 69 63.383 63.383 62.942 0.441 18229 10890 1 17 . 1 1 69 69 SER H H 69 8.467 8.467 8.228 0.239 18229 10891 1 17 . 1 1 70 70 LYS N N 70 121.738 121.738 120.398 1.340 18229 10892 1 17 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.176 0.230 18229 10893 1 17 . 1 1 70 70 LYS C C 70 176.165 176.165 176.500 -0.335 18229 10894 1 17 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.647 -1.236 18229 10895 1 17 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.886 -0.386 18229 10896 1 17 . 1 1 70 70 LYS H H 70 7.675 7.675 7.814 -0.139 18229 10897 1 17 . 1 1 71 71 LYS N N 71 121.087 121.087 117.008 4.079 18229 10898 1 17 . 1 1 71 71 LYS HA H 71 4.408 4.408 3.989 0.419 18229 10899 1 17 . 1 1 71 71 LYS C C 71 176.134 176.134 174.940 1.194 18229 10900 1 17 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.794 -0.189 18229 10901 1 17 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.194 2.090 18229 10902 1 17 . 1 1 71 71 LYS H H 71 7.739 7.739 8.241 -0.502 18229 10903 1 17 . 1 1 72 72 ARG N N 72 122.147 122.147 121.338 0.809 18229 10904 1 17 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.608 -0.024 18229 10905 1 17 . 1 1 72 72 ARG C C 72 175.217 175.217 176.039 -0.822 18229 10906 1 17 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.271 0.770 18229 10907 1 17 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.306 1.048 18229 10908 1 17 . 1 1 72 72 ARG H H 72 8.402 8.402 8.806 -0.404 18229 10909 1 17 . 1 1 73 73 LYS N N 73 121.242 121.242 124.954 -3.712 18229 10910 1 17 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.193 0.706 18229 10911 1 17 . 1 1 73 73 LYS C C 73 176.966 176.966 175.864 1.102 18229 10912 1 17 . 1 1 73 73 LYS CA C 73 55.365 55.365 56.840 -1.475 18229 10913 1 17 . 1 1 73 73 LYS CB C 73 34.631 34.631 33.043 1.588 18229 10914 1 17 . 1 1 73 73 LYS H H 73 8.386 8.386 8.680 -0.294 18229 10915 1 17 . 1 1 74 74 ASP N N 74 122.007 122.007 120.208 1.799 18229 10916 1 17 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.644 0.007 18229 10917 1 17 . 1 1 74 74 ASP C C 74 177.401 177.401 177.116 0.285 18229 10918 1 17 . 1 1 74 74 ASP CA C 74 52.840 52.840 56.209 -3.369 18229 10919 1 17 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.593 -0.585 18229 10920 1 17 . 1 1 74 74 ASP H H 74 8.559 8.559 8.479 0.080 18229 10921 1 17 . 1 1 75 75 ASN N N 75 116.263 116.263 115.313 0.950 18229 10922 1 17 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.684 -0.149 18229 10923 1 17 . 1 1 75 75 ASN C C 75 175.944 175.944 174.950 0.994 18229 10924 1 17 . 1 1 75 75 ASN CA C 75 54.877 54.877 53.202 1.675 18229 10925 1 17 . 1 1 75 75 ASN CB C 75 38.110 38.110 39.111 -1.001 18229 10926 1 17 . 1 1 75 75 ASN H H 75 8.414 8.414 8.062 0.352 18229 10927 1 17 . 1 1 76 76 GLU N N 76 118.940 118.940 120.912 -1.972 18229 10928 1 17 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.527 -0.134 18229 10929 1 17 . 1 1 76 76 GLU C C 76 176.512 176.512 176.184 0.328 18229 10930 1 17 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.637 0.529 18229 10931 1 17 . 1 1 76 76 GLU CB C 76 30.010 30.010 30.001 0.009 18229 10932 1 17 . 1 1 76 76 GLU H H 76 8.133 8.133 8.316 -0.183 18229 10933 1 17 . 1 1 77 77 GLY N N 77 108.056 108.056 108.622 -0.566 18229 10934 1 17 . 1 1 77 77 GLY C C 77 174.193 174.193 174.419 -0.226 18229 10935 1 17 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.641 -0.354 18229 10936 1 17 . 1 1 77 77 GLY H H 77 8.083 8.083 8.097 -0.014 18229 10937 1 17 . 1 1 78 78 ASN N N 78 119.896 119.896 118.267 1.629 18229 10938 1 17 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.701 0.041 18229 10939 1 17 . 1 1 78 78 ASN C C 78 175.006 175.006 175.303 -0.297 18229 10940 1 17 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.846 -0.019 18229 10941 1 17 . 1 1 78 78 ASN CB C 78 38.996 38.996 38.794 0.202 18229 10942 1 17 . 1 1 78 78 ASN H H 78 8.537 8.537 8.247 0.290 18229 10943 1 17 . 1 1 79 79 GLU N N 79 121.648 121.648 118.421 3.227 18229 10944 1 17 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.012 0.459 18229 10945 1 17 . 1 1 79 79 GLU C C 79 176.268 176.268 174.920 1.348 18229 10946 1 17 . 1 1 79 79 GLU CA C 79 56.610 56.610 56.999 -0.389 18229 10947 1 17 . 1 1 79 79 GLU CB C 79 30.307 30.307 29.486 0.821 18229 10948 1 17 . 1 1 79 79 GLU H H 79 8.674 8.674 8.006 0.668 18229 10949 1 17 . 1 1 80 80 VAL N N 80 124.083 124.083 124.741 -0.658 18229 10950 1 17 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.340 -0.092 18229 10951 1 17 . 1 1 80 80 VAL C C 80 175.537 175.537 174.674 0.863 18229 10952 1 17 . 1 1 80 80 VAL CA C 80 61.465 61.465 60.799 0.666 18229 10953 1 17 . 1 1 80 80 VAL CB C 80 33.553 33.553 33.946 -0.393 18229 10954 1 17 . 1 1 80 80 VAL H H 80 8.554 8.554 8.718 -0.164 18229 10955 1 17 . 1 1 81 81 VAL N N 81 126.640 126.640 127.570 -0.930 18229 10956 1 17 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.398 0.029 18229 10957 1 17 . 1 1 81 81 VAL CA C 81 59.605 59.605 58.528 1.077 18229 10958 1 17 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.328 1.548 18229 10959 1 17 . 1 1 81 81 VAL H H 81 8.390 8.390 8.573 -0.183 18229 10960 1 17 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.326 0.101 18229 10961 1 17 . 1 1 82 82 PRO C C 82 176.034 176.034 176.407 -0.373 18229 10962 1 17 . 1 1 82 82 PRO CA C 82 62.710 62.710 62.964 -0.254 18229 10963 1 17 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.083 0.269 18229 10964 1 17 . 1 1 83 83 LYS N N 83 121.719 121.719 121.717 0.002 18229 10965 1 17 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.176 0.372 18229 10966 1 17 . 1 1 83 83 LYS CA C 83 53.856 53.856 55.322 -1.466 18229 10967 1 17 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.762 0.568 18229 10968 1 17 . 1 1 83 83 LYS H H 83 8.308 8.308 8.176 0.132 18229 10969 1 17 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.532 -0.236 18229 10970 1 17 . 1 1 84 84 PRO C C 84 176.773 176.773 175.948 0.825 18229 10971 1 17 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.180 0.376 18229 10972 1 17 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.535 0.083 18229 10973 1 17 . 1 1 85 85 GLN N N 85 121.395 121.395 120.277 1.118 18229 10974 1 17 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.322 -0.181 18229 10975 1 17 . 1 1 85 85 GLN C C 85 174.940 174.940 175.094 -0.154 18229 10976 1 17 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.833 0.229 18229 10977 1 17 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.414 0.316 18229 10978 1 17 . 1 1 85 85 GLN H H 85 8.464 8.464 8.537 -0.073 18229 10979 1 17 . 1 1 86 86 ARG N N 86 121.035 121.035 123.067 -2.032 18229 10980 1 17 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.833 0.294 18229 10981 1 17 . 1 1 86 86 ARG C C 86 175.052 175.052 175.693 -0.641 18229 10982 1 17 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.478 0.056 18229 10983 1 17 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.798 0.535 18229 10984 1 17 . 1 1 86 86 ARG H H 86 8.248 8.248 8.436 -0.188 18229 10985 1 17 . 1 1 87 87 HIS N N 87 120.780 120.780 121.931 -1.151 18229 10986 1 17 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.551 0.132 18229 10987 1 17 . 1 1 87 87 HIS C C 87 173.558 173.558 173.565 -0.007 18229 10988 1 17 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.755 -0.563 18229 10989 1 17 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.392 2.662 18229 10990 1 17 . 1 1 87 87 HIS H H 87 8.659 8.659 9.138 -0.479 18229 10991 1 17 . 1 1 88 88 MET N N 88 126.780 126.780 123.721 3.059 18229 10992 1 17 . 1 1 88 88 MET HA H 88 5.283 5.283 4.361 0.922 18229 10993 1 17 . 1 1 88 88 MET C C 88 173.297 173.297 173.517 -0.220 18229 10994 1 17 . 1 1 88 88 MET CA C 88 54.835 54.835 55.083 -0.248 18229 10995 1 17 . 1 1 88 88 MET CB C 88 35.794 35.794 34.364 1.430 18229 10996 1 17 . 1 1 88 88 MET H H 88 8.710 8.710 8.192 0.518 18229 10997 1 17 . 1 1 89 89 PHE N N 89 122.543 122.543 123.657 -1.114 18229 10998 1 17 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.378 -0.183 18229 10999 1 17 . 1 1 89 89 PHE C C 89 174.410 174.410 174.816 -0.406 18229 11000 1 17 . 1 1 89 89 PHE CA C 89 56.379 56.379 56.172 0.207 18229 11001 1 17 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.691 2.498 18229 11002 1 17 . 1 1 89 89 PHE H H 89 8.969 8.969 9.248 -0.279 18229 11003 1 17 . 1 1 90 90 SER N N 90 116.192 116.192 118.858 -2.666 18229 11004 1 17 . 1 1 90 90 SER HA H 90 5.696 5.696 4.841 0.855 18229 11005 1 17 . 1 1 90 90 SER C C 90 173.030 173.030 173.956 -0.926 18229 11006 1 17 . 1 1 90 90 SER CA C 90 56.771 56.771 57.577 -0.806 18229 11007 1 17 . 1 1 90 90 SER CB C 90 64.961 64.961 63.869 1.092 18229 11008 1 17 . 1 1 90 90 SER H H 90 8.657 8.657 8.519 0.138 18229 11009 1 17 . 1 1 91 91 PHE N N 91 120.710 120.710 126.813 -6.103 18229 11010 1 17 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.699 0.188 18229 11011 1 17 . 1 1 91 91 PHE C C 91 174.442 174.442 175.625 -1.183 18229 11012 1 17 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.301 -0.876 18229 11013 1 17 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.742 2.650 18229 11014 1 17 . 1 1 91 91 PHE H H 91 9.001 9.001 8.632 0.369 18229 11015 1 17 . 1 1 92 92 ASN N N 92 115.967 115.967 120.116 -4.149 18229 11016 1 17 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.823 0.284 18229 11017 1 17 . 1 1 92 92 ASN C C 92 174.835 174.835 173.573 1.262 18229 11018 1 17 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.097 -0.846 18229 11019 1 17 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.159 0.730 18229 11020 1 17 . 1 1 92 92 ASN H H 92 9.093 9.093 8.846 0.247 18229 11021 1 17 . 1 1 93 93 ASN N N 93 118.401 118.401 116.114 2.287 18229 11022 1 17 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.818 0.104 18229 11023 1 17 . 1 1 93 93 ASN C C 93 174.524 174.524 174.333 0.191 18229 11024 1 17 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.304 -0.291 18229 11025 1 17 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.017 1.744 18229 11026 1 17 . 1 1 93 93 ASN H H 93 7.252 7.252 7.905 -0.653 18229 11027 1 17 . 1 1 94 94 ARG N N 94 129.175 129.175 125.505 3.670 18229 11028 1 17 . 1 1 94 94 ARG HA H 94 3.865 3.865 3.987 -0.122 18229 11029 1 17 . 1 1 94 94 ARG C C 94 176.797 176.797 177.301 -0.504 18229 11030 1 17 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.372 0.111 18229 11031 1 17 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.000 0.129 18229 11032 1 17 . 1 1 94 94 ARG H H 94 9.309 9.309 9.015 0.294 18229 11033 1 17 . 1 1 95 95 THR N N 95 115.594 115.594 113.185 2.409 18229 11034 1 17 . 1 1 95 95 THR HA H 95 4.021 4.021 4.040 -0.019 18229 11035 1 17 . 1 1 95 95 THR C C 95 176.735 176.735 176.331 0.404 18229 11036 1 17 . 1 1 95 95 THR CA C 95 66.430 66.430 65.805 0.625 18229 11037 1 17 . 1 1 95 95 THR CB C 95 68.357 68.357 68.651 -0.294 18229 11038 1 17 . 1 1 95 95 THR H H 95 7.973 7.973 8.160 -0.187 18229 11039 1 17 . 1 1 96 96 VAL N N 96 121.833 121.833 121.950 -0.117 18229 11040 1 17 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.747 0.036 18229 11041 1 17 . 1 1 96 96 VAL C C 96 177.561 177.561 178.041 -0.480 18229 11042 1 17 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.194 -0.069 18229 11043 1 17 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.478 0.723 18229 11044 1 17 . 1 1 96 96 VAL H H 96 7.565 7.565 7.634 -0.069 18229 11045 1 17 . 1 1 97 97 MET N N 97 117.429 117.429 118.277 -0.848 18229 11046 1 17 . 1 1 97 97 MET HA H 97 4.551 4.551 3.368 1.183 18229 11047 1 17 . 1 1 97 97 MET C C 97 177.257 177.257 177.625 -0.368 18229 11048 1 17 . 1 1 97 97 MET CA C 97 59.753 59.753 58.447 1.306 18229 11049 1 17 . 1 1 97 97 MET CB C 97 32.515 32.515 31.401 1.114 18229 11050 1 17 . 1 1 97 97 MET H H 97 7.336 7.336 8.498 -1.162 18229 11051 1 17 . 1 1 98 98 ASP N N 98 118.159 118.159 120.036 -1.877 18229 11052 1 17 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.340 -0.025 18229 11053 1 17 . 1 1 98 98 ASP C C 98 178.771 178.771 178.734 0.037 18229 11054 1 17 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.084 0.520 18229 11055 1 17 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.177 -0.513 18229 11056 1 17 . 1 1 98 98 ASP H H 98 8.712 8.712 8.465 0.247 18229 11057 1 17 . 1 1 99 99 ASN N N 99 120.354 120.354 118.214 2.140 18229 11058 1 17 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.588 -0.108 18229 11059 1 17 . 1 1 99 99 ASN C C 99 178.232 178.232 177.363 0.869 18229 11060 1 17 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.419 0.881 18229 11061 1 17 . 1 1 99 99 ASN CB C 99 38.448 38.448 38.771 -0.323 18229 11062 1 17 . 1 1 99 99 ASN H H 99 8.084 8.084 7.595 0.489 18229 11063 1 17 . 1 1 100 100 ILE N N 100 120.990 120.990 121.983 -0.993 18229 11064 1 17 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.712 -0.075 18229 11065 1 17 . 1 1 100 100 ILE C C 100 177.463 177.463 177.666 -0.203 18229 11066 1 17 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.977 -2.204 18229 11067 1 17 . 1 1 100 100 ILE CB C 100 35.467 35.467 36.891 -1.424 18229 11068 1 17 . 1 1 100 100 ILE H H 100 8.017 8.017 8.853 -0.836 18229 11069 1 17 . 1 1 101 101 LYS N N 101 120.814 120.814 119.003 1.811 18229 11070 1 17 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.868 -0.233 18229 11071 1 17 . 1 1 101 101 LYS C C 101 177.365 177.365 179.096 -1.731 18229 11072 1 17 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.743 0.893 18229 11073 1 17 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.006 0.985 18229 11074 1 17 . 1 1 101 101 LYS H H 101 8.944 8.944 8.117 0.827 18229 11075 1 17 . 1 1 102 102 MET N N 102 116.514 116.514 116.362 0.152 18229 11076 1 17 . 1 1 102 102 MET HA H 102 4.209 4.209 4.512 -0.303 18229 11077 1 17 . 1 1 102 102 MET C C 102 178.925 178.925 178.582 0.343 18229 11078 1 17 . 1 1 102 102 MET CA C 102 58.720 58.720 58.507 0.213 18229 11079 1 17 . 1 1 102 102 MET CB C 102 32.299 32.299 32.797 -0.498 18229 11080 1 17 . 1 1 102 102 MET H H 102 8.123 8.123 7.435 0.688 18229 11081 1 17 . 1 1 103 103 THR N N 103 118.583 118.583 117.455 1.128 18229 11082 1 17 . 1 1 103 103 THR HA H 103 3.882 3.882 4.164 -0.282 18229 11083 1 17 . 1 1 103 103 THR C C 103 176.474 176.474 176.355 0.119 18229 11084 1 17 . 1 1 103 103 THR CA C 103 66.489 66.489 66.607 -0.118 18229 11085 1 17 . 1 1 103 103 THR CB C 103 67.864 67.864 68.757 -0.893 18229 11086 1 17 . 1 1 103 103 THR H H 103 7.768 7.768 8.201 -0.433 18229 11087 1 17 . 1 1 104 104 LEU N N 104 119.575 119.575 121.917 -2.342 18229 11088 1 17 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.955 -0.073 18229 11089 1 17 . 1 1 104 104 LEU C C 104 177.935 177.935 178.464 -0.529 18229 11090 1 17 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.800 -0.824 18229 11091 1 17 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.508 0.814 18229 11092 1 17 . 1 1 104 104 LEU H H 104 8.537 8.537 8.792 -0.255 18229 11093 1 17 . 1 1 105 105 GLN N N 105 119.463 119.463 116.892 2.571 18229 11094 1 17 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.831 -0.122 18229 11095 1 17 . 1 1 105 105 GLN C C 105 178.507 178.507 178.458 0.049 18229 11096 1 17 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.687 1.053 18229 11097 1 17 . 1 1 105 105 GLN CB C 105 28.639 28.639 27.783 0.856 18229 11098 1 17 . 1 1 105 105 GLN H H 105 8.736 8.736 7.799 0.937 18229 11099 1 17 . 1 1 106 106 GLN N N 106 118.984 118.984 118.425 0.559 18229 11100 1 17 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.066 -0.090 18229 11101 1 17 . 1 1 106 106 GLN C C 106 178.454 178.454 177.670 0.784 18229 11102 1 17 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.654 0.364 18229 11103 1 17 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.664 -0.212 18229 11104 1 17 . 1 1 106 106 GLN H H 106 7.689 7.689 7.646 0.043 18229 11105 1 17 . 1 1 107 107 ILE N N 107 119.928 119.928 117.430 2.498 18229 11106 1 17 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.978 -0.515 18229 11107 1 17 . 1 1 107 107 ILE C C 107 177.492 177.492 177.950 -0.458 18229 11108 1 17 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.480 1.962 18229 11109 1 17 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.663 0.832 18229 11110 1 17 . 1 1 107 107 ILE H H 107 7.910 7.910 7.320 0.590 18229 11111 1 17 . 1 1 108 108 ILE N N 108 117.958 117.958 121.673 -3.715 18229 11112 1 17 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.425 2.334 18229 11113 1 17 . 1 1 108 108 ILE C C 108 178.625 178.625 177.774 0.851 18229 11114 1 17 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.917 0.662 18229 11115 1 17 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.487 1.765 18229 11116 1 17 . 1 1 108 108 ILE H H 108 8.767 8.767 8.366 0.401 18229 11117 1 17 . 1 1 109 109 SER N N 109 113.450 113.450 115.121 -1.671 18229 11118 1 17 . 1 1 109 109 SER HA H 109 4.271 4.271 3.955 0.316 18229 11119 1 17 . 1 1 109 109 SER C C 109 175.966 175.966 176.614 -0.648 18229 11120 1 17 . 1 1 109 109 SER CA C 109 62.205 62.205 61.430 0.775 18229 11121 1 17 . 1 1 109 109 SER CB C 109 63.094 63.094 62.511 0.583 18229 11122 1 17 . 1 1 109 109 SER H H 109 7.797 7.797 8.339 -0.542 18229 11123 1 17 . 1 1 110 110 ARG N N 110 120.739 120.739 120.830 -0.091 18229 11124 1 17 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.163 -0.044 18229 11125 1 17 . 1 1 110 110 ARG C C 110 179.056 179.056 179.220 -0.164 18229 11126 1 17 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.812 0.008 18229 11127 1 17 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.209 -0.410 18229 11128 1 17 . 1 1 110 110 ARG H H 110 7.450 7.450 8.189 -0.739 18229 11129 1 17 . 1 1 111 111 TYR N N 111 117.972 117.972 119.274 -1.302 18229 11130 1 17 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.317 0.389 18229 11131 1 17 . 1 1 111 111 TYR C C 111 177.853 177.853 177.887 -0.034 18229 11132 1 17 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.192 0.421 18229 11133 1 17 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.400 -0.092 18229 11134 1 17 . 1 1 111 111 TYR H H 111 7.558 7.558 8.457 -0.899 18229 11135 1 17 . 1 1 112 112 LYS N N 112 120.615 120.615 118.038 2.577 18229 11136 1 17 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.173 0.208 18229 11137 1 17 . 1 1 112 112 LYS C C 112 177.893 177.893 178.003 -0.110 18229 11138 1 17 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.739 -0.150 18229 11139 1 17 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.055 0.548 18229 11140 1 17 . 1 1 112 112 LYS H H 112 8.080 8.080 7.539 0.541 18229 11141 1 17 . 1 1 113 113 ASP N N 113 120.325 120.325 119.883 0.442 18229 11142 1 17 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.471 0.173 18229 11143 1 17 . 1 1 113 113 ASP C C 113 176.950 176.950 177.070 -0.120 18229 11144 1 17 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.048 -0.785 18229 11145 1 17 . 1 1 113 113 ASP CB C 113 40.891 40.891 41.195 -0.304 18229 11146 1 17 . 1 1 113 113 ASP H H 113 8.191 8.191 8.269 -0.078 18229 11147 1 17 . 1 1 114 114 ALA N N 114 122.906 122.906 120.991 1.915 18229 11148 1 17 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.347 0.001 18229 11149 1 17 . 1 1 114 114 ALA C C 114 178.055 178.055 178.036 0.019 18229 11150 1 17 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.082 1.092 18229 11151 1 17 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.659 -0.559 18229 11152 1 17 . 1 1 114 114 ALA H H 114 7.900 7.900 7.667 0.233 18229 11153 1 18 . 1 1 2 2 SER N N 2 113.055 113.055 115.855 -2.800 18229 11154 1 18 . 1 1 2 2 SER HA H 2 4.418 4.418 4.473 -0.055 18229 11155 1 18 . 1 1 2 2 SER C C 2 174.994 174.994 174.768 0.226 18229 11156 1 18 . 1 1 2 2 SER CA C 2 58.540 58.540 58.951 -0.411 18229 11157 1 18 . 1 1 2 2 SER CB C 2 63.748 63.748 64.077 -0.329 18229 11158 1 18 . 1 1 2 2 SER H H 2 8.061 8.061 8.179 -0.118 18229 11159 1 18 . 1 1 3 3 HIS N N 3 119.062 119.062 120.518 -1.456 18229 11160 1 18 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.699 0.036 18229 11161 1 18 . 1 1 3 3 HIS C C 3 173.417 173.417 174.040 -0.623 18229 11162 1 18 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.938 -0.634 18229 11163 1 18 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.348 0.199 18229 11164 1 18 . 1 1 3 3 HIS H H 3 8.410 8.410 8.135 0.275 18229 11165 1 18 . 1 1 4 4 SER N N 4 113.520 113.520 113.690 -0.170 18229 11166 1 18 . 1 1 4 4 SER HA H 4 5.516 5.516 4.954 0.562 18229 11167 1 18 . 1 1 4 4 SER C C 4 173.602 173.602 172.924 0.678 18229 11168 1 18 . 1 1 4 4 SER CA C 4 57.005 57.005 57.455 -0.450 18229 11169 1 18 . 1 1 4 4 SER CB C 4 65.989 65.989 66.104 -0.115 18229 11170 1 18 . 1 1 4 4 SER H H 4 7.817 7.817 7.619 0.198 18229 11171 1 18 . 1 1 5 5 GLY N N 5 106.959 106.959 107.563 -0.604 18229 11172 1 18 . 1 1 5 5 GLY C C 5 171.058 171.058 172.142 -1.084 18229 11173 1 18 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.678 -0.207 18229 11174 1 18 . 1 1 5 5 GLY H H 5 8.356 8.356 8.964 -0.608 18229 11175 1 18 . 1 1 6 6 ALA N N 6 125.264 125.264 124.165 1.099 18229 11176 1 18 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.489 0.472 18229 11177 1 18 . 1 1 6 6 ALA C C 6 176.831 176.831 175.753 1.078 18229 11178 1 18 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.820 0.925 18229 11179 1 18 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.036 -0.656 18229 11180 1 18 . 1 1 6 6 ALA H H 6 8.641 8.641 8.560 0.081 18229 11181 1 18 . 1 1 7 7 ALA N N 7 119.937 119.937 122.816 -2.879 18229 11182 1 18 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.445 0.210 18229 11183 1 18 . 1 1 7 7 ALA C C 7 176.683 176.683 175.427 1.256 18229 11184 1 18 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.603 1.142 18229 11185 1 18 . 1 1 7 7 ALA CB C 7 24.037 24.037 21.666 2.371 18229 11186 1 18 . 1 1 7 7 ALA H H 7 8.370 8.370 7.717 0.653 18229 11187 1 18 . 1 1 8 8 ILE N N 8 125.430 125.430 119.411 6.019 18229 11188 1 18 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.264 -0.269 18229 11189 1 18 . 1 1 8 8 ILE C C 8 175.310 175.310 175.021 0.289 18229 11190 1 18 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.391 1.561 18229 11191 1 18 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.171 1.516 18229 11192 1 18 . 1 1 8 8 ILE H H 8 9.349 9.349 8.474 0.875 18229 11193 1 18 . 1 1 9 9 PHE N N 9 128.906 128.906 128.230 0.676 18229 11194 1 18 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.691 -0.399 18229 11195 1 18 . 1 1 9 9 PHE C C 9 173.925 173.925 175.115 -1.190 18229 11196 1 18 . 1 1 9 9 PHE CA C 9 56.271 56.271 54.097 2.174 18229 11197 1 18 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.657 -0.090 18229 11198 1 18 . 1 1 9 9 PHE H H 9 8.450 8.450 8.921 -0.471 18229 11199 1 18 . 1 1 10 10 GLU N N 10 126.509 126.509 127.786 -1.277 18229 11200 1 18 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.902 -0.698 18229 11201 1 18 . 1 1 10 10 GLU C C 10 175.157 175.157 175.210 -0.053 18229 11202 1 18 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.110 -0.331 18229 11203 1 18 . 1 1 10 10 GLU CB C 10 26.449 26.449 28.220 -1.771 18229 11204 1 18 . 1 1 10 10 GLU H H 10 8.749 8.749 9.341 -0.592 18229 11205 1 18 . 1 1 11 11 LYS N N 11 105.729 105.729 114.087 -8.358 18229 11206 1 18 . 1 1 11 11 LYS HA H 11 3.403 3.403 4.019 -0.616 18229 11207 1 18 . 1 1 11 11 LYS C C 11 175.543 175.543 175.415 0.128 18229 11208 1 18 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.682 0.872 18229 11209 1 18 . 1 1 11 11 LYS CB C 11 30.177 30.177 32.064 -1.887 18229 11210 1 18 . 1 1 11 11 LYS H H 11 7.931 7.931 8.493 -0.562 18229 11211 1 18 . 1 1 12 12 VAL N N 12 123.753 123.753 119.038 4.715 18229 11212 1 18 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.360 0.057 18229 11213 1 18 . 1 1 12 12 VAL C C 12 175.120 175.120 175.399 -0.279 18229 11214 1 18 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.313 0.459 18229 11215 1 18 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.668 -0.387 18229 11216 1 18 . 1 1 12 12 VAL H H 12 7.901 7.901 7.237 0.664 18229 11217 1 18 . 1 1 13 13 SER N N 13 121.941 121.941 118.578 3.363 18229 11218 1 18 . 1 1 13 13 SER HA H 13 4.627 4.627 5.069 -0.442 18229 11219 1 18 . 1 1 13 13 SER C C 13 175.339 175.339 174.172 1.167 18229 11220 1 18 . 1 1 13 13 SER CA C 13 59.813 59.813 57.161 2.652 18229 11221 1 18 . 1 1 13 13 SER CB C 13 63.763 63.763 64.671 -0.908 18229 11222 1 18 . 1 1 13 13 SER H H 13 8.876 8.876 8.598 0.278 18229 11223 1 18 . 1 1 14 14 GLY N N 14 113.199 113.199 113.361 -0.162 18229 11224 1 18 . 1 1 14 14 GLY C C 14 172.742 172.742 172.486 0.256 18229 11225 1 18 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.468 2.052 18229 11226 1 18 . 1 1 14 14 GLY H H 14 8.277 8.277 8.851 -0.574 18229 11227 1 18 . 1 1 15 15 ILE N N 15 123.240 123.240 120.102 3.138 18229 11228 1 18 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.488 0.322 18229 11229 1 18 . 1 1 15 15 ILE C C 15 175.370 175.370 173.718 1.652 18229 11230 1 18 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.788 0.532 18229 11231 1 18 . 1 1 15 15 ILE CB C 15 41.606 41.606 40.705 0.901 18229 11232 1 18 . 1 1 15 15 ILE H H 15 8.298 8.298 8.452 -0.154 18229 11233 1 18 . 1 1 16 16 ILE N N 16 127.865 127.865 126.653 1.212 18229 11234 1 18 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.530 0.470 18229 11235 1 18 . 1 1 16 16 ILE C C 16 173.119 173.119 174.151 -1.032 18229 11236 1 18 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.714 0.041 18229 11237 1 18 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.683 1.185 18229 11238 1 18 . 1 1 16 16 ILE H H 16 9.428 9.428 8.961 0.467 18229 11239 1 18 . 1 1 17 17 ALA N N 17 127.742 127.742 130.313 -2.571 18229 11240 1 18 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.925 0.149 18229 11241 1 18 . 1 1 17 17 ALA C C 17 176.203 176.203 176.055 0.148 18229 11242 1 18 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.067 0.324 18229 11243 1 18 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.621 0.569 18229 11244 1 18 . 1 1 17 17 ALA H H 17 8.966 8.966 8.157 0.809 18229 11245 1 18 . 1 1 18 18 ILE N N 18 122.269 122.269 124.220 -1.951 18229 11246 1 18 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.203 0.418 18229 11247 1 18 . 1 1 18 18 ILE C C 18 174.306 174.306 175.741 -1.435 18229 11248 1 18 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.306 -0.806 18229 11249 1 18 . 1 1 18 18 ILE CB C 18 39.147 39.147 38.870 0.277 18229 11250 1 18 . 1 1 18 18 ILE H H 18 8.672 8.672 8.507 0.165 18229 11251 1 18 . 1 1 19 19 ASN N N 19 127.575 127.575 124.803 2.772 18229 11252 1 18 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.875 0.187 18229 11253 1 18 . 1 1 19 19 ASN C C 19 174.730 174.730 174.887 -0.157 18229 11254 1 18 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.471 -0.742 18229 11255 1 18 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.839 -0.343 18229 11256 1 18 . 1 1 19 19 ASN H H 19 9.350 9.350 8.917 0.433 18229 11257 1 18 . 1 1 20 20 GLU N N 20 121.547 121.547 123.695 -2.148 18229 11258 1 18 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.190 0.487 18229 11259 1 18 . 1 1 20 20 GLU C C 20 176.091 176.091 176.012 0.079 18229 11260 1 18 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.981 -2.179 18229 11261 1 18 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.853 0.819 18229 11262 1 18 . 1 1 20 20 GLU H H 20 9.037 9.037 8.489 0.548 18229 11263 1 18 . 1 1 21 21 ASP N N 21 121.086 121.086 117.629 3.457 18229 11264 1 18 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.635 -0.006 18229 11265 1 18 . 1 1 21 21 ASP C C 21 175.651 175.651 176.534 -0.883 18229 11266 1 18 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.692 0.807 18229 11267 1 18 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.417 0.133 18229 11268 1 18 . 1 1 21 21 ASP H H 21 8.706 8.706 8.422 0.284 18229 11269 1 18 . 1 1 22 22 VAL N N 22 113.108 113.108 116.804 -3.696 18229 11270 1 18 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.351 -0.035 18229 11271 1 18 . 1 1 22 22 VAL C C 22 173.407 173.407 175.140 -1.733 18229 11272 1 18 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.223 -0.070 18229 11273 1 18 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.549 0.480 18229 11274 1 18 . 1 1 22 22 VAL H H 22 6.819 6.819 7.312 -0.493 18229 11275 1 18 . 1 1 23 23 SER N N 23 115.009 115.009 113.876 1.133 18229 11276 1 18 . 1 1 23 23 SER HA H 23 4.735 4.735 4.595 0.140 18229 11277 1 18 . 1 1 23 23 SER CA C 23 53.848 53.848 57.562 -3.714 18229 11278 1 18 . 1 1 23 23 SER CB C 23 64.810 64.810 63.917 0.893 18229 11279 1 18 . 1 1 23 23 SER H H 23 8.032 8.032 8.252 -0.220 18229 11280 1 18 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.423 0.361 18229 11281 1 18 . 1 1 24 24 PRO C C 24 174.825 174.825 175.782 -0.957 18229 11282 1 18 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.489 0.359 18229 11283 1 18 . 1 1 24 24 PRO CB C 24 34.801 34.801 31.959 2.842 18229 11284 1 18 . 1 1 25 25 ALA N N 25 120.477 120.477 121.402 -0.925 18229 11285 1 18 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.352 0.163 18229 11286 1 18 . 1 1 25 25 ALA C C 25 175.878 175.878 176.882 -1.004 18229 11287 1 18 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.229 0.379 18229 11288 1 18 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.161 0.293 18229 11289 1 18 . 1 1 25 25 ALA H H 25 8.013 8.013 8.225 -0.212 18229 11290 1 18 . 1 1 26 26 GLU N N 26 115.417 115.417 114.767 0.650 18229 11291 1 18 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.131 -0.060 18229 11292 1 18 . 1 1 26 26 GLU C C 26 174.599 174.599 174.721 -0.122 18229 11293 1 18 . 1 1 26 26 GLU CA C 26 53.987 53.987 54.999 -1.012 18229 11294 1 18 . 1 1 26 26 GLU CB C 26 34.265 34.265 33.281 0.984 18229 11295 1 18 . 1 1 26 26 GLU H H 26 7.821 7.821 8.040 -0.219 18229 11296 1 18 . 1 1 27 27 LEU N N 27 124.622 124.622 122.184 2.438 18229 11297 1 18 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.232 -0.194 18229 11298 1 18 . 1 1 27 27 LEU C C 27 174.704 174.704 175.829 -1.125 18229 11299 1 18 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.419 0.338 18229 11300 1 18 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.155 1.491 18229 11301 1 18 . 1 1 27 27 LEU H H 27 8.863 8.863 9.144 -0.281 18229 11302 1 18 . 1 1 28 28 THR N N 28 121.755 121.755 121.879 -0.124 18229 11303 1 18 . 1 1 28 28 THR HA H 28 5.152 5.152 5.014 0.138 18229 11304 1 18 . 1 1 28 28 THR C C 28 172.573 172.573 173.492 -0.919 18229 11305 1 18 . 1 1 28 28 THR CA C 28 61.452 61.452 62.931 -1.479 18229 11306 1 18 . 1 1 28 28 THR CB C 28 71.480 71.480 69.531 1.949 18229 11307 1 18 . 1 1 28 28 THR H H 28 9.276 9.276 9.132 0.144 18229 11308 1 18 . 1 1 29 29 TRP N N 29 128.764 128.764 131.364 -2.600 18229 11309 1 18 . 1 1 29 29 TRP HA H 29 5.448 5.448 4.984 0.464 18229 11310 1 18 . 1 1 29 29 TRP C C 29 173.881 173.881 174.285 -0.404 18229 11311 1 18 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.364 -0.573 18229 11312 1 18 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.101 1.229 18229 11313 1 18 . 1 1 29 29 TRP H H 29 9.383 9.383 9.640 -0.257 18229 11314 1 18 . 1 1 30 30 ARG N N 30 126.417 126.417 130.524 -4.107 18229 11315 1 18 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.412 0.395 18229 11316 1 18 . 1 1 30 30 ARG C C 30 174.712 174.712 175.066 -0.354 18229 11317 1 18 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.851 -0.383 18229 11318 1 18 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.337 0.480 18229 11319 1 18 . 1 1 30 30 ARG H H 30 7.579 7.579 9.158 -1.579 18229 11320 1 18 . 1 1 31 31 SER N N 31 118.415 118.415 120.562 -2.147 18229 11321 1 18 . 1 1 31 31 SER HA H 31 4.480 4.480 3.616 0.864 18229 11322 1 18 . 1 1 31 31 SER C C 31 176.360 176.360 175.198 1.162 18229 11323 1 18 . 1 1 31 31 SER CA C 31 58.070 58.070 59.049 -0.979 18229 11324 1 18 . 1 1 31 31 SER CB C 31 64.272 64.272 63.892 0.380 18229 11325 1 18 . 1 1 31 31 SER H H 31 8.078 8.078 8.538 -0.460 18229 11326 1 18 . 1 1 32 32 THR N N 32 119.175 119.175 120.991 -1.816 18229 11327 1 18 . 1 1 32 32 THR HA H 32 3.847 3.847 4.073 -0.226 18229 11328 1 18 . 1 1 32 32 THR C C 32 175.602 175.602 175.531 0.071 18229 11329 1 18 . 1 1 32 32 THR CA C 32 66.265 66.265 65.386 0.879 18229 11330 1 18 . 1 1 32 32 THR CB C 32 68.557 68.557 68.940 -0.383 18229 11331 1 18 . 1 1 32 32 THR H H 32 8.520 8.520 8.306 0.214 18229 11332 1 18 . 1 1 33 33 ASP N N 33 117.286 117.286 119.380 -2.094 18229 11333 1 18 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.649 -0.032 18229 11334 1 18 . 1 1 33 33 ASP C C 33 177.056 177.056 176.103 0.953 18229 11335 1 18 . 1 1 33 33 ASP CA C 33 54.225 54.225 53.873 0.352 18229 11336 1 18 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.054 -0.176 18229 11337 1 18 . 1 1 33 33 ASP H H 33 8.223 8.223 7.660 0.563 18229 11338 1 18 . 1 1 34 34 GLY N N 34 109.197 109.197 107.399 1.798 18229 11339 1 18 . 1 1 34 34 GLY C C 34 173.762 173.762 174.706 -0.944 18229 11340 1 18 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.748 -0.349 18229 11341 1 18 . 1 1 34 34 GLY H H 34 7.914 7.914 7.561 0.353 18229 11342 1 18 . 1 1 35 35 ASP N N 35 118.081 118.081 118.794 -0.713 18229 11343 1 18 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.584 -0.065 18229 11344 1 18 . 1 1 35 35 ASP C C 35 175.366 175.366 176.011 -0.645 18229 11345 1 18 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.060 -0.200 18229 11346 1 18 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.558 -0.585 18229 11347 1 18 . 1 1 35 35 ASP H H 35 8.238 8.238 8.479 -0.241 18229 11348 1 18 . 1 1 36 36 LYS N N 36 120.362 120.362 117.559 2.803 18229 11349 1 18 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.446 0.388 18229 11350 1 18 . 1 1 36 36 LYS C C 36 174.568 174.568 173.822 0.746 18229 11351 1 18 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.254 0.282 18229 11352 1 18 . 1 1 36 36 LYS CB C 36 35.779 35.779 35.210 0.569 18229 11353 1 18 . 1 1 36 36 LYS H H 36 7.749 7.749 7.708 0.041 18229 11354 1 18 . 1 1 37 37 VAL N N 37 121.758 121.758 119.926 1.832 18229 11355 1 18 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.212 0.059 18229 11356 1 18 . 1 1 37 37 VAL C C 37 175.209 175.209 174.326 0.883 18229 11357 1 18 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.291 -0.028 18229 11358 1 18 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.653 0.330 18229 11359 1 18 . 1 1 37 37 VAL H H 37 8.526 8.526 8.223 0.303 18229 11360 1 18 . 1 1 38 38 HIS N N 38 126.087 126.087 123.832 2.255 18229 11361 1 18 . 1 1 38 38 HIS HA H 38 5.021 5.021 5.151 -0.130 18229 11362 1 18 . 1 1 38 38 HIS C C 38 173.116 173.116 174.441 -1.325 18229 11363 1 18 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.655 1.153 18229 11364 1 18 . 1 1 38 38 HIS CB C 38 32.983 32.983 33.161 -0.178 18229 11365 1 18 . 1 1 38 38 HIS H H 38 9.633 9.633 9.448 0.185 18229 11366 1 18 . 1 1 39 39 THR N N 39 124.455 124.455 120.844 3.611 18229 11367 1 18 . 1 1 39 39 THR HA H 39 5.155 5.155 5.004 0.151 18229 11368 1 18 . 1 1 39 39 THR C C 39 173.102 173.102 173.606 -0.504 18229 11369 1 18 . 1 1 39 39 THR CA C 39 61.637 61.637 62.311 -0.674 18229 11370 1 18 . 1 1 39 39 THR CB C 39 70.716 70.716 69.731 0.985 18229 11371 1 18 . 1 1 39 39 THR H H 39 8.415 8.415 8.771 -0.356 18229 11372 1 18 . 1 1 40 40 VAL N N 40 126.066 126.066 126.473 -0.407 18229 11373 1 18 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.198 -0.245 18229 11374 1 18 . 1 1 40 40 VAL C C 40 174.693 174.693 173.979 0.714 18229 11375 1 18 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.570 -0.222 18229 11376 1 18 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.307 -1.033 18229 11377 1 18 . 1 1 40 40 VAL H H 40 9.387 9.387 9.221 0.166 18229 11378 1 18 . 1 1 41 41 VAL N N 41 129.775 129.775 128.605 1.170 18229 11379 1 18 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.511 -0.523 18229 11380 1 18 . 1 1 41 41 VAL C C 41 179.424 179.424 176.661 2.763 18229 11381 1 18 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.354 3.390 18229 11382 1 18 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.580 0.371 18229 11383 1 18 . 1 1 41 41 VAL H H 41 9.021 9.021 8.789 0.232 18229 11384 1 18 . 1 1 42 42 LEU N N 42 129.645 129.645 128.156 1.489 18229 11385 1 18 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.082 -0.109 18229 11386 1 18 . 1 1 42 42 LEU C C 42 176.259 176.259 178.031 -1.772 18229 11387 1 18 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.663 0.980 18229 11388 1 18 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.293 -0.465 18229 11389 1 18 . 1 1 42 42 LEU H H 42 9.147 9.147 8.646 0.501 18229 11390 1 18 . 1 1 43 43 SER N N 43 110.158 110.158 111.593 -1.435 18229 11391 1 18 . 1 1 43 43 SER HA H 43 4.310 4.310 4.198 0.112 18229 11392 1 18 . 1 1 43 43 SER C C 43 175.263 175.263 176.436 -1.173 18229 11393 1 18 . 1 1 43 43 SER CA C 43 59.620 59.620 60.970 -1.350 18229 11394 1 18 . 1 1 43 43 SER CB C 43 61.543 61.543 63.685 -2.143 18229 11395 1 18 . 1 1 43 43 SER H H 43 7.006 7.006 8.044 -1.038 18229 11396 1 18 . 1 1 44 44 THR N N 44 110.206 110.206 115.874 -5.668 18229 11397 1 18 . 1 1 44 44 THR HA H 44 4.504 4.504 4.134 0.370 18229 11398 1 18 . 1 1 44 44 THR C C 44 173.489 173.489 175.585 -2.096 18229 11399 1 18 . 1 1 44 44 THR CA C 44 62.024 62.024 64.785 -2.761 18229 11400 1 18 . 1 1 44 44 THR CB C 44 69.805 69.805 68.740 1.065 18229 11401 1 18 . 1 1 44 44 THR H H 44 7.571 7.571 7.732 -0.161 18229 11402 1 18 . 1 1 45 45 ILE N N 45 120.322 120.322 124.166 -3.844 18229 11403 1 18 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.223 0.044 18229 11404 1 18 . 1 1 45 45 ILE C C 45 174.103 174.103 176.269 -2.166 18229 11405 1 18 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.681 -3.711 18229 11406 1 18 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.834 0.727 18229 11407 1 18 . 1 1 45 45 ILE H H 45 6.975 6.975 8.106 -1.131 18229 11408 1 18 . 1 1 46 46 ASP N N 46 126.492 126.492 127.756 -1.264 18229 11409 1 18 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.362 0.349 18229 11410 1 18 . 1 1 46 46 ASP C C 46 175.431 175.431 175.487 -0.056 18229 11411 1 18 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.394 -1.561 18229 11412 1 18 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.748 2.787 18229 11413 1 18 . 1 1 46 46 ASP H H 46 9.262 9.262 8.800 0.462 18229 11414 1 18 . 1 1 47 47 LYS N N 47 112.726 112.726 112.970 -0.244 18229 11415 1 18 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.438 0.269 18229 11416 1 18 . 1 1 47 47 LYS C C 47 172.673 172.673 173.906 -1.233 18229 11417 1 18 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.531 -0.709 18229 11418 1 18 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.383 2.226 18229 11419 1 18 . 1 1 47 47 LYS H H 47 7.572 7.572 7.359 0.213 18229 11420 1 18 . 1 1 48 48 LEU N N 48 124.840 124.840 123.436 1.404 18229 11421 1 18 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.929 0.122 18229 11422 1 18 . 1 1 48 48 LEU C C 48 173.965 173.965 175.866 -1.901 18229 11423 1 18 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.062 -1.042 18229 11424 1 18 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.180 2.384 18229 11425 1 18 . 1 1 48 48 LEU H H 48 9.013 9.013 8.449 0.564 18229 11426 1 18 . 1 1 49 49 GLN N N 49 121.648 121.648 125.596 -3.948 18229 11427 1 18 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.762 0.756 18229 11428 1 18 . 1 1 49 49 GLN C C 49 174.700 174.700 174.056 0.644 18229 11429 1 18 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.134 -0.535 18229 11430 1 18 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.642 1.384 18229 11431 1 18 . 1 1 49 49 GLN H H 49 9.260 9.260 9.339 -0.080 18229 11432 1 18 . 1 1 50 50 ALA N N 50 122.020 122.020 123.905 -1.885 18229 11433 1 18 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.160 0.587 18229 11434 1 18 . 1 1 50 50 ALA C C 50 177.167 177.167 176.129 1.038 18229 11435 1 18 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.169 -0.577 18229 11436 1 18 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.106 2.257 18229 11437 1 18 . 1 1 50 50 ALA H H 50 9.286 9.286 8.409 0.877 18229 11438 1 18 . 1 1 51 51 THR N N 51 114.222 114.222 115.775 -1.553 18229 11439 1 18 . 1 1 51 51 THR HA H 51 4.735 4.735 4.338 0.397 18229 11440 1 18 . 1 1 51 51 THR CA C 51 59.228 59.228 61.436 -2.208 18229 11441 1 18 . 1 1 51 51 THR CB C 51 67.954 67.954 68.132 -0.178 18229 11442 1 18 . 1 1 51 51 THR H H 51 8.340 8.340 8.785 -0.445 18229 11443 1 18 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.434 0.136 18229 11444 1 18 . 1 1 52 52 PRO C C 52 178.621 178.621 177.258 1.363 18229 11445 1 18 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.671 -0.243 18229 11446 1 18 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.402 0.317 18229 11447 1 18 . 1 1 53 53 ALA N N 53 126.566 126.566 123.274 3.292 18229 11448 1 18 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.072 -0.017 18229 11449 1 18 . 1 1 53 53 ALA C C 53 177.578 177.578 178.718 -1.140 18229 11450 1 18 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.681 0.139 18229 11451 1 18 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.645 -0.788 18229 11452 1 18 . 1 1 53 53 ALA H H 53 9.109 9.109 8.496 0.613 18229 11453 1 18 . 1 1 54 54 SER N N 54 107.184 107.184 110.776 -3.592 18229 11454 1 18 . 1 1 54 54 SER HA H 54 4.235 4.235 4.339 -0.104 18229 11455 1 18 . 1 1 54 54 SER C C 54 174.838 174.838 174.744 0.094 18229 11456 1 18 . 1 1 54 54 SER CA C 54 58.116 58.116 59.588 -1.472 18229 11457 1 18 . 1 1 54 54 SER CB C 54 63.021 63.021 62.840 0.181 18229 11458 1 18 . 1 1 54 54 SER H H 54 7.595 7.595 8.133 -0.538 18229 11459 1 18 . 1 1 55 55 SER N N 55 117.098 117.098 118.259 -1.161 18229 11460 1 18 . 1 1 55 55 SER HA H 55 4.484 4.484 4.545 -0.061 18229 11461 1 18 . 1 1 55 55 SER C C 55 174.833 174.833 174.015 0.818 18229 11462 1 18 . 1 1 55 55 SER CA C 55 57.510 57.510 58.100 -0.590 18229 11463 1 18 . 1 1 55 55 SER CB C 55 64.121 64.121 64.033 0.088 18229 11464 1 18 . 1 1 55 55 SER H H 55 7.613 7.613 7.464 0.149 18229 11465 1 18 . 1 1 56 56 GLU N N 56 125.258 125.258 124.668 0.590 18229 11466 1 18 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.032 0.097 18229 11467 1 18 . 1 1 56 56 GLU C C 56 177.852 177.852 176.143 1.709 18229 11468 1 18 . 1 1 56 56 GLU CA C 56 57.612 57.612 57.941 -0.330 18229 11469 1 18 . 1 1 56 56 GLU CB C 56 29.424 29.424 30.062 -0.638 18229 11470 1 18 . 1 1 56 56 GLU H H 56 8.849 8.849 8.672 0.177 18229 11471 1 18 . 1 1 57 57 LYS N N 57 119.058 119.058 118.527 0.531 18229 11472 1 18 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.261 0.038 18229 11473 1 18 . 1 1 57 57 LYS C C 57 175.699 175.699 176.129 -0.430 18229 11474 1 18 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.945 -0.300 18229 11475 1 18 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.104 1.166 18229 11476 1 18 . 1 1 57 57 LYS H H 57 8.060 8.060 7.726 0.334 18229 11477 1 18 . 1 1 58 58 MET N N 58 123.967 123.967 122.605 1.362 18229 11478 1 18 . 1 1 58 58 MET HA H 58 4.345 4.345 4.960 -0.615 18229 11479 1 18 . 1 1 58 58 MET C C 58 174.213 174.213 174.568 -0.355 18229 11480 1 18 . 1 1 58 58 MET CA C 58 55.170 55.170 53.862 1.308 18229 11481 1 18 . 1 1 58 58 MET CB C 58 35.330 35.330 31.871 3.459 18229 11482 1 18 . 1 1 58 58 MET H H 58 8.828 8.828 8.660 0.168 18229 11483 1 18 . 1 1 59 59 MET N N 59 120.929 120.929 122.115 -1.186 18229 11484 1 18 . 1 1 59 59 MET HA H 59 5.905 5.905 5.340 0.565 18229 11485 1 18 . 1 1 59 59 MET C C 59 174.521 174.521 173.818 0.703 18229 11486 1 18 . 1 1 59 59 MET CA C 59 55.038 55.038 55.605 -0.567 18229 11487 1 18 . 1 1 59 59 MET CB C 59 39.549 39.549 37.880 1.669 18229 11488 1 18 . 1 1 59 59 MET H H 59 8.528 8.528 9.502 -0.974 18229 11489 1 18 . 1 1 60 60 LEU N N 60 117.623 117.623 121.123 -3.500 18229 11490 1 18 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.136 0.529 18229 11491 1 18 . 1 1 60 60 LEU C C 60 175.763 175.763 175.195 0.568 18229 11492 1 18 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.792 -0.607 18229 11493 1 18 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.279 2.282 18229 11494 1 18 . 1 1 60 60 LEU H H 60 9.052 9.052 9.616 -0.564 18229 11495 1 18 . 1 1 61 61 ARG N N 61 120.407 120.407 121.523 -1.116 18229 11496 1 18 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.675 -0.204 18229 11497 1 18 . 1 1 61 61 ARG C C 61 173.286 173.286 173.983 -0.697 18229 11498 1 18 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.139 0.792 18229 11499 1 18 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.496 -0.161 18229 11500 1 18 . 1 1 61 61 ARG H H 61 9.180 9.180 9.522 -0.342 18229 11501 1 18 . 1 1 62 62 LEU N N 62 126.471 126.471 125.240 1.231 18229 11502 1 18 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.200 -0.002 18229 11503 1 18 . 1 1 62 62 LEU C C 62 175.447 175.447 176.132 -0.685 18229 11504 1 18 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.282 0.126 18229 11505 1 18 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.822 -1.389 18229 11506 1 18 . 1 1 62 62 LEU H H 62 9.203 9.203 8.899 0.304 18229 11507 1 18 . 1 1 63 63 ILE N N 63 123.282 123.282 123.625 -0.343 18229 11508 1 18 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.446 0.251 18229 11509 1 18 . 1 1 63 63 ILE C C 63 176.525 176.525 176.867 -0.342 18229 11510 1 18 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.369 0.307 18229 11511 1 18 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.107 0.598 18229 11512 1 18 . 1 1 63 63 ILE H H 63 8.983 8.983 8.988 -0.005 18229 11513 1 18 . 1 1 64 64 GLY N N 64 115.647 115.647 110.178 5.469 18229 11514 1 18 . 1 1 64 64 GLY C C 64 172.300 172.300 173.139 -0.839 18229 11515 1 18 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.738 1.924 18229 11516 1 18 . 1 1 64 64 GLY H H 64 9.372 9.372 8.908 0.464 18229 11517 1 18 . 1 1 65 65 LYS N N 65 119.107 119.107 124.862 -5.755 18229 11518 1 18 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.063 0.243 18229 11519 1 18 . 1 1 65 65 LYS C C 65 177.404 177.404 176.177 1.227 18229 11520 1 18 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.680 -1.179 18229 11521 1 18 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.964 1.454 18229 11522 1 18 . 1 1 65 65 LYS H H 65 8.289 8.289 7.937 0.352 18229 11523 1 18 . 1 1 66 66 VAL N N 66 122.231 122.231 122.743 -0.512 18229 11524 1 18 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.219 -0.140 18229 11525 1 18 . 1 1 66 66 VAL C C 66 175.253 175.253 176.450 -1.197 18229 11526 1 18 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.244 0.892 18229 11527 1 18 . 1 1 66 66 VAL CB C 66 33.284 33.284 34.249 -0.965 18229 11528 1 18 . 1 1 66 66 VAL H H 66 8.607 8.607 8.021 0.586 18229 11529 1 18 . 1 1 67 67 ASP N N 67 125.538 125.538 126.623 -1.085 18229 11530 1 18 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.881 -0.182 18229 11531 1 18 . 1 1 67 67 ASP C C 67 176.601 176.601 176.388 0.213 18229 11532 1 18 . 1 1 67 67 ASP CA C 67 53.058 53.058 54.284 -1.226 18229 11533 1 18 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.004 0.868 18229 11534 1 18 . 1 1 67 67 ASP H H 67 8.457 8.457 8.861 -0.404 18229 11535 1 18 . 1 1 68 68 GLU N N 68 124.433 124.433 119.719 4.714 18229 11536 1 18 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.006 0.118 18229 11537 1 18 . 1 1 68 68 GLU C C 68 177.344 177.344 177.686 -0.342 18229 11538 1 18 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.679 -1.044 18229 11539 1 18 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.134 0.546 18229 11540 1 18 . 1 1 68 68 GLU H H 68 8.712 8.712 7.830 0.882 18229 11541 1 18 . 1 1 69 69 SER N N 69 115.596 115.596 114.914 0.682 18229 11542 1 18 . 1 1 69 69 SER HA H 69 4.328 4.328 4.235 0.093 18229 11543 1 18 . 1 1 69 69 SER C C 69 175.180 175.180 175.360 -0.180 18229 11544 1 18 . 1 1 69 69 SER CA C 69 60.146 60.146 60.766 -0.620 18229 11545 1 18 . 1 1 69 69 SER CB C 69 63.383 63.383 62.667 0.716 18229 11546 1 18 . 1 1 69 69 SER H H 69 8.467 8.467 8.297 0.170 18229 11547 1 18 . 1 1 70 70 LYS N N 70 121.738 121.738 119.931 1.807 18229 11548 1 18 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.227 0.179 18229 11549 1 18 . 1 1 70 70 LYS C C 70 176.165 176.165 176.335 -0.170 18229 11550 1 18 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.449 -1.038 18229 11551 1 18 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.995 -0.495 18229 11552 1 18 . 1 1 70 70 LYS H H 70 7.675 7.675 7.606 0.069 18229 11553 1 18 . 1 1 71 71 LYS N N 71 121.087 121.087 117.392 3.695 18229 11554 1 18 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.072 0.336 18229 11555 1 18 . 1 1 71 71 LYS C C 71 176.134 176.134 175.520 0.614 18229 11556 1 18 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.962 -0.357 18229 11557 1 18 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.660 1.623 18229 11558 1 18 . 1 1 71 71 LYS H H 71 7.739 7.739 8.157 -0.418 18229 11559 1 18 . 1 1 72 72 ARG N N 72 122.147 122.147 121.504 0.643 18229 11560 1 18 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.445 0.139 18229 11561 1 18 . 1 1 72 72 ARG C C 72 175.217 175.217 175.792 -0.575 18229 11562 1 18 . 1 1 72 72 ARG CA C 72 55.041 55.041 55.173 -0.132 18229 11563 1 18 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.548 -0.194 18229 11564 1 18 . 1 1 72 72 ARG H H 72 8.402 8.402 8.489 -0.087 18229 11565 1 18 . 1 1 73 73 LYS N N 73 121.242 121.242 119.812 1.430 18229 11566 1 18 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.715 0.184 18229 11567 1 18 . 1 1 73 73 LYS C C 73 176.966 176.966 175.055 1.911 18229 11568 1 18 . 1 1 73 73 LYS CA C 73 55.365 55.365 54.502 0.863 18229 11569 1 18 . 1 1 73 73 LYS CB C 73 34.631 34.631 34.553 0.078 18229 11570 1 18 . 1 1 73 73 LYS H H 73 8.386 8.386 8.283 0.103 18229 11571 1 18 . 1 1 74 74 ASP N N 74 122.007 122.007 118.044 3.963 18229 11572 1 18 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.853 -0.202 18229 11573 1 18 . 1 1 74 74 ASP C C 74 177.401 177.401 176.827 0.574 18229 11574 1 18 . 1 1 74 74 ASP CA C 74 52.840 52.840 52.191 0.649 18229 11575 1 18 . 1 1 74 74 ASP CB C 74 41.008 41.008 43.024 -2.016 18229 11576 1 18 . 1 1 74 74 ASP H H 74 8.559 8.559 8.177 0.382 18229 11577 1 18 . 1 1 75 75 ASN N N 75 116.263 116.263 118.323 -2.060 18229 11578 1 18 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.518 0.017 18229 11579 1 18 . 1 1 75 75 ASN C C 75 175.944 175.944 175.880 0.064 18229 11580 1 18 . 1 1 75 75 ASN CA C 75 54.877 54.877 55.501 -0.624 18229 11581 1 18 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.844 -0.734 18229 11582 1 18 . 1 1 75 75 ASN H H 75 8.414 8.414 8.724 -0.310 18229 11583 1 18 . 1 1 76 76 GLU N N 76 118.940 118.940 117.541 1.399 18229 11584 1 18 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.508 -0.115 18229 11585 1 18 . 1 1 76 76 GLU C C 76 176.512 176.512 175.773 0.739 18229 11586 1 18 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.414 0.752 18229 11587 1 18 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.493 0.517 18229 11588 1 18 . 1 1 76 76 GLU H H 76 8.133 8.133 7.792 0.341 18229 11589 1 18 . 1 1 77 77 GLY N N 77 108.056 108.056 108.621 -0.565 18229 11590 1 18 . 1 1 77 77 GLY C C 77 174.193 174.193 173.666 0.527 18229 11591 1 18 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.852 -0.565 18229 11592 1 18 . 1 1 77 77 GLY H H 77 8.083 8.083 8.128 -0.045 18229 11593 1 18 . 1 1 78 78 ASN N N 78 119.896 119.896 116.550 3.346 18229 11594 1 18 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.498 0.244 18229 11595 1 18 . 1 1 78 78 ASN C C 78 175.006 175.006 174.595 0.411 18229 11596 1 18 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.736 -0.909 18229 11597 1 18 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.223 -0.227 18229 11598 1 18 . 1 1 78 78 ASN H H 78 8.537 8.537 7.926 0.611 18229 11599 1 18 . 1 1 79 79 GLU N N 79 121.648 121.648 118.679 2.969 18229 11600 1 18 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.644 -0.173 18229 11601 1 18 . 1 1 79 79 GLU C C 79 176.268 176.268 175.933 0.335 18229 11602 1 18 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.401 1.209 18229 11603 1 18 . 1 1 79 79 GLU CB C 79 30.307 30.307 30.536 -0.229 18229 11604 1 18 . 1 1 79 79 GLU H H 79 8.674 8.674 8.345 0.329 18229 11605 1 18 . 1 1 80 80 VAL N N 80 124.083 124.083 126.614 -2.531 18229 11606 1 18 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.042 0.206 18229 11607 1 18 . 1 1 80 80 VAL C C 80 175.537 175.537 175.986 -0.449 18229 11608 1 18 . 1 1 80 80 VAL CA C 80 61.465 61.465 63.185 -1.720 18229 11609 1 18 . 1 1 80 80 VAL CB C 80 33.553 33.553 32.749 0.804 18229 11610 1 18 . 1 1 80 80 VAL H H 80 8.554 8.554 9.172 -0.618 18229 11611 1 18 . 1 1 81 81 VAL N N 81 126.640 126.640 119.559 7.081 18229 11612 1 18 . 1 1 81 81 VAL HA H 81 4.427 4.427 3.835 0.592 18229 11613 1 18 . 1 1 81 81 VAL CA C 81 59.605 59.605 61.640 -2.035 18229 11614 1 18 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.722 1.154 18229 11615 1 18 . 1 1 81 81 VAL H H 81 8.390 8.390 8.118 0.272 18229 11616 1 18 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.405 0.022 18229 11617 1 18 . 1 1 82 82 PRO C C 82 176.034 176.034 176.201 -0.167 18229 11618 1 18 . 1 1 82 82 PRO CA C 82 62.710 62.710 62.973 -0.263 18229 11619 1 18 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.256 0.096 18229 11620 1 18 . 1 1 83 83 LYS N N 83 121.719 121.719 122.063 -0.344 18229 11621 1 18 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.325 0.223 18229 11622 1 18 . 1 1 83 83 LYS CA C 83 53.856 53.856 54.924 -1.068 18229 11623 1 18 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.731 0.599 18229 11624 1 18 . 1 1 83 83 LYS H H 83 8.308 8.308 8.311 -0.003 18229 11625 1 18 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.512 -0.216 18229 11626 1 18 . 1 1 84 84 PRO C C 84 176.773 176.773 176.050 0.723 18229 11627 1 18 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.523 0.033 18229 11628 1 18 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.666 -0.048 18229 11629 1 18 . 1 1 85 85 GLN N N 85 121.395 121.395 121.183 0.212 18229 11630 1 18 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.313 -0.172 18229 11631 1 18 . 1 1 85 85 GLN C C 85 174.940 174.940 175.404 -0.464 18229 11632 1 18 . 1 1 85 85 GLN CA C 85 56.062 56.062 56.339 -0.277 18229 11633 1 18 . 1 1 85 85 GLN CB C 85 29.730 29.730 30.172 -0.443 18229 11634 1 18 . 1 1 85 85 GLN H H 85 8.464 8.464 8.385 0.079 18229 11635 1 18 . 1 1 86 86 ARG N N 86 121.035 121.035 119.943 1.092 18229 11636 1 18 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.714 0.413 18229 11637 1 18 . 1 1 86 86 ARG C C 86 175.052 175.052 174.769 0.283 18229 11638 1 18 . 1 1 86 86 ARG CA C 86 54.534 54.534 55.979 -1.445 18229 11639 1 18 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.966 0.367 18229 11640 1 18 . 1 1 86 86 ARG H H 86 8.248 8.248 8.261 -0.013 18229 11641 1 18 . 1 1 87 87 HIS N N 87 120.780 120.780 123.785 -3.005 18229 11642 1 18 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.572 0.110 18229 11643 1 18 . 1 1 87 87 HIS C C 87 173.558 173.558 173.562 -0.004 18229 11644 1 18 . 1 1 87 87 HIS CA C 87 54.192 54.192 55.126 -0.934 18229 11645 1 18 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.813 2.241 18229 11646 1 18 . 1 1 87 87 HIS H H 87 8.659 8.659 9.061 -0.402 18229 11647 1 18 . 1 1 88 88 MET N N 88 126.780 126.780 124.308 2.472 18229 11648 1 18 . 1 1 88 88 MET HA H 88 5.283 5.283 4.347 0.936 18229 11649 1 18 . 1 1 88 88 MET C C 88 173.297 173.297 173.428 -0.131 18229 11650 1 18 . 1 1 88 88 MET CA C 88 54.835 54.835 54.842 -0.007 18229 11651 1 18 . 1 1 88 88 MET CB C 88 35.794 35.794 33.200 2.595 18229 11652 1 18 . 1 1 88 88 MET H H 88 8.710 8.710 8.375 0.335 18229 11653 1 18 . 1 1 89 89 PHE N N 89 122.543 122.543 126.127 -3.584 18229 11654 1 18 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.290 -0.095 18229 11655 1 18 . 1 1 89 89 PHE C C 89 174.410 174.410 174.905 -0.495 18229 11656 1 18 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.345 1.034 18229 11657 1 18 . 1 1 89 89 PHE CB C 89 44.189 44.189 40.759 3.430 18229 11658 1 18 . 1 1 89 89 PHE H H 89 8.969 8.969 9.217 -0.248 18229 11659 1 18 . 1 1 90 90 SER N N 90 116.192 116.192 120.281 -4.089 18229 11660 1 18 . 1 1 90 90 SER HA H 90 5.696 5.696 4.894 0.802 18229 11661 1 18 . 1 1 90 90 SER C C 90 173.030 173.030 173.843 -0.813 18229 11662 1 18 . 1 1 90 90 SER CA C 90 56.771 56.771 57.837 -1.066 18229 11663 1 18 . 1 1 90 90 SER CB C 90 64.961 64.961 63.500 1.461 18229 11664 1 18 . 1 1 90 90 SER H H 90 8.657 8.657 8.589 0.068 18229 11665 1 18 . 1 1 91 91 PHE N N 91 120.710 120.710 125.046 -4.336 18229 11666 1 18 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.710 0.177 18229 11667 1 18 . 1 1 91 91 PHE C C 91 174.442 174.442 176.619 -2.177 18229 11668 1 18 . 1 1 91 91 PHE CA C 91 57.425 57.425 57.574 -0.149 18229 11669 1 18 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.451 2.941 18229 11670 1 18 . 1 1 91 91 PHE H H 91 9.001 9.001 8.551 0.450 18229 11671 1 18 . 1 1 92 92 ASN N N 92 115.967 115.967 122.896 -6.929 18229 11672 1 18 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.831 0.276 18229 11673 1 18 . 1 1 92 92 ASN C C 92 174.835 174.835 174.097 0.738 18229 11674 1 18 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.477 -1.226 18229 11675 1 18 . 1 1 92 92 ASN CB C 92 39.889 39.889 38.317 1.572 18229 11676 1 18 . 1 1 92 92 ASN H H 92 9.093 9.093 8.901 0.192 18229 11677 1 18 . 1 1 93 93 ASN N N 93 118.401 118.401 117.300 1.101 18229 11678 1 18 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.775 0.147 18229 11679 1 18 . 1 1 93 93 ASN C C 93 174.524 174.524 174.851 -0.327 18229 11680 1 18 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.649 -0.636 18229 11681 1 18 . 1 1 93 93 ASN CB C 93 41.761 41.761 39.506 2.255 18229 11682 1 18 . 1 1 93 93 ASN H H 93 7.252 7.252 7.390 -0.138 18229 11683 1 18 . 1 1 94 94 ARG N N 94 129.175 129.175 124.461 4.714 18229 11684 1 18 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.054 -0.189 18229 11685 1 18 . 1 1 94 94 ARG C C 94 176.797 176.797 177.581 -0.784 18229 11686 1 18 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.293 0.190 18229 11687 1 18 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.090 0.039 18229 11688 1 18 . 1 1 94 94 ARG H H 94 9.309 9.309 8.870 0.439 18229 11689 1 18 . 1 1 95 95 THR N N 95 115.594 115.594 114.173 1.421 18229 11690 1 18 . 1 1 95 95 THR HA H 95 4.021 4.021 4.119 -0.098 18229 11691 1 18 . 1 1 95 95 THR C C 95 176.735 176.735 176.256 0.479 18229 11692 1 18 . 1 1 95 95 THR CA C 95 66.430 66.430 66.887 -0.457 18229 11693 1 18 . 1 1 95 95 THR CB C 95 68.357 68.357 68.585 -0.228 18229 11694 1 18 . 1 1 95 95 THR H H 95 7.973 7.973 8.200 -0.227 18229 11695 1 18 . 1 1 96 96 VAL N N 96 121.833 121.833 121.726 0.107 18229 11696 1 18 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.628 0.155 18229 11697 1 18 . 1 1 96 96 VAL C C 96 177.561 177.561 177.763 -0.202 18229 11698 1 18 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.718 -0.593 18229 11699 1 18 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.553 0.648 18229 11700 1 18 . 1 1 96 96 VAL H H 96 7.565 7.565 7.520 0.045 18229 11701 1 18 . 1 1 97 97 MET N N 97 117.429 117.429 117.894 -0.465 18229 11702 1 18 . 1 1 97 97 MET HA H 97 4.551 4.551 3.366 1.185 18229 11703 1 18 . 1 1 97 97 MET C C 97 177.257 177.257 177.624 -0.367 18229 11704 1 18 . 1 1 97 97 MET CA C 97 59.753 59.753 58.229 1.524 18229 11705 1 18 . 1 1 97 97 MET CB C 97 32.515 32.515 31.482 1.033 18229 11706 1 18 . 1 1 97 97 MET H H 97 7.336 7.336 8.093 -0.757 18229 11707 1 18 . 1 1 98 98 ASP N N 98 118.159 118.159 120.336 -2.177 18229 11708 1 18 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.289 0.026 18229 11709 1 18 . 1 1 98 98 ASP C C 98 178.771 178.771 178.216 0.555 18229 11710 1 18 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.221 0.383 18229 11711 1 18 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.985 -1.321 18229 11712 1 18 . 1 1 98 98 ASP H H 98 8.712 8.712 8.111 0.601 18229 11713 1 18 . 1 1 99 99 ASN N N 99 120.354 120.354 116.879 3.475 18229 11714 1 18 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.556 -0.076 18229 11715 1 18 . 1 1 99 99 ASN C C 99 178.232 178.232 177.336 0.896 18229 11716 1 18 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.148 1.152 18229 11717 1 18 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.081 -0.633 18229 11718 1 18 . 1 1 99 99 ASN H H 99 8.084 8.084 7.966 0.118 18229 11719 1 18 . 1 1 100 100 ILE N N 100 120.990 120.990 122.113 -1.123 18229 11720 1 18 . 1 1 100 100 ILE HA H 100 3.637 3.637 4.032 -0.395 18229 11721 1 18 . 1 1 100 100 ILE C C 100 177.463 177.463 177.679 -0.216 18229 11722 1 18 . 1 1 100 100 ILE CA C 100 62.773 62.773 63.538 -0.765 18229 11723 1 18 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.959 -2.492 18229 11724 1 18 . 1 1 100 100 ILE H H 100 8.017 8.017 8.415 -0.398 18229 11725 1 18 . 1 1 101 101 LYS N N 101 120.814 120.814 119.985 0.829 18229 11726 1 18 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.802 -0.167 18229 11727 1 18 . 1 1 101 101 LYS C C 101 177.365 177.365 178.841 -1.476 18229 11728 1 18 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.875 0.761 18229 11729 1 18 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.243 0.748 18229 11730 1 18 . 1 1 101 101 LYS H H 101 8.944 8.944 8.261 0.683 18229 11731 1 18 . 1 1 102 102 MET N N 102 116.514 116.514 113.945 2.569 18229 11732 1 18 . 1 1 102 102 MET HA H 102 4.209 4.209 4.538 -0.329 18229 11733 1 18 . 1 1 102 102 MET C C 102 178.925 178.925 177.840 1.085 18229 11734 1 18 . 1 1 102 102 MET CA C 102 58.720 58.720 58.728 -0.008 18229 11735 1 18 . 1 1 102 102 MET CB C 102 32.299 32.299 32.277 0.022 18229 11736 1 18 . 1 1 102 102 MET H H 102 8.123 8.123 7.560 0.563 18229 11737 1 18 . 1 1 103 103 THR N N 103 118.583 118.583 118.396 0.187 18229 11738 1 18 . 1 1 103 103 THR HA H 103 3.882 3.882 3.893 -0.011 18229 11739 1 18 . 1 1 103 103 THR C C 103 176.474 176.474 176.711 -0.237 18229 11740 1 18 . 1 1 103 103 THR CA C 103 66.489 66.489 66.229 0.260 18229 11741 1 18 . 1 1 103 103 THR CB C 103 67.864 67.864 68.559 -0.695 18229 11742 1 18 . 1 1 103 103 THR H H 103 7.768 7.768 7.798 -0.030 18229 11743 1 18 . 1 1 104 104 LEU N N 104 119.575 119.575 121.422 -1.847 18229 11744 1 18 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.900 -0.018 18229 11745 1 18 . 1 1 104 104 LEU C C 104 177.935 177.935 178.914 -0.979 18229 11746 1 18 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.401 -0.425 18229 11747 1 18 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.288 1.034 18229 11748 1 18 . 1 1 104 104 LEU H H 104 8.537 8.537 8.185 0.352 18229 11749 1 18 . 1 1 105 105 GLN N N 105 119.463 119.463 117.065 2.398 18229 11750 1 18 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.802 -0.093 18229 11751 1 18 . 1 1 105 105 GLN C C 105 178.507 178.507 178.627 -0.120 18229 11752 1 18 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.616 1.124 18229 11753 1 18 . 1 1 105 105 GLN CB C 105 28.639 28.639 27.818 0.821 18229 11754 1 18 . 1 1 105 105 GLN H H 105 8.736 8.736 7.771 0.965 18229 11755 1 18 . 1 1 106 106 GLN N N 106 118.984 118.984 119.306 -0.322 18229 11756 1 18 . 1 1 106 106 GLN HA H 106 3.976 3.976 3.984 -0.008 18229 11757 1 18 . 1 1 106 106 GLN C C 106 178.454 178.454 178.388 0.066 18229 11758 1 18 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.954 0.064 18229 11759 1 18 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.770 -0.318 18229 11760 1 18 . 1 1 106 106 GLN H H 106 7.689 7.689 8.206 -0.517 18229 11761 1 18 . 1 1 107 107 ILE N N 107 119.928 119.928 119.108 0.820 18229 11762 1 18 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.850 -0.387 18229 11763 1 18 . 1 1 107 107 ILE C C 107 177.492 177.492 178.159 -0.667 18229 11764 1 18 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.534 0.908 18229 11765 1 18 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.236 1.258 18229 11766 1 18 . 1 1 107 107 ILE H H 107 7.910 7.910 7.649 0.262 18229 11767 1 18 . 1 1 108 108 ILE N N 108 117.958 117.958 121.429 -3.471 18229 11768 1 18 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.324 2.435 18229 11769 1 18 . 1 1 108 108 ILE C C 108 178.625 178.625 177.738 0.887 18229 11770 1 18 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.634 0.945 18229 11771 1 18 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.434 1.818 18229 11772 1 18 . 1 1 108 108 ILE H H 108 8.767 8.767 8.504 0.263 18229 11773 1 18 . 1 1 109 109 SER N N 109 113.450 113.450 114.908 -1.458 18229 11774 1 18 . 1 1 109 109 SER HA H 109 4.271 4.271 3.952 0.319 18229 11775 1 18 . 1 1 109 109 SER C C 109 175.966 175.966 176.828 -0.862 18229 11776 1 18 . 1 1 109 109 SER CA C 109 62.205 62.205 61.635 0.571 18229 11777 1 18 . 1 1 109 109 SER CB C 109 63.094 63.094 62.394 0.700 18229 11778 1 18 . 1 1 109 109 SER H H 109 7.797 7.797 8.229 -0.432 18229 11779 1 18 . 1 1 110 110 ARG N N 110 120.739 120.739 121.252 -0.513 18229 11780 1 18 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.164 -0.045 18229 11781 1 18 . 1 1 110 110 ARG C C 110 179.056 179.056 179.307 -0.251 18229 11782 1 18 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.803 0.017 18229 11783 1 18 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.222 -0.423 18229 11784 1 18 . 1 1 110 110 ARG H H 110 7.450 7.450 8.193 -0.743 18229 11785 1 18 . 1 1 111 111 TYR N N 111 117.972 117.972 118.410 -0.438 18229 11786 1 18 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.364 0.342 18229 11787 1 18 . 1 1 111 111 TYR C C 111 177.853 177.853 177.848 0.005 18229 11788 1 18 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.579 1.034 18229 11789 1 18 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.224 0.084 18229 11790 1 18 . 1 1 111 111 TYR H H 111 7.558 7.558 8.487 -0.929 18229 11791 1 18 . 1 1 112 112 LYS N N 112 120.615 120.615 118.170 2.445 18229 11792 1 18 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.167 0.214 18229 11793 1 18 . 1 1 112 112 LYS C C 112 177.893 177.893 178.028 -0.135 18229 11794 1 18 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.692 -0.103 18229 11795 1 18 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.042 0.561 18229 11796 1 18 . 1 1 112 112 LYS H H 112 8.080 8.080 7.498 0.582 18229 11797 1 18 . 1 1 113 113 ASP N N 113 120.325 120.325 120.014 0.311 18229 11798 1 18 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.484 0.160 18229 11799 1 18 . 1 1 113 113 ASP C C 113 176.950 176.950 177.246 -0.296 18229 11800 1 18 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.015 -0.752 18229 11801 1 18 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.669 0.222 18229 11802 1 18 . 1 1 113 113 ASP H H 113 8.191 8.191 8.358 -0.167 18229 11803 1 18 . 1 1 114 114 ALA N N 114 122.906 122.906 120.554 2.352 18229 11804 1 18 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.353 -0.005 18229 11805 1 18 . 1 1 114 114 ALA C C 114 178.055 178.055 178.060 -0.005 18229 11806 1 18 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.268 0.906 18229 11807 1 18 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.742 -0.642 18229 11808 1 18 . 1 1 114 114 ALA H H 114 7.900 7.900 7.592 0.308 18229 11809 1 19 . 1 1 2 2 SER N N 2 113.055 113.055 114.057 -1.002 18229 11810 1 19 . 1 1 2 2 SER HA H 2 4.418 4.418 4.434 -0.016 18229 11811 1 19 . 1 1 2 2 SER C C 2 174.994 174.994 173.573 1.421 18229 11812 1 19 . 1 1 2 2 SER CA C 2 58.540 58.540 58.562 -0.022 18229 11813 1 19 . 1 1 2 2 SER CB C 2 63.748 63.748 63.517 0.231 18229 11814 1 19 . 1 1 2 2 SER H H 2 8.061 8.061 8.120 -0.059 18229 11815 1 19 . 1 1 3 3 HIS N N 3 119.062 119.062 116.728 2.334 18229 11816 1 19 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.684 0.051 18229 11817 1 19 . 1 1 3 3 HIS C C 3 173.417 173.417 173.356 0.061 18229 11818 1 19 . 1 1 3 3 HIS CA C 3 55.304 55.304 55.767 -0.463 18229 11819 1 19 . 1 1 3 3 HIS CB C 3 29.547 29.547 31.202 -1.655 18229 11820 1 19 . 1 1 3 3 HIS H H 3 8.410 8.410 7.979 0.431 18229 11821 1 19 . 1 1 4 4 SER N N 4 113.520 113.520 113.807 -0.287 18229 11822 1 19 . 1 1 4 4 SER HA H 4 5.516 5.516 4.937 0.579 18229 11823 1 19 . 1 1 4 4 SER C C 4 173.602 173.602 172.939 0.663 18229 11824 1 19 . 1 1 4 4 SER CA C 4 57.005 57.005 57.586 -0.581 18229 11825 1 19 . 1 1 4 4 SER CB C 4 65.989 65.989 66.697 -0.708 18229 11826 1 19 . 1 1 4 4 SER H H 4 7.817 7.817 7.548 0.269 18229 11827 1 19 . 1 1 5 5 GLY N N 5 106.959 106.959 105.985 0.974 18229 11828 1 19 . 1 1 5 5 GLY C C 5 171.058 171.058 171.825 -0.767 18229 11829 1 19 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.680 -0.209 18229 11830 1 19 . 1 1 5 5 GLY H H 5 8.356 8.356 8.720 -0.364 18229 11831 1 19 . 1 1 6 6 ALA N N 6 125.264 125.264 123.484 1.780 18229 11832 1 19 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.514 0.447 18229 11833 1 19 . 1 1 6 6 ALA C C 6 176.831 176.831 175.790 1.041 18229 11834 1 19 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.608 1.137 18229 11835 1 19 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.171 -0.791 18229 11836 1 19 . 1 1 6 6 ALA H H 6 8.641 8.641 8.327 0.314 18229 11837 1 19 . 1 1 7 7 ALA N N 7 119.937 119.937 122.777 -2.840 18229 11838 1 19 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.684 -0.029 18229 11839 1 19 . 1 1 7 7 ALA C C 7 176.683 176.683 175.794 0.889 18229 11840 1 19 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.798 0.947 18229 11841 1 19 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.711 1.326 18229 11842 1 19 . 1 1 7 7 ALA H H 7 8.370 8.370 7.853 0.517 18229 11843 1 19 . 1 1 8 8 ILE N N 8 125.430 125.430 119.649 5.781 18229 11844 1 19 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.296 -0.301 18229 11845 1 19 . 1 1 8 8 ILE C C 8 175.310 175.310 174.978 0.332 18229 11846 1 19 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.397 1.555 18229 11847 1 19 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.401 1.286 18229 11848 1 19 . 1 1 8 8 ILE H H 8 9.349 9.349 8.523 0.826 18229 11849 1 19 . 1 1 9 9 PHE N N 9 128.906 128.906 127.813 1.093 18229 11850 1 19 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.431 -0.139 18229 11851 1 19 . 1 1 9 9 PHE C C 9 173.925 173.925 174.633 -0.708 18229 11852 1 19 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.468 0.803 18229 11853 1 19 . 1 1 9 9 PHE CB C 9 39.567 39.567 40.081 -0.514 18229 11854 1 19 . 1 1 9 9 PHE H H 9 8.450 8.450 8.736 -0.286 18229 11855 1 19 . 1 1 10 10 GLU N N 10 126.509 126.509 127.174 -0.665 18229 11856 1 19 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.753 -0.549 18229 11857 1 19 . 1 1 10 10 GLU C C 10 175.157 175.157 175.788 -0.631 18229 11858 1 19 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.186 -0.407 18229 11859 1 19 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.877 -1.428 18229 11860 1 19 . 1 1 10 10 GLU H H 10 8.749 8.749 8.758 -0.009 18229 11861 1 19 . 1 1 11 11 LYS N N 11 105.729 105.729 114.397 -8.668 18229 11862 1 19 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.999 -0.596 18229 11863 1 19 . 1 1 11 11 LYS C C 11 175.543 175.543 175.291 0.252 18229 11864 1 19 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.654 0.900 18229 11865 1 19 . 1 1 11 11 LYS CB C 11 30.177 30.177 32.305 -2.128 18229 11866 1 19 . 1 1 11 11 LYS H H 11 7.931 7.931 8.508 -0.577 18229 11867 1 19 . 1 1 12 12 VAL N N 12 123.753 123.753 119.998 3.755 18229 11868 1 19 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.333 0.084 18229 11869 1 19 . 1 1 12 12 VAL C C 12 175.120 175.120 175.034 0.086 18229 11870 1 19 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.063 0.709 18229 11871 1 19 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.366 -0.085 18229 11872 1 19 . 1 1 12 12 VAL H H 12 7.901 7.901 7.299 0.602 18229 11873 1 19 . 1 1 13 13 SER N N 13 121.941 121.941 119.188 2.753 18229 11874 1 19 . 1 1 13 13 SER HA H 13 4.627 4.627 5.124 -0.497 18229 11875 1 19 . 1 1 13 13 SER C C 13 175.339 175.339 174.226 1.113 18229 11876 1 19 . 1 1 13 13 SER CA C 13 59.813 59.813 57.113 2.700 18229 11877 1 19 . 1 1 13 13 SER CB C 13 63.763 63.763 64.449 -0.686 18229 11878 1 19 . 1 1 13 13 SER H H 13 8.876 8.876 8.604 0.272 18229 11879 1 19 . 1 1 14 14 GLY N N 14 113.199 113.199 114.154 -0.955 18229 11880 1 19 . 1 1 14 14 GLY C C 14 172.742 172.742 172.847 -0.105 18229 11881 1 19 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.376 2.144 18229 11882 1 19 . 1 1 14 14 GLY H H 14 8.277 8.277 8.679 -0.402 18229 11883 1 19 . 1 1 15 15 ILE N N 15 123.240 123.240 120.015 3.225 18229 11884 1 19 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.480 0.330 18229 11885 1 19 . 1 1 15 15 ILE C C 15 175.370 175.370 174.390 0.980 18229 11886 1 19 . 1 1 15 15 ILE CA C 15 59.320 59.320 59.059 0.262 18229 11887 1 19 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.547 0.059 18229 11888 1 19 . 1 1 15 15 ILE H H 15 8.298 8.298 8.289 0.009 18229 11889 1 19 . 1 1 16 16 ILE N N 16 127.865 127.865 126.226 1.639 18229 11890 1 19 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.568 0.432 18229 11891 1 19 . 1 1 16 16 ILE C C 16 173.119 173.119 174.084 -0.965 18229 11892 1 19 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.637 0.118 18229 11893 1 19 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.833 1.035 18229 11894 1 19 . 1 1 16 16 ILE H H 16 9.428 9.428 9.009 0.419 18229 11895 1 19 . 1 1 17 17 ALA N N 17 127.742 127.742 129.595 -1.853 18229 11896 1 19 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.854 0.220 18229 11897 1 19 . 1 1 17 17 ALA C C 17 176.203 176.203 176.041 0.162 18229 11898 1 19 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.044 0.347 18229 11899 1 19 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.590 0.601 18229 11900 1 19 . 1 1 17 17 ALA H H 17 8.966 8.966 8.063 0.903 18229 11901 1 19 . 1 1 18 18 ILE N N 18 122.269 122.269 124.630 -2.361 18229 11902 1 19 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.200 0.421 18229 11903 1 19 . 1 1 18 18 ILE C C 18 174.306 174.306 175.624 -1.318 18229 11904 1 19 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.300 -0.799 18229 11905 1 19 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.386 -0.239 18229 11906 1 19 . 1 1 18 18 ILE H H 18 8.672 8.672 8.202 0.470 18229 11907 1 19 . 1 1 19 19 ASN N N 19 127.575 127.575 125.123 2.452 18229 11908 1 19 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.771 0.291 18229 11909 1 19 . 1 1 19 19 ASN C C 19 174.730 174.730 174.792 -0.062 18229 11910 1 19 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.346 -0.617 18229 11911 1 19 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.978 -0.482 18229 11912 1 19 . 1 1 19 19 ASN H H 19 9.350 9.350 8.870 0.480 18229 11913 1 19 . 1 1 20 20 GLU N N 20 121.547 121.547 123.849 -2.302 18229 11914 1 19 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.196 0.481 18229 11915 1 19 . 1 1 20 20 GLU C C 20 176.091 176.091 175.960 0.131 18229 11916 1 19 . 1 1 20 20 GLU CA C 20 55.802 55.802 56.939 -1.137 18229 11917 1 19 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.819 0.853 18229 11918 1 19 . 1 1 20 20 GLU H H 20 9.037 9.037 8.192 0.845 18229 11919 1 19 . 1 1 21 21 ASP N N 21 121.086 121.086 116.513 4.573 18229 11920 1 19 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.563 0.066 18229 11921 1 19 . 1 1 21 21 ASP C C 21 175.651 175.651 176.158 -0.507 18229 11922 1 19 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.694 0.805 18229 11923 1 19 . 1 1 21 21 ASP CB C 21 40.550 40.550 41.002 -0.452 18229 11924 1 19 . 1 1 21 21 ASP H H 21 8.706 8.706 7.992 0.714 18229 11925 1 19 . 1 1 22 22 VAL N N 22 113.108 113.108 116.768 -3.660 18229 11926 1 19 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.406 -0.090 18229 11927 1 19 . 1 1 22 22 VAL C C 22 173.407 173.407 175.014 -1.607 18229 11928 1 19 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.092 -0.939 18229 11929 1 19 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.502 0.527 18229 11930 1 19 . 1 1 22 22 VAL H H 22 6.819 6.819 7.247 -0.428 18229 11931 1 19 . 1 1 23 23 SER N N 23 115.009 115.009 112.910 2.099 18229 11932 1 19 . 1 1 23 23 SER HA H 23 4.735 4.735 4.651 0.084 18229 11933 1 19 . 1 1 23 23 SER CA C 23 53.848 53.848 57.356 -3.508 18229 11934 1 19 . 1 1 23 23 SER CB C 23 64.810 64.810 62.884 1.926 18229 11935 1 19 . 1 1 23 23 SER H H 23 8.032 8.032 8.175 -0.143 18229 11936 1 19 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.341 0.443 18229 11937 1 19 . 1 1 24 24 PRO C C 24 174.825 174.825 175.918 -1.093 18229 11938 1 19 . 1 1 24 24 PRO CA C 24 62.848 62.848 61.997 0.851 18229 11939 1 19 . 1 1 24 24 PRO CB C 24 34.801 34.801 31.884 2.917 18229 11940 1 19 . 1 1 25 25 ALA N N 25 120.477 120.477 121.575 -1.098 18229 11941 1 19 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.318 0.197 18229 11942 1 19 . 1 1 25 25 ALA C C 25 175.878 175.878 176.783 -0.905 18229 11943 1 19 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.181 0.427 18229 11944 1 19 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.248 0.206 18229 11945 1 19 . 1 1 25 25 ALA H H 25 8.013 8.013 8.211 -0.198 18229 11946 1 19 . 1 1 26 26 GLU N N 26 115.417 115.417 114.668 0.749 18229 11947 1 19 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.142 -0.071 18229 11948 1 19 . 1 1 26 26 GLU C C 26 174.599 174.599 174.719 -0.120 18229 11949 1 19 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.077 -1.090 18229 11950 1 19 . 1 1 26 26 GLU CB C 26 34.265 34.265 33.228 1.037 18229 11951 1 19 . 1 1 26 26 GLU H H 26 7.821 7.821 8.004 -0.183 18229 11952 1 19 . 1 1 27 27 LEU N N 27 124.622 124.622 121.237 3.385 18229 11953 1 19 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.288 -0.250 18229 11954 1 19 . 1 1 27 27 LEU C C 27 174.704 174.704 175.459 -0.755 18229 11955 1 19 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.254 0.503 18229 11956 1 19 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.755 0.891 18229 11957 1 19 . 1 1 27 27 LEU H H 27 8.863 8.863 9.057 -0.194 18229 11958 1 19 . 1 1 28 28 THR N N 28 121.755 121.755 118.325 3.430 18229 11959 1 19 . 1 1 28 28 THR HA H 28 5.152 5.152 5.027 0.125 18229 11960 1 19 . 1 1 28 28 THR C C 28 172.573 172.573 173.225 -0.652 18229 11961 1 19 . 1 1 28 28 THR CA C 28 61.452 61.452 62.453 -1.001 18229 11962 1 19 . 1 1 28 28 THR CB C 28 71.480 71.480 70.256 1.224 18229 11963 1 19 . 1 1 28 28 THR H H 28 9.276 9.276 8.861 0.415 18229 11964 1 19 . 1 1 29 29 TRP N N 29 128.764 128.764 131.222 -2.458 18229 11965 1 19 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.170 0.278 18229 11966 1 19 . 1 1 29 29 TRP C C 29 173.881 173.881 174.580 -0.699 18229 11967 1 19 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.082 -0.292 18229 11968 1 19 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.305 1.025 18229 11969 1 19 . 1 1 29 29 TRP H H 29 9.383 9.383 9.526 -0.143 18229 11970 1 19 . 1 1 30 30 ARG N N 30 126.417 126.417 127.369 -0.952 18229 11971 1 19 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.767 0.040 18229 11972 1 19 . 1 1 30 30 ARG C C 30 174.712 174.712 175.616 -0.904 18229 11973 1 19 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.369 0.099 18229 11974 1 19 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.697 1.121 18229 11975 1 19 . 1 1 30 30 ARG H H 30 7.579 7.579 9.091 -1.512 18229 11976 1 19 . 1 1 31 31 SER N N 31 118.415 118.415 119.622 -1.207 18229 11977 1 19 . 1 1 31 31 SER HA H 31 4.480 4.480 3.820 0.660 18229 11978 1 19 . 1 1 31 31 SER C C 31 176.360 176.360 175.456 0.904 18229 11979 1 19 . 1 1 31 31 SER CA C 31 58.070 58.070 59.718 -1.648 18229 11980 1 19 . 1 1 31 31 SER CB C 31 64.272 64.272 63.420 0.852 18229 11981 1 19 . 1 1 31 31 SER H H 31 8.078 8.078 8.666 -0.588 18229 11982 1 19 . 1 1 32 32 THR N N 32 119.175 119.175 117.604 1.571 18229 11983 1 19 . 1 1 32 32 THR HA H 32 3.847 3.847 4.133 -0.286 18229 11984 1 19 . 1 1 32 32 THR C C 32 175.602 175.602 175.601 0.001 18229 11985 1 19 . 1 1 32 32 THR CA C 32 66.265 66.265 65.400 0.865 18229 11986 1 19 . 1 1 32 32 THR CB C 32 68.557 68.557 68.962 -0.405 18229 11987 1 19 . 1 1 32 32 THR H H 32 8.520 8.520 8.292 0.228 18229 11988 1 19 . 1 1 33 33 ASP N N 33 117.286 117.286 119.883 -2.597 18229 11989 1 19 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.644 -0.027 18229 11990 1 19 . 1 1 33 33 ASP C C 33 177.056 177.056 176.554 0.502 18229 11991 1 19 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.695 -0.470 18229 11992 1 19 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.051 -0.173 18229 11993 1 19 . 1 1 33 33 ASP H H 33 8.223 8.223 8.340 -0.117 18229 11994 1 19 . 1 1 34 34 GLY N N 34 109.197 109.197 107.109 2.088 18229 11995 1 19 . 1 1 34 34 GLY C C 34 173.762 173.762 174.524 -0.762 18229 11996 1 19 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.105 0.294 18229 11997 1 19 . 1 1 34 34 GLY H H 34 7.914 7.914 7.848 0.066 18229 11998 1 19 . 1 1 35 35 ASP N N 35 118.081 118.081 119.448 -1.367 18229 11999 1 19 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.602 -0.083 18229 12000 1 19 . 1 1 35 35 ASP C C 35 175.366 175.366 176.831 -1.465 18229 12001 1 19 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.753 -0.893 18229 12002 1 19 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.179 -0.206 18229 12003 1 19 . 1 1 35 35 ASP H H 35 8.238 8.238 8.606 -0.368 18229 12004 1 19 . 1 1 36 36 LYS N N 36 120.362 120.362 116.520 3.842 18229 12005 1 19 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.402 0.432 18229 12006 1 19 . 1 1 36 36 LYS C C 36 174.568 174.568 173.722 0.846 18229 12007 1 19 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.560 -0.024 18229 12008 1 19 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.975 0.804 18229 12009 1 19 . 1 1 36 36 LYS H H 36 7.749 7.749 7.725 0.024 18229 12010 1 19 . 1 1 37 37 VAL N N 37 121.758 121.758 119.817 1.941 18229 12011 1 19 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.104 0.167 18229 12012 1 19 . 1 1 37 37 VAL C C 37 175.209 175.209 173.921 1.288 18229 12013 1 19 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.429 -0.166 18229 12014 1 19 . 1 1 37 37 VAL CB C 37 35.983 35.983 34.701 1.282 18229 12015 1 19 . 1 1 37 37 VAL H H 37 8.526 8.526 8.352 0.174 18229 12016 1 19 . 1 1 38 38 HIS N N 38 126.087 126.087 126.558 -0.471 18229 12017 1 19 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.970 0.051 18229 12018 1 19 . 1 1 38 38 HIS C C 38 173.116 173.116 174.607 -1.491 18229 12019 1 19 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.727 1.081 18229 12020 1 19 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.109 0.874 18229 12021 1 19 . 1 1 38 38 HIS H H 38 9.633 9.633 9.471 0.162 18229 12022 1 19 . 1 1 39 39 THR N N 39 124.455 124.455 120.233 4.222 18229 12023 1 19 . 1 1 39 39 THR HA H 39 5.155 5.155 5.129 0.026 18229 12024 1 19 . 1 1 39 39 THR C C 39 173.102 173.102 173.673 -0.571 18229 12025 1 19 . 1 1 39 39 THR CA C 39 61.637 61.637 61.825 -0.188 18229 12026 1 19 . 1 1 39 39 THR CB C 39 70.716 70.716 69.986 0.730 18229 12027 1 19 . 1 1 39 39 THR H H 39 8.415 8.415 8.692 -0.277 18229 12028 1 19 . 1 1 40 40 VAL N N 40 126.066 126.066 125.034 1.032 18229 12029 1 19 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.200 -0.247 18229 12030 1 19 . 1 1 40 40 VAL C C 40 174.693 174.693 173.894 0.799 18229 12031 1 19 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.704 -0.356 18229 12032 1 19 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.496 -2.222 18229 12033 1 19 . 1 1 40 40 VAL H H 40 9.387 9.387 9.343 0.044 18229 12034 1 19 . 1 1 41 41 VAL N N 41 129.775 129.775 128.581 1.194 18229 12035 1 19 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.521 -0.533 18229 12036 1 19 . 1 1 41 41 VAL C C 41 179.424 179.424 176.526 2.898 18229 12037 1 19 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.686 3.058 18229 12038 1 19 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.245 -0.294 18229 12039 1 19 . 1 1 41 41 VAL H H 41 9.021 9.021 8.724 0.297 18229 12040 1 19 . 1 1 42 42 LEU N N 42 129.645 129.645 128.489 1.156 18229 12041 1 19 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.078 -0.105 18229 12042 1 19 . 1 1 42 42 LEU C C 42 176.259 176.259 177.982 -1.723 18229 12043 1 19 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.636 1.007 18229 12044 1 19 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.244 -0.416 18229 12045 1 19 . 1 1 42 42 LEU H H 42 9.147 9.147 8.652 0.495 18229 12046 1 19 . 1 1 43 43 SER N N 43 110.158 110.158 111.694 -1.536 18229 12047 1 19 . 1 1 43 43 SER HA H 43 4.310 4.310 4.239 0.071 18229 12048 1 19 . 1 1 43 43 SER C C 43 175.263 175.263 175.961 -0.698 18229 12049 1 19 . 1 1 43 43 SER CA C 43 59.620 59.620 60.494 -0.874 18229 12050 1 19 . 1 1 43 43 SER CB C 43 61.543 61.543 63.550 -2.007 18229 12051 1 19 . 1 1 43 43 SER H H 43 7.006 7.006 8.103 -1.097 18229 12052 1 19 . 1 1 44 44 THR N N 44 110.206 110.206 113.410 -3.204 18229 12053 1 19 . 1 1 44 44 THR HA H 44 4.504 4.504 4.223 0.281 18229 12054 1 19 . 1 1 44 44 THR C C 44 173.489 173.489 176.097 -2.608 18229 12055 1 19 . 1 1 44 44 THR CA C 44 62.024 62.024 64.148 -2.124 18229 12056 1 19 . 1 1 44 44 THR CB C 44 69.805 69.805 69.156 0.649 18229 12057 1 19 . 1 1 44 44 THR H H 44 7.571 7.571 7.787 -0.216 18229 12058 1 19 . 1 1 45 45 ILE N N 45 120.322 120.322 124.666 -4.344 18229 12059 1 19 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.164 0.103 18229 12060 1 19 . 1 1 45 45 ILE C C 45 174.103 174.103 176.254 -2.151 18229 12061 1 19 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.405 -3.435 18229 12062 1 19 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.820 0.740 18229 12063 1 19 . 1 1 45 45 ILE H H 45 6.975 6.975 8.026 -1.051 18229 12064 1 19 . 1 1 46 46 ASP N N 46 126.492 126.492 127.567 -1.075 18229 12065 1 19 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.362 0.349 18229 12066 1 19 . 1 1 46 46 ASP C C 46 175.431 175.431 175.565 -0.134 18229 12067 1 19 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.537 -1.704 18229 12068 1 19 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.773 2.762 18229 12069 1 19 . 1 1 46 46 ASP H H 46 9.262 9.262 8.834 0.428 18229 12070 1 19 . 1 1 47 47 LYS N N 47 112.726 112.726 113.536 -0.810 18229 12071 1 19 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.463 0.244 18229 12072 1 19 . 1 1 47 47 LYS C C 47 172.673 172.673 173.871 -1.198 18229 12073 1 19 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.559 -0.738 18229 12074 1 19 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.494 2.115 18229 12075 1 19 . 1 1 47 47 LYS H H 47 7.572 7.572 7.388 0.184 18229 12076 1 19 . 1 1 48 48 LEU N N 48 124.840 124.840 122.988 1.852 18229 12077 1 19 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.968 0.083 18229 12078 1 19 . 1 1 48 48 LEU C C 48 173.965 173.965 175.707 -1.742 18229 12079 1 19 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.253 -1.233 18229 12080 1 19 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.394 2.170 18229 12081 1 19 . 1 1 48 48 LEU H H 48 9.013 9.013 8.436 0.577 18229 12082 1 19 . 1 1 49 49 GLN N N 49 121.648 121.648 126.461 -4.813 18229 12083 1 19 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.720 0.798 18229 12084 1 19 . 1 1 49 49 GLN C C 49 174.700 174.700 173.823 0.877 18229 12085 1 19 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.491 -0.892 18229 12086 1 19 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.993 1.033 18229 12087 1 19 . 1 1 49 49 GLN H H 49 9.260 9.260 9.349 -0.089 18229 12088 1 19 . 1 1 50 50 ALA N N 50 122.020 122.020 125.474 -3.454 18229 12089 1 19 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.087 0.660 18229 12090 1 19 . 1 1 50 50 ALA C C 50 177.167 177.167 176.628 0.539 18229 12091 1 19 . 1 1 50 50 ALA CA C 50 50.592 50.592 50.971 -0.380 18229 12092 1 19 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.247 2.116 18229 12093 1 19 . 1 1 50 50 ALA H H 50 9.286 9.286 8.352 0.934 18229 12094 1 19 . 1 1 51 51 THR N N 51 114.222 114.222 115.765 -1.543 18229 12095 1 19 . 1 1 51 51 THR HA H 51 4.735 4.735 4.298 0.437 18229 12096 1 19 . 1 1 51 51 THR CA C 51 59.228 59.228 61.317 -2.089 18229 12097 1 19 . 1 1 51 51 THR CB C 51 67.954 67.954 67.990 -0.036 18229 12098 1 19 . 1 1 51 51 THR H H 51 8.340 8.340 8.770 -0.430 18229 12099 1 19 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.455 0.115 18229 12100 1 19 . 1 1 52 52 PRO C C 52 178.621 178.621 177.408 1.213 18229 12101 1 19 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.481 -0.053 18229 12102 1 19 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.819 -0.100 18229 12103 1 19 . 1 1 53 53 ALA N N 53 126.566 126.566 123.382 3.184 18229 12104 1 19 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.090 -0.035 18229 12105 1 19 . 1 1 53 53 ALA C C 53 177.578 177.578 179.508 -1.930 18229 12106 1 19 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.697 0.124 18229 12107 1 19 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.701 -0.844 18229 12108 1 19 . 1 1 53 53 ALA H H 53 9.109 9.109 8.505 0.604 18229 12109 1 19 . 1 1 54 54 SER N N 54 107.184 107.184 111.731 -4.547 18229 12110 1 19 . 1 1 54 54 SER HA H 54 4.235 4.235 4.302 -0.067 18229 12111 1 19 . 1 1 54 54 SER C C 54 174.838 174.838 174.655 0.183 18229 12112 1 19 . 1 1 54 54 SER CA C 54 58.116 58.116 59.709 -1.593 18229 12113 1 19 . 1 1 54 54 SER CB C 54 63.021 63.021 63.083 -0.062 18229 12114 1 19 . 1 1 54 54 SER H H 54 7.595 7.595 8.309 -0.714 18229 12115 1 19 . 1 1 55 55 SER N N 55 117.098 117.098 116.180 0.918 18229 12116 1 19 . 1 1 55 55 SER HA H 55 4.484 4.484 4.562 -0.078 18229 12117 1 19 . 1 1 55 55 SER C C 55 174.833 174.833 174.986 -0.153 18229 12118 1 19 . 1 1 55 55 SER CA C 55 57.510 57.510 56.722 0.788 18229 12119 1 19 . 1 1 55 55 SER CB C 55 64.121 64.121 63.692 0.429 18229 12120 1 19 . 1 1 55 55 SER H H 55 7.613 7.613 7.295 0.318 18229 12121 1 19 . 1 1 56 56 GLU N N 56 125.258 125.258 127.320 -2.062 18229 12122 1 19 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.059 0.070 18229 12123 1 19 . 1 1 56 56 GLU C C 56 177.852 177.852 176.784 1.068 18229 12124 1 19 . 1 1 56 56 GLU CA C 56 57.612 57.612 57.772 -0.160 18229 12125 1 19 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.655 -0.231 18229 12126 1 19 . 1 1 56 56 GLU H H 56 8.849 8.849 8.826 0.023 18229 12127 1 19 . 1 1 57 57 LYS N N 57 119.058 119.058 119.023 0.035 18229 12128 1 19 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.183 0.116 18229 12129 1 19 . 1 1 57 57 LYS C C 57 175.699 175.699 175.986 -0.287 18229 12130 1 19 . 1 1 57 57 LYS CA C 57 55.645 55.645 56.007 -0.362 18229 12131 1 19 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.316 0.953 18229 12132 1 19 . 1 1 57 57 LYS H H 57 8.060 8.060 7.344 0.716 18229 12133 1 19 . 1 1 58 58 MET N N 58 123.967 123.967 125.939 -1.972 18229 12134 1 19 . 1 1 58 58 MET HA H 58 4.345 4.345 4.666 -0.321 18229 12135 1 19 . 1 1 58 58 MET C C 58 174.213 174.213 175.115 -0.902 18229 12136 1 19 . 1 1 58 58 MET CA C 58 55.170 55.170 55.045 0.125 18229 12137 1 19 . 1 1 58 58 MET CB C 58 35.330 35.330 33.315 2.015 18229 12138 1 19 . 1 1 58 58 MET H H 58 8.828 8.828 8.732 0.096 18229 12139 1 19 . 1 1 59 59 MET N N 59 120.929 120.929 121.732 -0.803 18229 12140 1 19 . 1 1 59 59 MET HA H 59 5.905 5.905 5.224 0.681 18229 12141 1 19 . 1 1 59 59 MET C C 59 174.521 174.521 173.932 0.589 18229 12142 1 19 . 1 1 59 59 MET CA C 59 55.038 55.038 55.387 -0.349 18229 12143 1 19 . 1 1 59 59 MET CB C 59 39.549 39.549 37.548 2.001 18229 12144 1 19 . 1 1 59 59 MET H H 59 8.528 8.528 8.985 -0.457 18229 12145 1 19 . 1 1 60 60 LEU N N 60 117.623 117.623 121.698 -4.075 18229 12146 1 19 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.004 0.661 18229 12147 1 19 . 1 1 60 60 LEU C C 60 175.763 175.763 175.125 0.638 18229 12148 1 19 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.792 -0.607 18229 12149 1 19 . 1 1 60 60 LEU CB C 60 47.561 47.561 44.855 2.706 18229 12150 1 19 . 1 1 60 60 LEU H H 60 9.052 9.052 9.350 -0.298 18229 12151 1 19 . 1 1 61 61 ARG N N 61 120.407 120.407 121.862 -1.455 18229 12152 1 19 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.778 -0.307 18229 12153 1 19 . 1 1 61 61 ARG C C 61 173.286 173.286 174.025 -0.739 18229 12154 1 19 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.288 0.643 18229 12155 1 19 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.511 -0.176 18229 12156 1 19 . 1 1 61 61 ARG H H 61 9.180 9.180 9.488 -0.308 18229 12157 1 19 . 1 1 62 62 LEU N N 62 126.471 126.471 125.072 1.399 18229 12158 1 19 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.177 0.021 18229 12159 1 19 . 1 1 62 62 LEU C C 62 175.447 175.447 176.112 -0.665 18229 12160 1 19 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.355 0.053 18229 12161 1 19 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.878 -1.445 18229 12162 1 19 . 1 1 62 62 LEU H H 62 9.203 9.203 8.973 0.230 18229 12163 1 19 . 1 1 63 63 ILE N N 63 123.282 123.282 123.284 -0.002 18229 12164 1 19 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.482 0.215 18229 12165 1 19 . 1 1 63 63 ILE C C 63 176.525 176.525 176.991 -0.466 18229 12166 1 19 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.439 0.237 18229 12167 1 19 . 1 1 63 63 ILE CB C 63 38.705 38.705 37.841 0.864 18229 12168 1 19 . 1 1 63 63 ILE H H 63 8.983 8.983 8.952 0.031 18229 12169 1 19 . 1 1 64 64 GLY N N 64 115.647 115.647 110.614 5.033 18229 12170 1 19 . 1 1 64 64 GLY C C 64 172.300 172.300 172.676 -0.376 18229 12171 1 19 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.444 2.218 18229 12172 1 19 . 1 1 64 64 GLY H H 64 9.372 9.372 8.719 0.653 18229 12173 1 19 . 1 1 65 65 LYS N N 65 119.107 119.107 119.886 -0.779 18229 12174 1 19 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.417 -0.111 18229 12175 1 19 . 1 1 65 65 LYS C C 65 177.404 177.404 175.643 1.761 18229 12176 1 19 . 1 1 65 65 LYS CA C 65 56.501 56.501 55.462 1.039 18229 12177 1 19 . 1 1 65 65 LYS CB C 65 34.418 34.418 33.271 1.147 18229 12178 1 19 . 1 1 65 65 LYS H H 65 8.289 8.289 8.335 -0.046 18229 12179 1 19 . 1 1 66 66 VAL N N 66 122.231 122.231 125.366 -3.135 18229 12180 1 19 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.171 -0.092 18229 12181 1 19 . 1 1 66 66 VAL C C 66 175.253 175.253 175.685 -0.432 18229 12182 1 19 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.884 0.252 18229 12183 1 19 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.092 0.192 18229 12184 1 19 . 1 1 66 66 VAL H H 66 8.607 8.607 8.244 0.363 18229 12185 1 19 . 1 1 67 67 ASP N N 67 125.538 125.538 123.606 1.932 18229 12186 1 19 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.816 -0.117 18229 12187 1 19 . 1 1 67 67 ASP C C 67 176.601 176.601 174.471 2.130 18229 12188 1 19 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.930 -0.872 18229 12189 1 19 . 1 1 67 67 ASP CB C 67 40.872 40.872 41.170 -0.298 18229 12190 1 19 . 1 1 67 67 ASP H H 67 8.457 8.457 8.350 0.107 18229 12191 1 19 . 1 1 68 68 GLU N N 68 124.433 124.433 117.950 6.483 18229 12192 1 19 . 1 1 68 68 GLU HA H 68 4.124 4.124 3.984 0.140 18229 12193 1 19 . 1 1 68 68 GLU C C 68 177.344 177.344 175.496 1.848 18229 12194 1 19 . 1 1 68 68 GLU CA C 68 57.635 57.635 57.596 0.039 18229 12195 1 19 . 1 1 68 68 GLU CB C 68 29.680 29.680 28.821 0.859 18229 12196 1 19 . 1 1 68 68 GLU H H 68 8.712 8.712 8.591 0.121 18229 12197 1 19 . 1 1 69 69 SER N N 69 115.596 115.596 112.151 3.445 18229 12198 1 19 . 1 1 69 69 SER HA H 69 4.328 4.328 4.372 -0.044 18229 12199 1 19 . 1 1 69 69 SER C C 69 175.180 175.180 175.789 -0.609 18229 12200 1 19 . 1 1 69 69 SER CA C 69 60.146 60.146 59.459 0.688 18229 12201 1 19 . 1 1 69 69 SER CB C 69 63.383 63.383 63.495 -0.112 18229 12202 1 19 . 1 1 69 69 SER H H 69 8.467 8.467 8.245 0.222 18229 12203 1 19 . 1 1 70 70 LYS N N 70 121.738 121.738 122.137 -0.399 18229 12204 1 19 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.095 0.311 18229 12205 1 19 . 1 1 70 70 LYS C C 70 176.165 176.165 175.835 0.330 18229 12206 1 19 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.710 -1.300 18229 12207 1 19 . 1 1 70 70 LYS CB C 70 32.500 32.500 32.646 -0.146 18229 12208 1 19 . 1 1 70 70 LYS H H 70 7.675 7.675 8.097 -0.422 18229 12209 1 19 . 1 1 71 71 LYS N N 71 121.087 121.087 115.940 5.147 18229 12210 1 19 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.155 0.253 18229 12211 1 19 . 1 1 71 71 LYS C C 71 176.134 176.134 175.567 0.567 18229 12212 1 19 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.785 -0.180 18229 12213 1 19 . 1 1 71 71 LYS CB C 71 33.283 33.283 30.902 2.381 18229 12214 1 19 . 1 1 71 71 LYS H H 71 7.739 7.739 8.311 -0.572 18229 12215 1 19 . 1 1 72 72 ARG N N 72 122.147 122.147 121.958 0.189 18229 12216 1 19 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.644 -0.060 18229 12217 1 19 . 1 1 72 72 ARG C C 72 175.217 175.217 175.869 -0.652 18229 12218 1 19 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.199 0.842 18229 12219 1 19 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.888 0.466 18229 12220 1 19 . 1 1 72 72 ARG H H 72 8.402 8.402 8.879 -0.477 18229 12221 1 19 . 1 1 73 73 LYS N N 73 121.242 121.242 125.752 -4.510 18229 12222 1 19 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.217 0.682 18229 12223 1 19 . 1 1 73 73 LYS C C 73 176.966 176.966 175.934 1.032 18229 12224 1 19 . 1 1 73 73 LYS CA C 73 55.365 55.365 56.660 -1.295 18229 12225 1 19 . 1 1 73 73 LYS CB C 73 34.631 34.631 32.872 1.759 18229 12226 1 19 . 1 1 73 73 LYS H H 73 8.386 8.386 8.566 -0.180 18229 12227 1 19 . 1 1 74 74 ASP N N 74 122.007 122.007 120.585 1.422 18229 12228 1 19 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.718 -0.067 18229 12229 1 19 . 1 1 74 74 ASP C C 74 177.401 177.401 177.573 -0.172 18229 12230 1 19 . 1 1 74 74 ASP CA C 74 52.840 52.840 53.384 -0.544 18229 12231 1 19 . 1 1 74 74 ASP CB C 74 41.008 41.008 41.949 -0.941 18229 12232 1 19 . 1 1 74 74 ASP H H 74 8.559 8.559 8.256 0.303 18229 12233 1 19 . 1 1 75 75 ASN N N 75 116.263 116.263 117.525 -1.262 18229 12234 1 19 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.570 -0.035 18229 12235 1 19 . 1 1 75 75 ASN C C 75 175.944 175.944 175.510 0.434 18229 12236 1 19 . 1 1 75 75 ASN CA C 75 54.877 54.877 54.837 0.040 18229 12237 1 19 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.426 -0.316 18229 12238 1 19 . 1 1 75 75 ASN H H 75 8.414 8.414 8.501 -0.087 18229 12239 1 19 . 1 1 76 76 GLU N N 76 118.940 118.940 117.008 1.932 18229 12240 1 19 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.401 -0.008 18229 12241 1 19 . 1 1 76 76 GLU C C 76 176.512 176.512 176.074 0.438 18229 12242 1 19 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.594 0.572 18229 12243 1 19 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.786 0.224 18229 12244 1 19 . 1 1 76 76 GLU H H 76 8.133 8.133 8.001 0.132 18229 12245 1 19 . 1 1 77 77 GLY N N 77 108.056 108.056 109.597 -1.541 18229 12246 1 19 . 1 1 77 77 GLY C C 77 174.193 174.193 174.406 -0.213 18229 12247 1 19 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.828 -0.541 18229 12248 1 19 . 1 1 77 77 GLY H H 77 8.083 8.083 7.684 0.399 18229 12249 1 19 . 1 1 78 78 ASN N N 78 119.896 119.896 116.965 2.931 18229 12250 1 19 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.616 0.126 18229 12251 1 19 . 1 1 78 78 ASN C C 78 175.006 175.006 175.049 -0.043 18229 12252 1 19 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.922 -0.095 18229 12253 1 19 . 1 1 78 78 ASN CB C 78 38.996 38.996 38.384 0.612 18229 12254 1 19 . 1 1 78 78 ASN H H 78 8.537 8.537 8.218 0.319 18229 12255 1 19 . 1 1 79 79 GLU N N 79 121.648 121.648 116.192 5.456 18229 12256 1 19 . 1 1 79 79 GLU HA H 79 4.471 4.471 3.981 0.490 18229 12257 1 19 . 1 1 79 79 GLU C C 79 176.268 176.268 175.036 1.232 18229 12258 1 19 . 1 1 79 79 GLU CA C 79 56.610 56.610 56.838 -0.228 18229 12259 1 19 . 1 1 79 79 GLU CB C 79 30.307 30.307 27.999 2.308 18229 12260 1 19 . 1 1 79 79 GLU H H 79 8.674 8.674 8.012 0.662 18229 12261 1 19 . 1 1 80 80 VAL N N 80 124.083 124.083 121.700 2.383 18229 12262 1 19 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.340 -0.092 18229 12263 1 19 . 1 1 80 80 VAL C C 80 175.537 175.537 175.261 0.276 18229 12264 1 19 . 1 1 80 80 VAL CA C 80 61.465 61.465 60.408 1.057 18229 12265 1 19 . 1 1 80 80 VAL CB C 80 33.553 33.553 34.739 -1.187 18229 12266 1 19 . 1 1 80 80 VAL H H 80 8.554 8.554 8.400 0.154 18229 12267 1 19 . 1 1 81 81 VAL N N 81 126.640 126.640 124.476 2.164 18229 12268 1 19 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.314 0.113 18229 12269 1 19 . 1 1 81 81 VAL CA C 81 59.605 59.605 58.848 0.757 18229 12270 1 19 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.240 1.636 18229 12271 1 19 . 1 1 81 81 VAL H H 81 8.390 8.390 8.464 -0.074 18229 12272 1 19 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.284 0.143 18229 12273 1 19 . 1 1 82 82 PRO C C 82 176.034 176.034 176.584 -0.550 18229 12274 1 19 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.085 -0.375 18229 12275 1 19 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.091 0.261 18229 12276 1 19 . 1 1 83 83 LYS N N 83 121.719 121.719 121.542 0.177 18229 12277 1 19 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.094 0.454 18229 12278 1 19 . 1 1 83 83 LYS CA C 83 53.856 53.856 56.339 -2.483 18229 12279 1 19 . 1 1 83 83 LYS CB C 83 32.330 32.330 31.877 0.453 18229 12280 1 19 . 1 1 83 83 LYS H H 83 8.308 8.308 8.283 0.025 18229 12281 1 19 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.454 -0.158 18229 12282 1 19 . 1 1 84 84 PRO C C 84 176.773 176.773 175.979 0.794 18229 12283 1 19 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.413 0.143 18229 12284 1 19 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.403 0.215 18229 12285 1 19 . 1 1 85 85 GLN N N 85 121.395 121.395 118.045 3.350 18229 12286 1 19 . 1 1 85 85 GLN HA H 85 4.141 4.141 3.948 0.193 18229 12287 1 19 . 1 1 85 85 GLN C C 85 174.940 174.940 175.844 -0.904 18229 12288 1 19 . 1 1 85 85 GLN CA C 85 56.062 56.062 57.749 -1.687 18229 12289 1 19 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.126 0.604 18229 12290 1 19 . 1 1 85 85 GLN H H 85 8.464 8.464 8.376 0.088 18229 12291 1 19 . 1 1 86 86 ARG N N 86 121.035 121.035 119.372 1.663 18229 12292 1 19 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.642 0.485 18229 12293 1 19 . 1 1 86 86 ARG C C 86 175.052 175.052 174.654 0.398 18229 12294 1 19 . 1 1 86 86 ARG CA C 86 54.534 54.534 56.118 -1.584 18229 12295 1 19 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.141 0.192 18229 12296 1 19 . 1 1 86 86 ARG H H 86 8.248 8.248 8.393 -0.145 18229 12297 1 19 . 1 1 87 87 HIS N N 87 120.780 120.780 123.979 -3.199 18229 12298 1 19 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.607 0.075 18229 12299 1 19 . 1 1 87 87 HIS C C 87 173.558 173.558 173.811 -0.253 18229 12300 1 19 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.801 -0.609 18229 12301 1 19 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.977 2.078 18229 12302 1 19 . 1 1 87 87 HIS H H 87 8.659 8.659 9.014 -0.355 18229 12303 1 19 . 1 1 88 88 MET N N 88 126.780 126.780 123.328 3.452 18229 12304 1 19 . 1 1 88 88 MET HA H 88 5.283 5.283 4.373 0.910 18229 12305 1 19 . 1 1 88 88 MET C C 88 173.297 173.297 173.629 -0.332 18229 12306 1 19 . 1 1 88 88 MET CA C 88 54.835 54.835 54.998 -0.163 18229 12307 1 19 . 1 1 88 88 MET CB C 88 35.794 35.794 34.073 1.721 18229 12308 1 19 . 1 1 88 88 MET H H 88 8.710 8.710 8.236 0.474 18229 12309 1 19 . 1 1 89 89 PHE N N 89 122.543 122.543 123.648 -1.105 18229 12310 1 19 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.383 -0.188 18229 12311 1 19 . 1 1 89 89 PHE C C 89 174.410 174.410 174.853 -0.443 18229 12312 1 19 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.925 0.454 18229 12313 1 19 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.830 2.359 18229 12314 1 19 . 1 1 89 89 PHE H H 89 8.969 8.969 9.303 -0.334 18229 12315 1 19 . 1 1 90 90 SER N N 90 116.192 116.192 120.632 -4.440 18229 12316 1 19 . 1 1 90 90 SER HA H 90 5.696 5.696 4.870 0.826 18229 12317 1 19 . 1 1 90 90 SER C C 90 173.030 173.030 174.173 -1.143 18229 12318 1 19 . 1 1 90 90 SER CA C 90 56.771 56.771 58.386 -1.615 18229 12319 1 19 . 1 1 90 90 SER CB C 90 64.961 64.961 63.446 1.515 18229 12320 1 19 . 1 1 90 90 SER H H 90 8.657 8.657 8.687 -0.030 18229 12321 1 19 . 1 1 91 91 PHE N N 91 120.710 120.710 125.332 -4.622 18229 12322 1 19 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.672 0.215 18229 12323 1 19 . 1 1 91 91 PHE C C 91 174.442 174.442 175.572 -1.130 18229 12324 1 19 . 1 1 91 91 PHE CA C 91 57.425 57.425 57.482 -0.057 18229 12325 1 19 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.575 2.817 18229 12326 1 19 . 1 1 91 91 PHE H H 91 9.001 9.001 8.579 0.422 18229 12327 1 19 . 1 1 92 92 ASN N N 92 115.967 115.967 119.923 -3.956 18229 12328 1 19 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.785 0.322 18229 12329 1 19 . 1 1 92 92 ASN C C 92 174.835 174.835 173.840 0.995 18229 12330 1 19 . 1 1 92 92 ASN CA C 92 52.251 52.251 53.090 -0.839 18229 12331 1 19 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.148 0.741 18229 12332 1 19 . 1 1 92 92 ASN H H 92 9.093 9.093 8.774 0.319 18229 12333 1 19 . 1 1 93 93 ASN N N 93 118.401 118.401 116.401 2.000 18229 12334 1 19 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.804 0.118 18229 12335 1 19 . 1 1 93 93 ASN C C 93 174.524 174.524 174.708 -0.184 18229 12336 1 19 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.496 -0.483 18229 12337 1 19 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.085 1.676 18229 12338 1 19 . 1 1 93 93 ASN H H 93 7.252 7.252 7.748 -0.496 18229 12339 1 19 . 1 1 94 94 ARG N N 94 129.175 129.175 123.569 5.606 18229 12340 1 19 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.102 -0.237 18229 12341 1 19 . 1 1 94 94 ARG C C 94 176.797 176.797 177.569 -0.772 18229 12342 1 19 . 1 1 94 94 ARG CA C 94 59.483 59.483 58.895 0.588 18229 12343 1 19 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.164 -0.035 18229 12344 1 19 . 1 1 94 94 ARG H H 94 9.309 9.309 8.821 0.488 18229 12345 1 19 . 1 1 95 95 THR N N 95 115.594 115.594 115.568 0.026 18229 12346 1 19 . 1 1 95 95 THR HA H 95 4.021 4.021 4.174 -0.153 18229 12347 1 19 . 1 1 95 95 THR C C 95 176.735 176.735 176.560 0.175 18229 12348 1 19 . 1 1 95 95 THR CA C 95 66.430 66.430 66.566 -0.136 18229 12349 1 19 . 1 1 95 95 THR CB C 95 68.357 68.357 68.499 -0.141 18229 12350 1 19 . 1 1 95 95 THR H H 95 7.973 7.973 8.177 -0.204 18229 12351 1 19 . 1 1 96 96 VAL N N 96 121.833 121.833 121.001 0.832 18229 12352 1 19 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.703 0.080 18229 12353 1 19 . 1 1 96 96 VAL C C 96 177.561 177.561 178.396 -0.835 18229 12354 1 19 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.446 -0.321 18229 12355 1 19 . 1 1 96 96 VAL CB C 96 32.201 32.201 30.776 1.425 18229 12356 1 19 . 1 1 96 96 VAL H H 96 7.565 7.565 7.557 0.008 18229 12357 1 19 . 1 1 97 97 MET N N 97 117.429 117.429 118.547 -1.118 18229 12358 1 19 . 1 1 97 97 MET HA H 97 4.551 4.551 3.876 0.675 18229 12359 1 19 . 1 1 97 97 MET C C 97 177.257 177.257 178.494 -1.237 18229 12360 1 19 . 1 1 97 97 MET CA C 97 59.753 59.753 59.218 0.534 18229 12361 1 19 . 1 1 97 97 MET CB C 97 32.515 32.515 31.460 1.055 18229 12362 1 19 . 1 1 97 97 MET H H 97 7.336 7.336 8.006 -0.670 18229 12363 1 19 . 1 1 98 98 ASP N N 98 118.159 118.159 119.128 -0.969 18229 12364 1 19 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.339 -0.024 18229 12365 1 19 . 1 1 98 98 ASP C C 98 178.771 178.771 178.053 0.718 18229 12366 1 19 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.291 0.313 18229 12367 1 19 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.719 -1.055 18229 12368 1 19 . 1 1 98 98 ASP H H 98 8.712 8.712 8.110 0.602 18229 12369 1 19 . 1 1 99 99 ASN N N 99 120.354 120.354 117.344 3.010 18229 12370 1 19 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.620 -0.140 18229 12371 1 19 . 1 1 99 99 ASN C C 99 178.232 178.232 177.698 0.534 18229 12372 1 19 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.874 0.426 18229 12373 1 19 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.701 -1.253 18229 12374 1 19 . 1 1 99 99 ASN H H 99 8.084 8.084 7.699 0.385 18229 12375 1 19 . 1 1 100 100 ILE N N 100 120.990 120.990 121.552 -0.562 18229 12376 1 19 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.822 -0.185 18229 12377 1 19 . 1 1 100 100 ILE C C 100 177.463 177.463 177.612 -0.149 18229 12378 1 19 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.874 -2.101 18229 12379 1 19 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.135 -1.668 18229 12380 1 19 . 1 1 100 100 ILE H H 100 8.017 8.017 9.022 -1.005 18229 12381 1 19 . 1 1 101 101 LYS N N 101 120.814 120.814 120.168 0.646 18229 12382 1 19 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.855 -0.220 18229 12383 1 19 . 1 1 101 101 LYS C C 101 177.365 177.365 179.249 -1.884 18229 12384 1 19 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.961 0.675 18229 12385 1 19 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.015 0.976 18229 12386 1 19 . 1 1 101 101 LYS H H 101 8.944 8.944 8.164 0.780 18229 12387 1 19 . 1 1 102 102 MET N N 102 116.514 116.514 115.294 1.220 18229 12388 1 19 . 1 1 102 102 MET HA H 102 4.209 4.209 4.534 -0.325 18229 12389 1 19 . 1 1 102 102 MET C C 102 178.925 178.925 178.355 0.570 18229 12390 1 19 . 1 1 102 102 MET CA C 102 58.720 58.720 58.640 0.080 18229 12391 1 19 . 1 1 102 102 MET CB C 102 32.299 32.299 32.656 -0.357 18229 12392 1 19 . 1 1 102 102 MET H H 102 8.123 8.123 7.652 0.471 18229 12393 1 19 . 1 1 103 103 THR N N 103 118.583 118.583 117.275 1.308 18229 12394 1 19 . 1 1 103 103 THR HA H 103 3.882 3.882 4.176 -0.294 18229 12395 1 19 . 1 1 103 103 THR C C 103 176.474 176.474 176.232 0.242 18229 12396 1 19 . 1 1 103 103 THR CA C 103 66.489 66.489 66.677 -0.188 18229 12397 1 19 . 1 1 103 103 THR CB C 103 67.864 67.864 68.744 -0.880 18229 12398 1 19 . 1 1 103 103 THR H H 103 7.768 7.768 7.530 0.238 18229 12399 1 19 . 1 1 104 104 LEU N N 104 119.575 119.575 122.096 -2.521 18229 12400 1 19 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.960 -0.078 18229 12401 1 19 . 1 1 104 104 LEU C C 104 177.935 177.935 178.467 -0.532 18229 12402 1 19 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.794 -0.818 18229 12403 1 19 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.525 0.797 18229 12404 1 19 . 1 1 104 104 LEU H H 104 8.537 8.537 8.811 -0.274 18229 12405 1 19 . 1 1 105 105 GLN N N 105 119.463 119.463 116.723 2.740 18229 12406 1 19 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.841 -0.132 18229 12407 1 19 . 1 1 105 105 GLN C C 105 178.507 178.507 178.484 0.023 18229 12408 1 19 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.699 1.041 18229 12409 1 19 . 1 1 105 105 GLN CB C 105 28.639 28.639 27.799 0.840 18229 12410 1 19 . 1 1 105 105 GLN H H 105 8.736 8.736 7.851 0.885 18229 12411 1 19 . 1 1 106 106 GLN N N 106 118.984 118.984 118.953 0.031 18229 12412 1 19 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.043 -0.067 18229 12413 1 19 . 1 1 106 106 GLN C C 106 178.454 178.454 178.578 -0.124 18229 12414 1 19 . 1 1 106 106 GLN CA C 106 59.018 59.018 59.000 0.018 18229 12415 1 19 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.724 -0.272 18229 12416 1 19 . 1 1 106 106 GLN H H 106 7.689 7.689 7.771 -0.082 18229 12417 1 19 . 1 1 107 107 ILE N N 107 119.928 119.928 119.231 0.697 18229 12418 1 19 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.870 -0.407 18229 12419 1 19 . 1 1 107 107 ILE C C 107 177.492 177.492 178.129 -0.637 18229 12420 1 19 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.326 1.116 18229 12421 1 19 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.271 1.224 18229 12422 1 19 . 1 1 107 107 ILE H H 107 7.910 7.910 7.383 0.527 18229 12423 1 19 . 1 1 108 108 ILE N N 108 117.958 117.958 121.847 -3.889 18229 12424 1 19 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.426 2.333 18229 12425 1 19 . 1 1 108 108 ILE C C 108 178.625 178.625 177.836 0.789 18229 12426 1 19 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.944 0.635 18229 12427 1 19 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.522 1.730 18229 12428 1 19 . 1 1 108 108 ILE H H 108 8.767 8.767 8.384 0.383 18229 12429 1 19 . 1 1 109 109 SER N N 109 113.450 113.450 115.271 -1.821 18229 12430 1 19 . 1 1 109 109 SER HA H 109 4.271 4.271 3.986 0.285 18229 12431 1 19 . 1 1 109 109 SER C C 109 175.966 175.966 176.174 -0.208 18229 12432 1 19 . 1 1 109 109 SER CA C 109 62.205 62.205 61.854 0.351 18229 12433 1 19 . 1 1 109 109 SER CB C 109 63.094 63.094 62.529 0.565 18229 12434 1 19 . 1 1 109 109 SER H H 109 7.797 7.797 8.268 -0.471 18229 12435 1 19 . 1 1 110 110 ARG N N 110 120.739 120.739 120.737 0.002 18229 12436 1 19 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.168 -0.049 18229 12437 1 19 . 1 1 110 110 ARG C C 110 179.056 179.056 178.804 0.252 18229 12438 1 19 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.833 -0.013 18229 12439 1 19 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.160 -0.361 18229 12440 1 19 . 1 1 110 110 ARG H H 110 7.450 7.450 8.147 -0.697 18229 12441 1 19 . 1 1 111 111 TYR N N 111 117.972 117.972 118.536 -0.564 18229 12442 1 19 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.401 0.305 18229 12443 1 19 . 1 1 111 111 TYR C C 111 177.853 177.853 177.958 -0.105 18229 12444 1 19 . 1 1 111 111 TYR CA C 111 58.613 58.613 57.486 1.127 18229 12445 1 19 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.336 -0.028 18229 12446 1 19 . 1 1 111 111 TYR H H 111 7.558 7.558 8.453 -0.895 18229 12447 1 19 . 1 1 112 112 LYS N N 112 120.615 120.615 118.300 2.315 18229 12448 1 19 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.246 0.135 18229 12449 1 19 . 1 1 112 112 LYS C C 112 177.893 177.893 177.998 -0.105 18229 12450 1 19 . 1 1 112 112 LYS CA C 112 57.589 57.589 56.995 0.594 18229 12451 1 19 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.024 0.579 18229 12452 1 19 . 1 1 112 112 LYS H H 112 8.080 8.080 7.426 0.654 18229 12453 1 19 . 1 1 113 113 ASP N N 113 120.325 120.325 120.114 0.211 18229 12454 1 19 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.487 0.157 18229 12455 1 19 . 1 1 113 113 ASP C C 113 176.950 176.950 177.242 -0.292 18229 12456 1 19 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.929 -0.666 18229 12457 1 19 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.853 0.038 18229 12458 1 19 . 1 1 113 113 ASP H H 113 8.191 8.191 8.321 -0.130 18229 12459 1 19 . 1 1 114 114 ALA N N 114 122.906 122.906 119.572 3.334 18229 12460 1 19 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.432 -0.084 18229 12461 1 19 . 1 1 114 114 ALA C C 114 178.055 178.055 177.195 0.860 18229 12462 1 19 . 1 1 114 114 ALA CA C 114 53.174 53.174 53.010 0.164 18229 12463 1 19 . 1 1 114 114 ALA CB C 114 19.100 19.100 20.034 -0.934 18229 12464 1 19 . 1 1 114 114 ALA H H 114 7.900 7.900 7.747 0.153 18229 12465 1 20 . 1 1 2 2 SER N N 2 113.055 113.055 113.460 -0.405 18229 12466 1 20 . 1 1 2 2 SER HA H 2 4.418 4.418 4.354 0.064 18229 12467 1 20 . 1 1 2 2 SER C C 2 174.994 174.994 175.722 -0.728 18229 12468 1 20 . 1 1 2 2 SER CA C 2 58.540 58.540 59.976 -1.436 18229 12469 1 20 . 1 1 2 2 SER CB C 2 63.748 63.748 63.375 0.373 18229 12470 1 20 . 1 1 2 2 SER H H 2 8.061 8.061 8.244 -0.183 18229 12471 1 20 . 1 1 3 3 HIS N N 3 119.062 119.062 119.878 -0.816 18229 12472 1 20 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.403 0.332 18229 12473 1 20 . 1 1 3 3 HIS C C 3 173.417 173.417 174.160 -0.743 18229 12474 1 20 . 1 1 3 3 HIS CA C 3 55.304 55.304 57.252 -1.948 18229 12475 1 20 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.890 -0.343 18229 12476 1 20 . 1 1 3 3 HIS H H 3 8.410 8.410 8.465 -0.055 18229 12477 1 20 . 1 1 4 4 SER N N 4 113.520 113.520 111.126 2.394 18229 12478 1 20 . 1 1 4 4 SER HA H 4 5.516 5.516 4.932 0.584 18229 12479 1 20 . 1 1 4 4 SER C C 4 173.602 173.602 172.850 0.752 18229 12480 1 20 . 1 1 4 4 SER CA C 4 57.005 57.005 57.092 -0.087 18229 12481 1 20 . 1 1 4 4 SER CB C 4 65.989 65.989 66.811 -0.822 18229 12482 1 20 . 1 1 4 4 SER H H 4 7.817 7.817 7.595 0.222 18229 12483 1 20 . 1 1 5 5 GLY N N 5 106.959 106.959 105.399 1.560 18229 12484 1 20 . 1 1 5 5 GLY C C 5 171.058 171.058 171.836 -0.778 18229 12485 1 20 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.666 -0.195 18229 12486 1 20 . 1 1 5 5 GLY H H 5 8.356 8.356 8.707 -0.351 18229 12487 1 20 . 1 1 6 6 ALA N N 6 125.264 125.264 123.392 1.872 18229 12488 1 20 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.542 0.419 18229 12489 1 20 . 1 1 6 6 ALA C C 6 176.831 176.831 175.824 1.007 18229 12490 1 20 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.548 1.197 18229 12491 1 20 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.234 -0.854 18229 12492 1 20 . 1 1 6 6 ALA H H 6 8.641 8.641 8.397 0.244 18229 12493 1 20 . 1 1 7 7 ALA N N 7 119.937 119.937 122.091 -2.154 18229 12494 1 20 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.436 0.219 18229 12495 1 20 . 1 1 7 7 ALA C C 7 176.683 176.683 175.633 1.050 18229 12496 1 20 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.889 0.856 18229 12497 1 20 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.375 1.662 18229 12498 1 20 . 1 1 7 7 ALA H H 7 8.370 8.370 7.790 0.580 18229 12499 1 20 . 1 1 8 8 ILE N N 8 125.430 125.430 119.798 5.632 18229 12500 1 20 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.270 -0.275 18229 12501 1 20 . 1 1 8 8 ILE C C 8 175.310 175.310 174.625 0.685 18229 12502 1 20 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.354 1.598 18229 12503 1 20 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.128 1.559 18229 12504 1 20 . 1 1 8 8 ILE H H 8 9.349 9.349 8.400 0.949 18229 12505 1 20 . 1 1 9 9 PHE N N 9 128.906 128.906 127.804 1.102 18229 12506 1 20 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.372 -0.080 18229 12507 1 20 . 1 1 9 9 PHE C C 9 173.925 173.925 174.675 -0.750 18229 12508 1 20 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.148 1.123 18229 12509 1 20 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.797 -0.230 18229 12510 1 20 . 1 1 9 9 PHE H H 9 8.450 8.450 8.640 -0.190 18229 12511 1 20 . 1 1 10 10 GLU N N 10 126.509 126.509 127.599 -1.090 18229 12512 1 20 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.778 -0.574 18229 12513 1 20 . 1 1 10 10 GLU C C 10 175.157 175.157 175.593 -0.436 18229 12514 1 20 . 1 1 10 10 GLU CA C 10 56.779 56.779 56.944 -0.165 18229 12515 1 20 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.941 -1.492 18229 12516 1 20 . 1 1 10 10 GLU H H 10 8.749 8.749 8.824 -0.075 18229 12517 1 20 . 1 1 11 11 LYS N N 11 105.729 105.729 111.069 -5.340 18229 12518 1 20 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.883 -0.480 18229 12519 1 20 . 1 1 11 11 LYS C C 11 175.543 175.543 175.541 0.002 18229 12520 1 20 . 1 1 11 11 LYS CA C 11 58.554 58.554 58.052 0.502 18229 12521 1 20 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.345 -1.168 18229 12522 1 20 . 1 1 11 11 LYS H H 11 7.931 7.931 8.448 -0.517 18229 12523 1 20 . 1 1 12 12 VAL N N 12 123.753 123.753 121.071 2.682 18229 12524 1 20 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.278 0.139 18229 12525 1 20 . 1 1 12 12 VAL C C 12 175.120 175.120 175.109 0.011 18229 12526 1 20 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.336 0.436 18229 12527 1 20 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.724 -0.443 18229 12528 1 20 . 1 1 12 12 VAL H H 12 7.901 7.901 7.358 0.543 18229 12529 1 20 . 1 1 13 13 SER N N 13 121.941 121.941 120.042 1.899 18229 12530 1 20 . 1 1 13 13 SER HA H 13 4.627 4.627 5.107 -0.480 18229 12531 1 20 . 1 1 13 13 SER C C 13 175.339 175.339 174.259 1.080 18229 12532 1 20 . 1 1 13 13 SER CA C 13 59.813 59.813 57.812 2.001 18229 12533 1 20 . 1 1 13 13 SER CB C 13 63.763 63.763 63.913 -0.150 18229 12534 1 20 . 1 1 13 13 SER H H 13 8.876 8.876 8.700 0.176 18229 12535 1 20 . 1 1 14 14 GLY N N 14 113.199 113.199 114.166 -0.967 18229 12536 1 20 . 1 1 14 14 GLY C C 14 172.742 172.742 172.776 -0.034 18229 12537 1 20 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.496 2.024 18229 12538 1 20 . 1 1 14 14 GLY H H 14 8.277 8.277 8.766 -0.489 18229 12539 1 20 . 1 1 15 15 ILE N N 15 123.240 123.240 120.117 3.123 18229 12540 1 20 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.516 0.294 18229 12541 1 20 . 1 1 15 15 ILE C C 15 175.370 175.370 174.447 0.923 18229 12542 1 20 . 1 1 15 15 ILE CA C 15 59.320 59.320 59.158 0.162 18229 12543 1 20 . 1 1 15 15 ILE CB C 15 41.606 41.606 41.636 -0.030 18229 12544 1 20 . 1 1 15 15 ILE H H 15 8.298 8.298 8.300 -0.002 18229 12545 1 20 . 1 1 16 16 ILE N N 16 127.865 127.865 126.264 1.601 18229 12546 1 20 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.597 0.403 18229 12547 1 20 . 1 1 16 16 ILE C C 16 173.119 173.119 174.109 -0.990 18229 12548 1 20 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.696 0.059 18229 12549 1 20 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.836 1.032 18229 12550 1 20 . 1 1 16 16 ILE H H 16 9.428 9.428 9.056 0.372 18229 12551 1 20 . 1 1 17 17 ALA N N 17 127.742 127.742 129.874 -2.132 18229 12552 1 20 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.964 0.110 18229 12553 1 20 . 1 1 17 17 ALA C C 17 176.203 176.203 176.266 -0.063 18229 12554 1 20 . 1 1 17 17 ALA CA C 17 51.391 51.391 51.165 0.226 18229 12555 1 20 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.719 0.471 18229 12556 1 20 . 1 1 17 17 ALA H H 17 8.966 8.966 7.977 0.989 18229 12557 1 20 . 1 1 18 18 ILE N N 18 122.269 122.269 124.581 -2.312 18229 12558 1 20 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.279 0.342 18229 12559 1 20 . 1 1 18 18 ILE C C 18 174.306 174.306 175.658 -1.352 18229 12560 1 20 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.071 -0.571 18229 12561 1 20 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.233 -0.086 18229 12562 1 20 . 1 1 18 18 ILE H H 18 8.672 8.672 8.959 -0.287 18229 12563 1 20 . 1 1 19 19 ASN N N 19 127.575 127.575 124.783 2.792 18229 12564 1 20 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.772 0.290 18229 12565 1 20 . 1 1 19 19 ASN C C 19 174.730 174.730 174.750 -0.020 18229 12566 1 20 . 1 1 19 19 ASN CA C 19 51.729 51.729 51.859 -0.130 18229 12567 1 20 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.601 -0.105 18229 12568 1 20 . 1 1 19 19 ASN H H 19 9.350 9.350 8.870 0.480 18229 12569 1 20 . 1 1 20 20 GLU N N 20 121.547 121.547 123.920 -2.373 18229 12570 1 20 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.202 0.475 18229 12571 1 20 . 1 1 20 20 GLU C C 20 176.091 176.091 176.082 0.009 18229 12572 1 20 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.804 -2.002 18229 12573 1 20 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.664 1.008 18229 12574 1 20 . 1 1 20 20 GLU H H 20 9.037 9.037 8.325 0.712 18229 12575 1 20 . 1 1 21 21 ASP N N 21 121.086 121.086 117.377 3.709 18229 12576 1 20 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.580 0.049 18229 12577 1 20 . 1 1 21 21 ASP C C 21 175.651 175.651 175.972 -0.321 18229 12578 1 20 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.839 0.660 18229 12579 1 20 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.832 -0.282 18229 12580 1 20 . 1 1 21 21 ASP H H 21 8.706 8.706 8.263 0.443 18229 12581 1 20 . 1 1 22 22 VAL N N 22 113.108 113.108 117.151 -4.043 18229 12582 1 20 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.322 -0.006 18229 12583 1 20 . 1 1 22 22 VAL C C 22 173.407 173.407 174.452 -1.045 18229 12584 1 20 . 1 1 22 22 VAL CA C 22 59.153 59.153 59.589 -0.436 18229 12585 1 20 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.835 0.194 18229 12586 1 20 . 1 1 22 22 VAL H H 22 6.819 6.819 7.193 -0.374 18229 12587 1 20 . 1 1 23 23 SER N N 23 115.009 115.009 115.001 0.008 18229 12588 1 20 . 1 1 23 23 SER HA H 23 4.735 4.735 4.599 0.136 18229 12589 1 20 . 1 1 23 23 SER CA C 23 53.848 53.848 57.202 -3.354 18229 12590 1 20 . 1 1 23 23 SER CB C 23 64.810 64.810 63.249 1.561 18229 12591 1 20 . 1 1 23 23 SER H H 23 8.032 8.032 8.010 0.022 18229 12592 1 20 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.405 0.379 18229 12593 1 20 . 1 1 24 24 PRO C C 24 174.825 174.825 175.793 -0.968 18229 12594 1 20 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.253 0.595 18229 12595 1 20 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.337 2.464 18229 12596 1 20 . 1 1 25 25 ALA N N 25 120.477 120.477 122.597 -2.120 18229 12597 1 20 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.337 0.178 18229 12598 1 20 . 1 1 25 25 ALA C C 25 175.878 175.878 176.644 -0.766 18229 12599 1 20 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.097 0.511 18229 12600 1 20 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.124 0.330 18229 12601 1 20 . 1 1 25 25 ALA H H 25 8.013 8.013 8.213 -0.200 18229 12602 1 20 . 1 1 26 26 GLU N N 26 115.417 115.417 113.936 1.481 18229 12603 1 20 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.164 -0.093 18229 12604 1 20 . 1 1 26 26 GLU C C 26 174.599 174.599 174.956 -0.357 18229 12605 1 20 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.521 -1.534 18229 12606 1 20 . 1 1 26 26 GLU CB C 26 34.265 34.265 32.445 1.820 18229 12607 1 20 . 1 1 26 26 GLU H H 26 7.821 7.821 7.942 -0.121 18229 12608 1 20 . 1 1 27 27 LEU N N 27 124.622 124.622 121.643 2.979 18229 12609 1 20 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.334 -0.296 18229 12610 1 20 . 1 1 27 27 LEU C C 27 174.704 174.704 175.720 -1.016 18229 12611 1 20 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.316 0.441 18229 12612 1 20 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.418 1.228 18229 12613 1 20 . 1 1 27 27 LEU H H 27 8.863 8.863 9.034 -0.171 18229 12614 1 20 . 1 1 28 28 THR N N 28 121.755 121.755 119.918 1.837 18229 12615 1 20 . 1 1 28 28 THR HA H 28 5.152 5.152 5.089 0.063 18229 12616 1 20 . 1 1 28 28 THR C C 28 172.573 172.573 173.460 -0.887 18229 12617 1 20 . 1 1 28 28 THR CA C 28 61.452 61.452 61.863 -0.411 18229 12618 1 20 . 1 1 28 28 THR CB C 28 71.480 71.480 69.428 2.052 18229 12619 1 20 . 1 1 28 28 THR H H 28 9.276 9.276 9.074 0.202 18229 12620 1 20 . 1 1 29 29 TRP N N 29 128.764 128.764 131.554 -2.790 18229 12621 1 20 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.138 0.310 18229 12622 1 20 . 1 1 29 29 TRP C C 29 173.881 173.881 174.524 -0.643 18229 12623 1 20 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.060 -0.270 18229 12624 1 20 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.417 0.913 18229 12625 1 20 . 1 1 29 29 TRP H H 29 9.383 9.383 9.545 -0.162 18229 12626 1 20 . 1 1 30 30 ARG N N 30 126.417 126.417 128.355 -1.938 18229 12627 1 20 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.789 0.018 18229 12628 1 20 . 1 1 30 30 ARG C C 30 174.712 174.712 175.072 -0.360 18229 12629 1 20 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.293 0.175 18229 12630 1 20 . 1 1 30 30 ARG CB C 30 33.818 33.818 32.445 1.373 18229 12631 1 20 . 1 1 30 30 ARG H H 30 7.579 7.579 9.052 -1.473 18229 12632 1 20 . 1 1 31 31 SER N N 31 118.415 118.415 118.340 0.075 18229 12633 1 20 . 1 1 31 31 SER HA H 31 4.480 4.480 3.711 0.769 18229 12634 1 20 . 1 1 31 31 SER C C 31 176.360 176.360 175.316 1.044 18229 12635 1 20 . 1 1 31 31 SER CA C 31 58.070 58.070 58.731 -0.661 18229 12636 1 20 . 1 1 31 31 SER CB C 31 64.272 64.272 63.795 0.477 18229 12637 1 20 . 1 1 31 31 SER H H 31 8.078 8.078 8.602 -0.524 18229 12638 1 20 . 1 1 32 32 THR N N 32 119.175 119.175 119.465 -0.290 18229 12639 1 20 . 1 1 32 32 THR HA H 32 3.847 3.847 4.098 -0.251 18229 12640 1 20 . 1 1 32 32 THR C C 32 175.602 175.602 175.398 0.204 18229 12641 1 20 . 1 1 32 32 THR CA C 32 66.265 66.265 65.279 0.986 18229 12642 1 20 . 1 1 32 32 THR CB C 32 68.557 68.557 68.985 -0.428 18229 12643 1 20 . 1 1 32 32 THR H H 32 8.520 8.520 8.247 0.273 18229 12644 1 20 . 1 1 33 33 ASP N N 33 117.286 117.286 119.896 -2.610 18229 12645 1 20 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.634 -0.017 18229 12646 1 20 . 1 1 33 33 ASP C C 33 177.056 177.056 176.354 0.702 18229 12647 1 20 . 1 1 33 33 ASP CA C 33 54.225 54.225 53.555 0.670 18229 12648 1 20 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.270 -0.392 18229 12649 1 20 . 1 1 33 33 ASP H H 33 8.223 8.223 7.830 0.393 18229 12650 1 20 . 1 1 34 34 GLY N N 34 109.197 109.197 108.143 1.054 18229 12651 1 20 . 1 1 34 34 GLY C C 34 173.762 173.762 174.570 -0.808 18229 12652 1 20 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.302 0.097 18229 12653 1 20 . 1 1 34 34 GLY H H 34 7.914 7.914 7.692 0.222 18229 12654 1 20 . 1 1 35 35 ASP N N 35 118.081 118.081 118.934 -0.853 18229 12655 1 20 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.525 -0.006 18229 12656 1 20 . 1 1 35 35 ASP C C 35 175.366 175.366 176.446 -1.080 18229 12657 1 20 . 1 1 35 35 ASP CA C 35 54.860 54.860 54.752 0.108 18229 12658 1 20 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.268 -0.295 18229 12659 1 20 . 1 1 35 35 ASP H H 35 8.238 8.238 7.887 0.351 18229 12660 1 20 . 1 1 36 36 LYS N N 36 120.362 120.362 116.483 3.879 18229 12661 1 20 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.392 0.442 18229 12662 1 20 . 1 1 36 36 LYS C C 36 174.568 174.568 173.510 1.058 18229 12663 1 20 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.370 0.166 18229 12664 1 20 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.968 0.811 18229 12665 1 20 . 1 1 36 36 LYS H H 36 7.749 7.749 7.790 -0.041 18229 12666 1 20 . 1 1 37 37 VAL N N 37 121.758 121.758 119.684 2.074 18229 12667 1 20 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.104 0.167 18229 12668 1 20 . 1 1 37 37 VAL C C 37 175.209 175.209 174.119 1.090 18229 12669 1 20 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.803 -0.541 18229 12670 1 20 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.297 0.686 18229 12671 1 20 . 1 1 37 37 VAL H H 37 8.526 8.526 8.347 0.179 18229 12672 1 20 . 1 1 38 38 HIS N N 38 126.087 126.087 127.893 -1.806 18229 12673 1 20 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.949 0.072 18229 12674 1 20 . 1 1 38 38 HIS C C 38 173.116 173.116 174.431 -1.315 18229 12675 1 20 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.609 1.199 18229 12676 1 20 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.147 0.837 18229 12677 1 20 . 1 1 38 38 HIS H H 38 9.633 9.633 9.613 0.020 18229 12678 1 20 . 1 1 39 39 THR N N 39 124.455 124.455 121.139 3.316 18229 12679 1 20 . 1 1 39 39 THR HA H 39 5.155 5.155 5.105 0.050 18229 12680 1 20 . 1 1 39 39 THR C C 39 173.102 173.102 173.768 -0.666 18229 12681 1 20 . 1 1 39 39 THR CA C 39 61.637 61.637 61.570 0.067 18229 12682 1 20 . 1 1 39 39 THR CB C 39 70.716 70.716 69.635 1.081 18229 12683 1 20 . 1 1 39 39 THR H H 39 8.415 8.415 8.652 -0.237 18229 12684 1 20 . 1 1 40 40 VAL N N 40 126.066 126.066 125.084 0.982 18229 12685 1 20 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.192 -0.239 18229 12686 1 20 . 1 1 40 40 VAL C C 40 174.693 174.693 173.936 0.757 18229 12687 1 20 . 1 1 40 40 VAL CA C 40 60.348 60.348 59.885 0.463 18229 12688 1 20 . 1 1 40 40 VAL CB C 40 34.274 34.274 36.005 -1.731 18229 12689 1 20 . 1 1 40 40 VAL H H 40 9.387 9.387 9.293 0.095 18229 12690 1 20 . 1 1 41 41 VAL N N 41 129.775 129.775 128.562 1.213 18229 12691 1 20 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.474 -0.486 18229 12692 1 20 . 1 1 41 41 VAL C C 41 179.424 179.424 176.657 2.767 18229 12693 1 20 . 1 1 41 41 VAL CA C 41 63.744 63.744 61.077 2.667 18229 12694 1 20 . 1 1 41 41 VAL CB C 41 30.951 30.951 31.257 -0.306 18229 12695 1 20 . 1 1 41 41 VAL H H 41 9.021 9.021 8.682 0.339 18229 12696 1 20 . 1 1 42 42 LEU N N 42 129.645 129.645 128.189 1.456 18229 12697 1 20 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.091 -0.118 18229 12698 1 20 . 1 1 42 42 LEU C C 42 176.259 176.259 177.999 -1.740 18229 12699 1 20 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.444 1.199 18229 12700 1 20 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.433 -0.605 18229 12701 1 20 . 1 1 42 42 LEU H H 42 9.147 9.147 8.609 0.538 18229 12702 1 20 . 1 1 43 43 SER N N 43 110.158 110.158 112.062 -1.904 18229 12703 1 20 . 1 1 43 43 SER HA H 43 4.310 4.310 4.283 0.027 18229 12704 1 20 . 1 1 43 43 SER C C 43 175.263 175.263 175.968 -0.705 18229 12705 1 20 . 1 1 43 43 SER CA C 43 59.620 59.620 60.456 -0.837 18229 12706 1 20 . 1 1 43 43 SER CB C 43 61.543 61.543 63.612 -2.069 18229 12707 1 20 . 1 1 43 43 SER H H 43 7.006 7.006 8.153 -1.147 18229 12708 1 20 . 1 1 44 44 THR N N 44 110.206 110.206 113.676 -3.470 18229 12709 1 20 . 1 1 44 44 THR HA H 44 4.504 4.504 4.230 0.274 18229 12710 1 20 . 1 1 44 44 THR C C 44 173.489 173.489 175.782 -2.293 18229 12711 1 20 . 1 1 44 44 THR CA C 44 62.024 62.024 63.856 -1.832 18229 12712 1 20 . 1 1 44 44 THR CB C 44 69.805 69.805 69.034 0.771 18229 12713 1 20 . 1 1 44 44 THR H H 44 7.571 7.571 7.629 -0.058 18229 12714 1 20 . 1 1 45 45 ILE N N 45 120.322 120.322 122.972 -2.650 18229 12715 1 20 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.229 0.038 18229 12716 1 20 . 1 1 45 45 ILE C C 45 174.103 174.103 176.197 -2.094 18229 12717 1 20 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.385 -3.415 18229 12718 1 20 . 1 1 45 45 ILE CB C 45 36.560 36.560 36.074 0.486 18229 12719 1 20 . 1 1 45 45 ILE H H 45 6.975 6.975 7.938 -0.963 18229 12720 1 20 . 1 1 46 46 ASP N N 46 126.492 126.492 127.907 -1.415 18229 12721 1 20 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.415 0.296 18229 12722 1 20 . 1 1 46 46 ASP C C 46 175.431 175.431 175.502 -0.071 18229 12723 1 20 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.356 -1.523 18229 12724 1 20 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.762 2.773 18229 12725 1 20 . 1 1 46 46 ASP H H 46 9.262 9.262 8.825 0.437 18229 12726 1 20 . 1 1 47 47 LYS N N 47 112.726 112.726 112.961 -0.235 18229 12727 1 20 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.447 0.260 18229 12728 1 20 . 1 1 47 47 LYS C C 47 172.673 172.673 173.904 -1.231 18229 12729 1 20 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.576 -0.755 18229 12730 1 20 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.372 2.237 18229 12731 1 20 . 1 1 47 47 LYS H H 47 7.572 7.572 7.383 0.189 18229 12732 1 20 . 1 1 48 48 LEU N N 48 124.840 124.840 123.518 1.322 18229 12733 1 20 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.912 0.139 18229 12734 1 20 . 1 1 48 48 LEU C C 48 173.965 173.965 175.898 -1.933 18229 12735 1 20 . 1 1 48 48 LEU CA C 48 53.020 53.020 53.946 -0.926 18229 12736 1 20 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.046 2.518 18229 12737 1 20 . 1 1 48 48 LEU H H 48 9.013 9.013 8.453 0.560 18229 12738 1 20 . 1 1 49 49 GLN N N 49 121.648 121.648 125.601 -3.953 18229 12739 1 20 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.742 0.776 18229 12740 1 20 . 1 1 49 49 GLN C C 49 174.700 174.700 174.079 0.621 18229 12741 1 20 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.095 -0.496 18229 12742 1 20 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.480 1.546 18229 12743 1 20 . 1 1 49 49 GLN H H 49 9.260 9.260 9.298 -0.038 18229 12744 1 20 . 1 1 50 50 ALA N N 50 122.020 122.020 123.948 -1.928 18229 12745 1 20 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.175 0.572 18229 12746 1 20 . 1 1 50 50 ALA C C 50 177.167 177.167 176.081 1.086 18229 12747 1 20 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.200 -0.608 18229 12748 1 20 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.091 2.272 18229 12749 1 20 . 1 1 50 50 ALA H H 50 9.286 9.286 8.405 0.881 18229 12750 1 20 . 1 1 51 51 THR N N 51 114.222 114.222 115.835 -1.613 18229 12751 1 20 . 1 1 51 51 THR HA H 51 4.735 4.735 4.396 0.339 18229 12752 1 20 . 1 1 51 51 THR CA C 51 59.228 59.228 60.997 -1.769 18229 12753 1 20 . 1 1 51 51 THR CB C 51 67.954 67.954 68.736 -0.782 18229 12754 1 20 . 1 1 51 51 THR H H 51 8.340 8.340 8.738 -0.398 18229 12755 1 20 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.483 0.087 18229 12756 1 20 . 1 1 52 52 PRO C C 52 178.621 178.621 177.078 1.543 18229 12757 1 20 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.088 0.340 18229 12758 1 20 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.272 0.447 18229 12759 1 20 . 1 1 53 53 ALA N N 53 126.566 126.566 122.433 4.133 18229 12760 1 20 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.081 -0.026 18229 12761 1 20 . 1 1 53 53 ALA C C 53 177.578 177.578 179.139 -1.561 18229 12762 1 20 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.586 0.234 18229 12763 1 20 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.630 -0.773 18229 12764 1 20 . 1 1 53 53 ALA H H 53 9.109 9.109 8.431 0.678 18229 12765 1 20 . 1 1 54 54 SER N N 54 107.184 107.184 111.917 -4.733 18229 12766 1 20 . 1 1 54 54 SER HA H 54 4.235 4.235 4.372 -0.137 18229 12767 1 20 . 1 1 54 54 SER C C 54 174.838 174.838 174.468 0.370 18229 12768 1 20 . 1 1 54 54 SER CA C 54 58.116 58.116 58.996 -0.880 18229 12769 1 20 . 1 1 54 54 SER CB C 54 63.021 63.021 63.223 -0.202 18229 12770 1 20 . 1 1 54 54 SER H H 54 7.595 7.595 7.965 -0.370 18229 12771 1 20 . 1 1 55 55 SER N N 55 117.098 117.098 117.576 -0.478 18229 12772 1 20 . 1 1 55 55 SER HA H 55 4.484 4.484 4.418 0.066 18229 12773 1 20 . 1 1 55 55 SER C C 55 174.833 174.833 174.861 -0.028 18229 12774 1 20 . 1 1 55 55 SER CA C 55 57.510 57.510 58.922 -1.412 18229 12775 1 20 . 1 1 55 55 SER CB C 55 64.121 64.121 64.103 0.018 18229 12776 1 20 . 1 1 55 55 SER H H 55 7.613 7.613 7.775 -0.162 18229 12777 1 20 . 1 1 56 56 GLU N N 56 125.258 125.258 124.946 0.312 18229 12778 1 20 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.073 0.056 18229 12779 1 20 . 1 1 56 56 GLU C C 56 177.852 177.852 175.913 1.939 18229 12780 1 20 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.630 -1.018 18229 12781 1 20 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.932 -0.508 18229 12782 1 20 . 1 1 56 56 GLU H H 56 8.849 8.849 8.852 -0.003 18229 12783 1 20 . 1 1 57 57 LYS N N 57 119.058 119.058 114.545 4.513 18229 12784 1 20 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.780 -0.481 18229 12785 1 20 . 1 1 57 57 LYS C C 57 175.699 175.699 175.334 0.365 18229 12786 1 20 . 1 1 57 57 LYS CA C 57 55.645 55.645 54.033 1.612 18229 12787 1 20 . 1 1 57 57 LYS CB C 57 33.270 33.270 34.766 -1.496 18229 12788 1 20 . 1 1 57 57 LYS H H 57 8.060 8.060 7.361 0.699 18229 12789 1 20 . 1 1 58 58 MET N N 58 123.967 123.967 118.554 5.413 18229 12790 1 20 . 1 1 58 58 MET HA H 58 4.345 4.345 4.885 -0.540 18229 12791 1 20 . 1 1 58 58 MET C C 58 174.213 174.213 175.141 -0.928 18229 12792 1 20 . 1 1 58 58 MET CA C 58 55.170 55.170 55.070 0.100 18229 12793 1 20 . 1 1 58 58 MET CB C 58 35.330 35.330 35.692 -0.362 18229 12794 1 20 . 1 1 58 58 MET H H 58 8.828 8.828 8.624 0.204 18229 12795 1 20 . 1 1 59 59 MET N N 59 120.929 120.929 120.672 0.257 18229 12796 1 20 . 1 1 59 59 MET HA H 59 5.905 5.905 5.372 0.533 18229 12797 1 20 . 1 1 59 59 MET C C 59 174.521 174.521 173.949 0.572 18229 12798 1 20 . 1 1 59 59 MET CA C 59 55.038 55.038 55.482 -0.444 18229 12799 1 20 . 1 1 59 59 MET CB C 59 39.549 39.549 37.653 1.896 18229 12800 1 20 . 1 1 59 59 MET H H 59 8.528 8.528 9.467 -0.939 18229 12801 1 20 . 1 1 60 60 LEU N N 60 117.623 117.623 121.406 -3.783 18229 12802 1 20 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.126 0.539 18229 12803 1 20 . 1 1 60 60 LEU C C 60 175.763 175.763 175.148 0.615 18229 12804 1 20 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.762 -0.577 18229 12805 1 20 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.147 2.414 18229 12806 1 20 . 1 1 60 60 LEU H H 60 9.052 9.052 9.550 -0.498 18229 12807 1 20 . 1 1 61 61 ARG N N 61 120.407 120.407 121.685 -1.278 18229 12808 1 20 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.712 -0.241 18229 12809 1 20 . 1 1 61 61 ARG C C 61 173.286 173.286 174.022 -0.736 18229 12810 1 20 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.609 0.322 18229 12811 1 20 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.442 -0.107 18229 12812 1 20 . 1 1 61 61 ARG H H 61 9.180 9.180 9.507 -0.327 18229 12813 1 20 . 1 1 62 62 LEU N N 62 126.471 126.471 125.136 1.335 18229 12814 1 20 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.228 -0.030 18229 12815 1 20 . 1 1 62 62 LEU C C 62 175.447 175.447 175.914 -0.467 18229 12816 1 20 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.333 0.075 18229 12817 1 20 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.828 -1.395 18229 12818 1 20 . 1 1 62 62 LEU H H 62 9.203 9.203 9.378 -0.175 18229 12819 1 20 . 1 1 63 63 ILE N N 63 123.282 123.282 124.642 -1.360 18229 12820 1 20 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.256 0.441 18229 12821 1 20 . 1 1 63 63 ILE C C 63 176.525 176.525 176.396 0.129 18229 12822 1 20 . 1 1 63 63 ILE CA C 63 59.676 59.676 60.023 -0.347 18229 12823 1 20 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.438 0.267 18229 12824 1 20 . 1 1 63 63 ILE H H 63 8.983 8.983 9.015 -0.032 18229 12825 1 20 . 1 1 64 64 GLY N N 64 115.647 115.647 110.438 5.209 18229 12826 1 20 . 1 1 64 64 GLY C C 64 172.300 172.300 172.999 -0.699 18229 12827 1 20 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.959 1.703 18229 12828 1 20 . 1 1 64 64 GLY H H 64 9.372 9.372 8.368 1.004 18229 12829 1 20 . 1 1 65 65 LYS N N 65 119.107 119.107 126.333 -7.226 18229 12830 1 20 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.306 0.000 18229 12831 1 20 . 1 1 65 65 LYS C C 65 177.404 177.404 175.794 1.610 18229 12832 1 20 . 1 1 65 65 LYS CA C 65 56.501 56.501 57.017 -0.515 18229 12833 1 20 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.449 1.969 18229 12834 1 20 . 1 1 65 65 LYS H H 65 8.289 8.289 7.919 0.370 18229 12835 1 20 . 1 1 66 66 VAL N N 66 122.231 122.231 123.135 -0.904 18229 12836 1 20 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.223 -0.144 18229 12837 1 20 . 1 1 66 66 VAL C C 66 175.253 175.253 175.756 -0.503 18229 12838 1 20 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.568 0.568 18229 12839 1 20 . 1 1 66 66 VAL CB C 66 33.284 33.284 34.494 -1.210 18229 12840 1 20 . 1 1 66 66 VAL H H 66 8.607 8.607 8.220 0.387 18229 12841 1 20 . 1 1 67 67 ASP N N 67 125.538 125.538 126.151 -0.613 18229 12842 1 20 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.843 -0.144 18229 12843 1 20 . 1 1 67 67 ASP C C 67 176.601 176.601 176.230 0.371 18229 12844 1 20 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.821 -0.763 18229 12845 1 20 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.047 0.825 18229 12846 1 20 . 1 1 67 67 ASP H H 67 8.457 8.457 8.774 -0.317 18229 12847 1 20 . 1 1 68 68 GLU N N 68 124.433 124.433 119.410 5.023 18229 12848 1 20 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.148 -0.024 18229 12849 1 20 . 1 1 68 68 GLU C C 68 177.344 177.344 176.595 0.749 18229 12850 1 20 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.508 -0.874 18229 12851 1 20 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.556 0.124 18229 12852 1 20 . 1 1 68 68 GLU H H 68 8.712 8.712 8.114 0.598 18229 12853 1 20 . 1 1 69 69 SER N N 69 115.596 115.596 113.289 2.307 18229 12854 1 20 . 1 1 69 69 SER HA H 69 4.328 4.328 4.519 -0.191 18229 12855 1 20 . 1 1 69 69 SER C C 69 175.180 175.180 174.035 1.145 18229 12856 1 20 . 1 1 69 69 SER CA C 69 60.146 60.146 58.708 1.438 18229 12857 1 20 . 1 1 69 69 SER CB C 69 63.383 63.383 63.196 0.187 18229 12858 1 20 . 1 1 69 69 SER H H 69 8.467 8.467 7.926 0.541 18229 12859 1 20 . 1 1 70 70 LYS N N 70 121.738 121.738 121.798 -0.060 18229 12860 1 20 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.422 -0.016 18229 12861 1 20 . 1 1 70 70 LYS C C 70 176.165 176.165 176.558 -0.393 18229 12862 1 20 . 1 1 70 70 LYS CA C 70 55.410 55.410 55.947 -0.536 18229 12863 1 20 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.908 -1.408 18229 12864 1 20 . 1 1 70 70 LYS H H 70 7.675 7.675 7.674 0.001 18229 12865 1 20 . 1 1 71 71 LYS N N 71 121.087 121.087 118.780 2.307 18229 12866 1 20 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.017 0.391 18229 12867 1 20 . 1 1 71 71 LYS C C 71 176.134 176.134 175.200 0.934 18229 12868 1 20 . 1 1 71 71 LYS CA C 71 56.605 56.605 57.047 -0.442 18229 12869 1 20 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.720 1.563 18229 12870 1 20 . 1 1 71 71 LYS H H 71 7.739 7.739 8.178 -0.439 18229 12871 1 20 . 1 1 72 72 ARG N N 72 122.147 122.147 122.498 -0.351 18229 12872 1 20 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.607 -0.023 18229 12873 1 20 . 1 1 72 72 ARG C C 72 175.217 175.217 175.976 -0.759 18229 12874 1 20 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.559 0.482 18229 12875 1 20 . 1 1 72 72 ARG CB C 72 32.354 32.354 31.520 0.834 18229 12876 1 20 . 1 1 72 72 ARG H H 72 8.402 8.402 8.940 -0.538 18229 12877 1 20 . 1 1 73 73 LYS N N 73 121.242 121.242 125.211 -3.969 18229 12878 1 20 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.536 0.363 18229 12879 1 20 . 1 1 73 73 LYS C C 73 176.966 176.966 176.245 0.721 18229 12880 1 20 . 1 1 73 73 LYS CA C 73 55.365 55.365 56.027 -0.662 18229 12881 1 20 . 1 1 73 73 LYS CB C 73 34.631 34.631 33.378 1.253 18229 12882 1 20 . 1 1 73 73 LYS H H 73 8.386 8.386 8.641 -0.255 18229 12883 1 20 . 1 1 74 74 ASP N N 74 122.007 122.007 118.633 3.374 18229 12884 1 20 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.918 -0.267 18229 12885 1 20 . 1 1 74 74 ASP C C 74 177.401 177.401 177.058 0.343 18229 12886 1 20 . 1 1 74 74 ASP CA C 74 52.840 52.840 52.826 0.014 18229 12887 1 20 . 1 1 74 74 ASP CB C 74 41.008 41.008 42.898 -1.890 18229 12888 1 20 . 1 1 74 74 ASP H H 74 8.559 8.559 7.894 0.665 18229 12889 1 20 . 1 1 75 75 ASN N N 75 116.263 116.263 118.535 -2.272 18229 12890 1 20 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.595 -0.060 18229 12891 1 20 . 1 1 75 75 ASN C C 75 175.944 175.944 175.397 0.547 18229 12892 1 20 . 1 1 75 75 ASN CA C 75 54.877 54.877 55.110 -0.233 18229 12893 1 20 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.677 -0.567 18229 12894 1 20 . 1 1 75 75 ASN H H 75 8.414 8.414 8.676 -0.262 18229 12895 1 20 . 1 1 76 76 GLU N N 76 118.940 118.940 118.048 0.892 18229 12896 1 20 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.497 -0.104 18229 12897 1 20 . 1 1 76 76 GLU C C 76 176.512 176.512 176.295 0.217 18229 12898 1 20 . 1 1 76 76 GLU CA C 76 56.166 56.166 54.994 1.172 18229 12899 1 20 . 1 1 76 76 GLU CB C 76 30.010 30.010 28.206 1.804 18229 12900 1 20 . 1 1 76 76 GLU H H 76 8.133 8.133 7.834 0.299 18229 12901 1 20 . 1 1 77 77 GLY N N 77 108.056 108.056 108.549 -0.493 18229 12902 1 20 . 1 1 77 77 GLY C C 77 174.193 174.193 173.706 0.487 18229 12903 1 20 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.797 -0.511 18229 12904 1 20 . 1 1 77 77 GLY H H 77 8.083 8.083 7.699 0.384 18229 12905 1 20 . 1 1 78 78 ASN N N 78 119.896 119.896 118.428 1.468 18229 12906 1 20 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.735 0.007 18229 12907 1 20 . 1 1 78 78 ASN C C 78 175.006 175.006 174.533 0.473 18229 12908 1 20 . 1 1 78 78 ASN CA C 78 52.827 52.827 52.016 0.811 18229 12909 1 20 . 1 1 78 78 ASN CB C 78 38.996 38.996 38.485 0.511 18229 12910 1 20 . 1 1 78 78 ASN H H 78 8.537 8.537 8.330 0.207 18229 12911 1 20 . 1 1 79 79 GLU N N 79 121.648 121.648 123.359 -1.711 18229 12912 1 20 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.374 0.097 18229 12913 1 20 . 1 1 79 79 GLU C C 79 176.268 176.268 175.611 0.657 18229 12914 1 20 . 1 1 79 79 GLU CA C 79 56.610 56.610 56.261 0.349 18229 12915 1 20 . 1 1 79 79 GLU CB C 79 30.307 30.307 29.347 0.960 18229 12916 1 20 . 1 1 79 79 GLU H H 79 8.674 8.674 8.705 -0.031 18229 12917 1 20 . 1 1 80 80 VAL N N 80 124.083 124.083 127.061 -2.978 18229 12918 1 20 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.278 -0.030 18229 12919 1 20 . 1 1 80 80 VAL C C 80 175.537 175.537 174.464 1.073 18229 12920 1 20 . 1 1 80 80 VAL CA C 80 61.465 61.465 61.127 0.338 18229 12921 1 20 . 1 1 80 80 VAL CB C 80 33.553 33.553 33.557 -0.004 18229 12922 1 20 . 1 1 80 80 VAL H H 80 8.554 8.554 9.079 -0.525 18229 12923 1 20 . 1 1 81 81 VAL N N 81 126.640 126.640 129.261 -2.621 18229 12924 1 20 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.465 -0.038 18229 12925 1 20 . 1 1 81 81 VAL CA C 81 59.605 59.605 57.616 1.989 18229 12926 1 20 . 1 1 81 81 VAL CB C 81 32.876 32.876 32.479 0.397 18229 12927 1 20 . 1 1 81 81 VAL H H 81 8.390 8.390 8.619 -0.229 18229 12928 1 20 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.312 0.115 18229 12929 1 20 . 1 1 82 82 PRO C C 82 176.034 176.034 175.767 0.267 18229 12930 1 20 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.400 -0.690 18229 12931 1 20 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.356 -0.004 18229 12932 1 20 . 1 1 83 83 LYS N N 83 121.719 121.719 119.971 1.748 18229 12933 1 20 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.529 0.019 18229 12934 1 20 . 1 1 83 83 LYS CA C 83 53.856 53.856 53.957 -0.101 18229 12935 1 20 . 1 1 83 83 LYS CB C 83 32.330 32.330 33.163 -0.833 18229 12936 1 20 . 1 1 83 83 LYS H H 83 8.308 8.308 8.107 0.201 18229 12937 1 20 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.588 -0.292 18229 12938 1 20 . 1 1 84 84 PRO C C 84 176.773 176.773 175.904 0.869 18229 12939 1 20 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.655 -0.099 18229 12940 1 20 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.124 0.494 18229 12941 1 20 . 1 1 85 85 GLN N N 85 121.395 121.395 125.087 -3.692 18229 12942 1 20 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.280 -0.139 18229 12943 1 20 . 1 1 85 85 GLN C C 85 174.940 174.940 174.952 -0.012 18229 12944 1 20 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.500 0.562 18229 12945 1 20 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.341 0.389 18229 12946 1 20 . 1 1 85 85 GLN H H 85 8.464 8.464 8.549 -0.085 18229 12947 1 20 . 1 1 86 86 ARG N N 86 121.035 121.035 124.152 -3.117 18229 12948 1 20 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.751 0.376 18229 12949 1 20 . 1 1 86 86 ARG C C 86 175.052 175.052 175.692 -0.640 18229 12950 1 20 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.768 -0.234 18229 12951 1 20 . 1 1 86 86 ARG CB C 86 33.333 33.333 32.083 1.250 18229 12952 1 20 . 1 1 86 86 ARG H H 86 8.248 8.248 8.473 -0.225 18229 12953 1 20 . 1 1 87 87 HIS N N 87 120.780 120.780 123.377 -2.597 18229 12954 1 20 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.548 0.134 18229 12955 1 20 . 1 1 87 87 HIS C C 87 173.558 173.558 173.664 -0.106 18229 12956 1 20 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.846 -0.653 18229 12957 1 20 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.357 2.697 18229 12958 1 20 . 1 1 87 87 HIS H H 87 8.659 8.659 9.159 -0.500 18229 12959 1 20 . 1 1 88 88 MET N N 88 126.780 126.780 122.961 3.819 18229 12960 1 20 . 1 1 88 88 MET HA H 88 5.283 5.283 4.532 0.751 18229 12961 1 20 . 1 1 88 88 MET C C 88 173.297 173.297 173.635 -0.338 18229 12962 1 20 . 1 1 88 88 MET CA C 88 54.835 54.835 54.963 -0.128 18229 12963 1 20 . 1 1 88 88 MET CB C 88 35.794 35.794 35.225 0.569 18229 12964 1 20 . 1 1 88 88 MET H H 88 8.710 8.710 8.145 0.565 18229 12965 1 20 . 1 1 89 89 PHE N N 89 122.543 122.543 122.076 0.467 18229 12966 1 20 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.437 -0.242 18229 12967 1 20 . 1 1 89 89 PHE C C 89 174.410 174.410 174.692 -0.282 18229 12968 1 20 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.742 0.637 18229 12969 1 20 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.625 2.564 18229 12970 1 20 . 1 1 89 89 PHE H H 89 8.969 8.969 9.409 -0.440 18229 12971 1 20 . 1 1 90 90 SER N N 90 116.192 116.192 120.227 -4.035 18229 12972 1 20 . 1 1 90 90 SER HA H 90 5.696 5.696 4.801 0.895 18229 12973 1 20 . 1 1 90 90 SER C C 90 173.030 173.030 174.059 -1.029 18229 12974 1 20 . 1 1 90 90 SER CA C 90 56.771 56.771 58.563 -1.792 18229 12975 1 20 . 1 1 90 90 SER CB C 90 64.961 64.961 63.344 1.617 18229 12976 1 20 . 1 1 90 90 SER H H 90 8.657 8.657 8.564 0.093 18229 12977 1 20 . 1 1 91 91 PHE N N 91 120.710 120.710 125.837 -5.127 18229 12978 1 20 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.645 0.242 18229 12979 1 20 . 1 1 91 91 PHE C C 91 174.442 174.442 175.643 -1.201 18229 12980 1 20 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.204 -0.779 18229 12981 1 20 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.680 2.712 18229 12982 1 20 . 1 1 91 91 PHE H H 91 9.001 9.001 8.654 0.347 18229 12983 1 20 . 1 1 92 92 ASN N N 92 115.967 115.967 120.598 -4.631 18229 12984 1 20 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.797 0.310 18229 12985 1 20 . 1 1 92 92 ASN C C 92 174.835 174.835 173.613 1.222 18229 12986 1 20 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.910 -0.659 18229 12987 1 20 . 1 1 92 92 ASN CB C 92 39.889 39.889 39.012 0.877 18229 12988 1 20 . 1 1 92 92 ASN H H 92 9.093 9.093 8.852 0.241 18229 12989 1 20 . 1 1 93 93 ASN N N 93 118.401 118.401 116.709 1.692 18229 12990 1 20 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.783 0.139 18229 12991 1 20 . 1 1 93 93 ASN C C 93 174.524 174.524 174.457 0.067 18229 12992 1 20 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.279 -0.266 18229 12993 1 20 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.043 1.718 18229 12994 1 20 . 1 1 93 93 ASN H H 93 7.252 7.252 7.895 -0.643 18229 12995 1 20 . 1 1 94 94 ARG N N 94 129.175 129.175 124.476 4.699 18229 12996 1 20 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.055 -0.190 18229 12997 1 20 . 1 1 94 94 ARG C C 94 176.797 176.797 177.341 -0.544 18229 12998 1 20 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.233 0.250 18229 12999 1 20 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.014 0.115 18229 13000 1 20 . 1 1 94 94 ARG H H 94 9.309 9.309 8.975 0.334 18229 13001 1 20 . 1 1 95 95 THR N N 95 115.594 115.594 114.414 1.180 18229 13002 1 20 . 1 1 95 95 THR HA H 95 4.021 4.021 4.141 -0.120 18229 13003 1 20 . 1 1 95 95 THR C C 95 176.735 176.735 176.271 0.464 18229 13004 1 20 . 1 1 95 95 THR CA C 95 66.430 66.430 66.626 -0.197 18229 13005 1 20 . 1 1 95 95 THR CB C 95 68.357 68.357 68.481 -0.124 18229 13006 1 20 . 1 1 95 95 THR H H 95 7.973 7.973 8.183 -0.210 18229 13007 1 20 . 1 1 96 96 VAL N N 96 121.833 121.833 121.560 0.273 18229 13008 1 20 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.738 0.045 18229 13009 1 20 . 1 1 96 96 VAL C C 96 177.561 177.561 177.955 -0.394 18229 13010 1 20 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.350 -0.225 18229 13011 1 20 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.498 0.703 18229 13012 1 20 . 1 1 96 96 VAL H H 96 7.565 7.565 7.605 -0.040 18229 13013 1 20 . 1 1 97 97 MET N N 97 117.429 117.429 118.656 -1.227 18229 13014 1 20 . 1 1 97 97 MET HA H 97 4.551 4.551 3.260 1.291 18229 13015 1 20 . 1 1 97 97 MET C C 97 177.257 177.257 177.482 -0.225 18229 13016 1 20 . 1 1 97 97 MET CA C 97 59.753 59.753 58.136 1.617 18229 13017 1 20 . 1 1 97 97 MET CB C 97 32.515 32.515 31.543 0.972 18229 13018 1 20 . 1 1 97 97 MET H H 97 7.336 7.336 8.550 -1.214 18229 13019 1 20 . 1 1 98 98 ASP N N 98 118.159 118.159 120.155 -1.996 18229 13020 1 20 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.258 0.057 18229 13021 1 20 . 1 1 98 98 ASP C C 98 178.771 178.771 178.210 0.561 18229 13022 1 20 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.358 0.245 18229 13023 1 20 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.903 -1.239 18229 13024 1 20 . 1 1 98 98 ASP H H 98 8.712 8.712 8.189 0.523 18229 13025 1 20 . 1 1 99 99 ASN N N 99 120.354 120.354 118.409 1.945 18229 13026 1 20 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.579 -0.099 18229 13027 1 20 . 1 1 99 99 ASN C C 99 178.232 178.232 177.704 0.528 18229 13028 1 20 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.931 0.369 18229 13029 1 20 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.289 -0.841 18229 13030 1 20 . 1 1 99 99 ASN H H 99 8.084 8.084 7.543 0.541 18229 13031 1 20 . 1 1 100 100 ILE N N 100 120.990 120.990 121.261 -0.271 18229 13032 1 20 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.751 -0.114 18229 13033 1 20 . 1 1 100 100 ILE C C 100 177.463 177.463 178.220 -0.757 18229 13034 1 20 . 1 1 100 100 ILE CA C 100 62.773 62.773 65.136 -2.363 18229 13035 1 20 . 1 1 100 100 ILE CB C 100 35.467 35.467 36.866 -1.399 18229 13036 1 20 . 1 1 100 100 ILE H H 100 8.017 8.017 8.795 -0.778 18229 13037 1 20 . 1 1 101 101 LYS N N 101 120.814 120.814 119.581 1.233 18229 13038 1 20 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.767 -0.132 18229 13039 1 20 . 1 1 101 101 LYS C C 101 177.365 177.365 178.920 -1.555 18229 13040 1 20 . 1 1 101 101 LYS CA C 101 60.636 60.636 60.051 0.585 18229 13041 1 20 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.117 0.874 18229 13042 1 20 . 1 1 101 101 LYS H H 101 8.944 8.944 7.975 0.969 18229 13043 1 20 . 1 1 102 102 MET N N 102 116.514 116.514 116.503 0.011 18229 13044 1 20 . 1 1 102 102 MET HA H 102 4.209 4.209 4.535 -0.326 18229 13045 1 20 . 1 1 102 102 MET C C 102 178.925 178.925 178.201 0.724 18229 13046 1 20 . 1 1 102 102 MET CA C 102 58.720 58.720 58.758 -0.037 18229 13047 1 20 . 1 1 102 102 MET CB C 102 32.299 32.299 32.375 -0.076 18229 13048 1 20 . 1 1 102 102 MET H H 102 8.123 8.123 7.478 0.645 18229 13049 1 20 . 1 1 103 103 THR N N 103 118.583 118.583 118.484 0.099 18229 13050 1 20 . 1 1 103 103 THR HA H 103 3.882 3.882 3.992 -0.110 18229 13051 1 20 . 1 1 103 103 THR C C 103 176.474 176.474 176.938 -0.464 18229 13052 1 20 . 1 1 103 103 THR CA C 103 66.489 66.489 67.474 -0.985 18229 13053 1 20 . 1 1 103 103 THR CB C 103 67.864 67.864 68.622 -0.758 18229 13054 1 20 . 1 1 103 103 THR H H 103 7.768 7.768 8.471 -0.703 18229 13055 1 20 . 1 1 104 104 LEU N N 104 119.575 119.575 121.406 -1.831 18229 13056 1 20 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.907 -0.025 18229 13057 1 20 . 1 1 104 104 LEU C C 104 177.935 177.935 178.853 -0.918 18229 13058 1 20 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.659 -0.683 18229 13059 1 20 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.084 1.238 18229 13060 1 20 . 1 1 104 104 LEU H H 104 8.537 8.537 8.668 -0.131 18229 13061 1 20 . 1 1 105 105 GLN N N 105 119.463 119.463 116.978 2.485 18229 13062 1 20 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.808 -0.099 18229 13063 1 20 . 1 1 105 105 GLN C C 105 178.507 178.507 178.665 -0.158 18229 13064 1 20 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.693 1.047 18229 13065 1 20 . 1 1 105 105 GLN CB C 105 28.639 28.639 27.786 0.853 18229 13066 1 20 . 1 1 105 105 GLN H H 105 8.736 8.736 7.815 0.921 18229 13067 1 20 . 1 1 106 106 GLN N N 106 118.984 118.984 119.461 -0.477 18229 13068 1 20 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.029 -0.053 18229 13069 1 20 . 1 1 106 106 GLN C C 106 178.454 178.454 178.137 0.317 18229 13070 1 20 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.669 0.349 18229 13071 1 20 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.671 -0.219 18229 13072 1 20 . 1 1 106 106 GLN H H 106 7.689 7.689 8.265 -0.576 18229 13073 1 20 . 1 1 107 107 ILE N N 107 119.928 119.928 117.461 2.467 18229 13074 1 20 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.937 -0.474 18229 13075 1 20 . 1 1 107 107 ILE C C 107 177.492 177.492 178.022 -0.530 18229 13076 1 20 . 1 1 107 107 ILE CA C 107 65.442 65.442 64.051 1.391 18229 13077 1 20 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.688 0.807 18229 13078 1 20 . 1 1 107 107 ILE H H 107 7.910 7.910 7.493 0.417 18229 13079 1 20 . 1 1 108 108 ILE N N 108 117.958 117.958 121.613 -3.655 18229 13080 1 20 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.367 2.392 18229 13081 1 20 . 1 1 108 108 ILE C C 108 178.625 178.625 177.774 0.851 18229 13082 1 20 . 1 1 108 108 ILE CA C 108 65.579 65.579 65.074 0.505 18229 13083 1 20 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.449 1.803 18229 13084 1 20 . 1 1 108 108 ILE H H 108 8.767 8.767 8.561 0.206 18229 13085 1 20 . 1 1 109 109 SER N N 109 113.450 113.450 115.330 -1.880 18229 13086 1 20 . 1 1 109 109 SER HA H 109 4.271 4.271 3.961 0.310 18229 13087 1 20 . 1 1 109 109 SER C C 109 175.966 175.966 176.428 -0.462 18229 13088 1 20 . 1 1 109 109 SER CA C 109 62.205 62.205 61.365 0.840 18229 13089 1 20 . 1 1 109 109 SER CB C 109 63.094 63.094 62.623 0.471 18229 13090 1 20 . 1 1 109 109 SER H H 109 7.797 7.797 8.164 -0.367 18229 13091 1 20 . 1 1 110 110 ARG N N 110 120.739 120.739 120.798 -0.059 18229 13092 1 20 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.149 -0.030 18229 13093 1 20 . 1 1 110 110 ARG C C 110 179.056 179.056 179.196 -0.140 18229 13094 1 20 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.892 -0.072 18229 13095 1 20 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.225 -0.426 18229 13096 1 20 . 1 1 110 110 ARG H H 110 7.450 7.450 8.191 -0.741 18229 13097 1 20 . 1 1 111 111 TYR N N 111 117.972 117.972 119.225 -1.253 18229 13098 1 20 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.317 0.389 18229 13099 1 20 . 1 1 111 111 TYR C C 111 177.853 177.853 177.873 -0.020 18229 13100 1 20 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.129 0.484 18229 13101 1 20 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.404 -0.096 18229 13102 1 20 . 1 1 111 111 TYR H H 111 7.558 7.558 8.470 -0.912 18229 13103 1 20 . 1 1 112 112 LYS N N 112 120.615 120.615 118.569 2.046 18229 13104 1 20 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.172 0.209 18229 13105 1 20 . 1 1 112 112 LYS C C 112 177.893 177.893 177.880 0.013 18229 13106 1 20 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.599 -0.010 18229 13107 1 20 . 1 1 112 112 LYS CB C 112 32.603 32.603 31.997 0.606 18229 13108 1 20 . 1 1 112 112 LYS H H 112 8.080 8.080 7.522 0.558 18229 13109 1 20 . 1 1 113 113 ASP N N 113 120.325 120.325 120.014 0.311 18229 13110 1 20 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.482 0.162 18229 13111 1 20 . 1 1 113 113 ASP C C 113 176.950 176.950 177.241 -0.291 18229 13112 1 20 . 1 1 113 113 ASP CA C 113 55.263 55.263 55.983 -0.721 18229 13113 1 20 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.960 -0.069 18229 13114 1 20 . 1 1 113 113 ASP H H 113 8.191 8.191 8.280 -0.089 18229 13115 1 20 . 1 1 114 114 ALA N N 114 122.906 122.906 120.201 2.705 18229 13116 1 20 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.346 0.002 18229 13117 1 20 . 1 1 114 114 ALA C C 114 178.055 178.055 177.884 0.171 18229 13118 1 20 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.106 1.068 18229 13119 1 20 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.563 -0.463 18229 13120 1 20 . 1 1 114 114 ALA H H 114 7.900 7.900 7.627 0.273 18229 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 109 2.698 -0.134 2.707 18229 2 1 1 "Average Difference" HA 118 0.393 -0.118 0.377 18229 3 1 1 "Average Difference" C 109 0.919 0.014 0.923 18229 4 1 1 "Average Difference" CA 113 1.151 0.137 1.148 18229 5 1 1 "Average Difference" CB 108 1.230 -0.459 1.146 18229 6 1 1 "Average Difference" HN 109 0.509 -0.054 0.508 18229 7 1 2 "Average Difference" N 109 2.568 -0.159 2.575 18229 8 1 2 "Average Difference" HA 118 0.393 -0.101 0.382 18229 9 1 2 "Average Difference" C 109 0.898 0.107 0.896 18229 10 1 2 "Average Difference" CA 113 1.155 0.065 1.158 18229 11 1 2 "Average Difference" CB 108 1.251 -0.452 1.172 18229 12 1 2 "Average Difference" HN 109 0.486 -0.028 0.487 18229 13 1 3 "Average Difference" N 109 2.563 -0.066 2.574 18229 14 1 3 "Average Difference" HA 118 0.390 -0.113 0.375 18229 15 1 3 "Average Difference" C 109 0.949 0.038 0.952 18229 16 1 3 "Average Difference" CA 113 1.092 0.108 1.091 18229 17 1 3 "Average Difference" CB 108 1.233 -0.491 1.136 18229 18 1 3 "Average Difference" HN 109 0.506 0.009 0.508 18229 19 1 4 "Average Difference" N 109 2.785 -0.135 2.795 18229 20 1 4 "Average Difference" HA 118 0.383 -0.102 0.370 18229 21 1 4 "Average Difference" C 109 0.894 0.055 0.896 18229 22 1 4 "Average Difference" CA 113 1.141 0.102 1.142 18229 23 1 4 "Average Difference" CB 108 1.127 -0.376 1.067 18229 24 1 4 "Average Difference" HN 109 0.525 -0.055 0.525 18229 25 1 5 "Average Difference" N 109 2.704 -0.283 2.702 18229 26 1 5 "Average Difference" HA 118 0.409 -0.122 0.392 18229 27 1 5 "Average Difference" C 109 0.938 0.022 0.942 18229 28 1 5 "Average Difference" CA 113 1.117 0.075 1.119 18229 29 1 5 "Average Difference" CB 108 1.305 -0.575 1.177 18229 30 1 5 "Average Difference" HN 109 0.499 -0.028 0.500 18229 31 1 6 "Average Difference" N 109 2.736 -0.123 2.746 18229 32 1 6 "Average Difference" HA 118 0.392 -0.118 0.376 18229 33 1 6 "Average Difference" C 109 0.900 0.088 0.899 18229 34 1 6 "Average Difference" CA 113 1.125 0.112 1.124 18229 35 1 6 "Average Difference" CB 108 1.261 -0.412 1.197 18229 36 1 6 "Average Difference" HN 109 0.479 -0.042 0.479 18229 37 1 7 "Average Difference" N 109 2.657 -0.214 2.660 18229 38 1 7 "Average Difference" HA 118 0.376 -0.102 0.364 18229 39 1 7 "Average Difference" C 109 0.915 0.069 0.916 18229 40 1 7 "Average Difference" CA 113 1.116 0.094 1.117 18229 41 1 7 "Average Difference" CB 108 1.170 -0.369 1.115 18229 42 1 7 "Average Difference" HN 109 0.477 -0.010 0.479 18229 43 1 8 "Average Difference" N 109 2.756 -0.270 2.755 18229 44 1 8 "Average Difference" HA 118 0.401 -0.096 0.391 18229 45 1 8 "Average Difference" C 109 0.882 0.070 0.883 18229 46 1 8 "Average Difference" CA 113 1.142 0.078 1.145 18229 47 1 8 "Average Difference" CB 108 1.196 -0.401 1.132 18229 48 1 8 "Average Difference" HN 109 0.507 -0.047 0.507 18229 49 1 9 "Average Difference" N 109 2.821 -0.173 2.829 18229 50 1 9 "Average Difference" HA 118 0.396 -0.116 0.380 18229 51 1 9 "Average Difference" C 109 0.911 0.059 0.913 18229 52 1 9 "Average Difference" CA 113 1.169 0.137 1.166 18229 53 1 9 "Average Difference" CB 108 1.179 -0.446 1.096 18229 54 1 9 "Average Difference" HN 109 0.490 -0.004 0.493 18229 55 1 10 "Average Difference" N 109 2.708 0.029 2.720 18229 56 1 10 "Average Difference" HA 118 0.390 -0.112 0.375 18229 57 1 10 "Average Difference" C 109 0.942 0.079 0.943 18229 58 1 10 "Average Difference" CA 113 1.082 0.125 1.080 18229 59 1 10 "Average Difference" CB 108 1.264 -0.517 1.159 18229 60 1 10 "Average Difference" HN 109 0.461 -0.011 0.463 18229 61 1 11 "Average Difference" N 109 2.729 -0.113 2.739 18229 62 1 11 "Average Difference" HA 118 0.391 -0.115 0.375 18229 63 1 11 "Average Difference" C 109 0.913 0.040 0.916 18229 64 1 11 "Average Difference" CA 113 1.151 0.105 1.151 18229 65 1 11 "Average Difference" CB 108 1.256 -0.470 1.170 18229 66 1 11 "Average Difference" HN 109 0.504 -0.040 0.504 18229 67 1 12 "Average Difference" N 109 2.730 -0.127 2.740 18229 68 1 12 "Average Difference" HA 118 0.393 -0.119 0.376 18229 69 1 12 "Average Difference" C 109 0.852 0.058 0.854 18229 70 1 12 "Average Difference" CA 113 1.131 0.124 1.130 18229 71 1 12 "Average Difference" CB 108 1.252 -0.430 1.182 18229 72 1 12 "Average Difference" HN 109 0.516 -0.031 0.517 18229 73 1 13 "Average Difference" N 109 2.525 -0.209 2.528 18229 74 1 13 "Average Difference" HA 118 0.397 -0.120 0.380 18229 75 1 13 "Average Difference" C 109 0.917 0.079 0.918 18229 76 1 13 "Average Difference" CA 113 1.083 0.127 1.080 18229 77 1 13 "Average Difference" CB 108 1.157 -0.398 1.091 18229 78 1 13 "Average Difference" HN 109 0.498 -0.012 0.500 18229 79 1 14 "Average Difference" N 109 2.759 0.244 2.761 18229 80 1 14 "Average Difference" HA 118 0.385 -0.108 0.372 18229 81 1 14 "Average Difference" C 109 0.894 -0.008 0.898 18229 82 1 14 "Average Difference" CA 113 1.059 0.019 1.063 18229 83 1 14 "Average Difference" CB 108 1.261 -0.451 1.183 18229 84 1 14 "Average Difference" HN 109 0.511 0.009 0.513 18229 85 1 15 "Average Difference" N 109 2.580 -0.108 2.590 18229 86 1 15 "Average Difference" HA 118 0.389 -0.114 0.374 18229 87 1 15 "Average Difference" C 109 0.875 0.085 0.875 18229 88 1 15 "Average Difference" CA 113 1.057 0.062 1.060 18229 89 1 15 "Average Difference" CB 108 1.224 -0.412 1.158 18229 90 1 15 "Average Difference" HN 109 0.474 -0.036 0.475 18229 91 1 16 "Average Difference" N 109 2.575 0.100 2.585 18229 92 1 16 "Average Difference" HA 118 0.402 -0.113 0.388 18229 93 1 16 "Average Difference" C 109 0.933 0.071 0.934 18229 94 1 16 "Average Difference" CA 113 1.146 0.079 1.149 18229 95 1 16 "Average Difference" CB 108 1.269 -0.488 1.177 18229 96 1 16 "Average Difference" HN 109 0.523 -0.029 0.524 18229 97 1 17 "Average Difference" N 109 2.597 -0.133 2.606 18229 98 1 17 "Average Difference" HA 118 0.400 -0.105 0.388 18229 99 1 17 "Average Difference" C 109 0.912 0.043 0.915 18229 100 1 17 "Average Difference" CA 113 1.143 0.088 1.144 18229 101 1 17 "Average Difference" CB 108 1.155 -0.443 1.071 18229 102 1 17 "Average Difference" HN 109 0.494 -0.022 0.496 18229 103 1 18 "Average Difference" N 109 2.753 0.024 2.766 18229 104 1 18 "Average Difference" HA 118 0.404 -0.114 0.389 18229 105 1 18 "Average Difference" C 109 0.918 0.112 0.915 18229 106 1 18 "Average Difference" CA 113 1.130 0.125 1.128 18229 107 1 18 "Average Difference" CB 108 1.268 -0.476 1.181 18229 108 1 18 "Average Difference" HN 109 0.479 -0.033 0.480 18229 109 1 19 "Average Difference" N 109 2.780 -0.227 2.783 18229 110 1 19 "Average Difference" HA 118 0.387 -0.112 0.372 18229 111 1 19 "Average Difference" C 109 0.944 0.091 0.943 18229 112 1 19 "Average Difference" CA 113 1.066 0.108 1.065 18229 113 1 19 "Average Difference" CB 108 1.217 -0.454 1.134 18229 114 1 19 "Average Difference" HN 109 0.474 -0.049 0.474 18229 115 1 20 "Average Difference" N 109 2.637 0.074 2.648 18229 116 1 20 "Average Difference" HA 118 0.394 -0.099 0.383 18229 117 1 20 "Average Difference" C 109 0.887 0.060 0.889 18229 118 1 20 "Average Difference" CA 113 1.031 0.037 1.035 18229 119 1 20 "Average Difference" CB 108 1.194 -0.410 1.126 18229 120 1 20 "Average Difference" HN 109 0.502 -0.023 0.504 18229 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 18229 _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 N N 2 113.055 113.055 115.185 -2.130 18229 2 1 . 1 1 2 2 SER HA H 2 4.418 4.418 4.382 0.036 18229 3 1 . 1 1 2 2 SER C C 2 174.994 174.994 174.869 0.125 18229 4 1 . 1 1 2 2 SER CA C 2 58.540 58.540 59.261 -0.721 18229 5 1 . 1 1 2 2 SER CB C 2 63.748 63.748 63.624 0.124 18229 6 1 . 1 1 2 2 SER H H 2 8.061 8.061 8.274 -0.213 18229 7 1 . 1 1 3 3 HIS N N 3 119.062 119.062 118.260 0.802 18229 8 1 . 1 1 3 3 HIS HA H 3 4.735 4.735 4.560 0.175 18229 9 1 . 1 1 3 3 HIS C C 3 173.417 173.417 173.901 -0.484 18229 10 1 . 1 1 3 3 HIS CA C 3 55.304 55.304 56.045 -0.741 18229 11 1 . 1 1 3 3 HIS CB C 3 29.547 29.547 29.658 -0.111 18229 12 1 . 1 1 3 3 HIS H H 3 8.410 8.410 8.282 0.128 18229 13 1 . 1 1 4 4 SER N N 4 113.520 113.520 112.544 0.976 18229 14 1 . 1 1 4 4 SER HA H 4 5.516 5.516 5.002 0.514 18229 15 1 . 1 1 4 4 SER C C 4 173.602 173.602 172.894 0.708 18229 16 1 . 1 1 4 4 SER CA C 4 57.005 57.005 57.381 -0.376 18229 17 1 . 1 1 4 4 SER CB C 4 65.989 65.989 66.693 -0.704 18229 18 1 . 1 1 4 4 SER H H 4 7.817 7.817 7.519 0.298 18229 19 1 . 1 1 5 5 GLY N N 5 106.959 106.959 106.157 0.802 18229 20 1 . 1 1 5 5 GLY C C 5 171.058 171.058 172.013 -0.955 18229 21 1 . 1 1 5 5 GLY CA C 5 45.471 45.471 45.714 -0.243 18229 22 1 . 1 1 5 5 GLY H H 5 8.356 8.356 8.795 -0.439 18229 23 1 . 1 1 6 6 ALA N N 6 125.264 125.264 123.824 1.440 18229 24 1 . 1 1 6 6 ALA HA H 6 4.961 4.961 4.576 0.385 18229 25 1 . 1 1 6 6 ALA C C 6 176.831 176.831 175.716 1.115 18229 26 1 . 1 1 6 6 ALA CA C 6 52.745 52.745 51.653 1.092 18229 27 1 . 1 1 6 6 ALA CB C 6 19.380 19.380 20.242 -0.862 18229 28 1 . 1 1 6 6 ALA H H 6 8.641 8.641 8.498 0.143 18229 29 1 . 1 1 7 7 ALA N N 7 119.937 119.937 122.782 -2.845 18229 30 1 . 1 1 7 7 ALA HA H 7 4.655 4.655 4.449 0.206 18229 31 1 . 1 1 7 7 ALA C C 7 176.683 176.683 175.538 1.145 18229 32 1 . 1 1 7 7 ALA CA C 7 51.745 51.745 50.510 1.235 18229 33 1 . 1 1 7 7 ALA CB C 7 24.037 24.037 22.150 1.887 18229 34 1 . 1 1 7 7 ALA H H 7 8.370 8.370 8.064 0.306 18229 35 1 . 1 1 8 8 ILE N N 8 125.430 125.430 119.549 5.881 18229 36 1 . 1 1 8 8 ILE HA H 8 4.995 4.995 5.235 -0.240 18229 37 1 . 1 1 8 8 ILE C C 8 175.310 175.310 174.936 0.374 18229 38 1 . 1 1 8 8 ILE CA C 8 59.952 59.952 58.341 1.611 18229 39 1 . 1 1 8 8 ILE CB C 8 39.687 39.687 38.227 1.460 18229 40 1 . 1 1 8 8 ILE H H 8 9.349 9.349 8.390 0.959 18229 41 1 . 1 1 9 9 PHE N N 9 128.906 128.906 127.937 0.969 18229 42 1 . 1 1 9 9 PHE HA H 9 4.292 4.292 4.473 -0.181 18229 43 1 . 1 1 9 9 PHE C C 9 173.925 173.925 174.636 -0.711 18229 44 1 . 1 1 9 9 PHE CA C 9 56.271 56.271 55.137 1.134 18229 45 1 . 1 1 9 9 PHE CB C 9 39.567 39.567 39.875 -0.308 18229 46 1 . 1 1 9 9 PHE H H 9 8.450 8.450 8.741 -0.291 18229 47 1 . 1 1 10 10 GLU N N 10 126.509 126.509 127.519 -1.010 18229 48 1 . 1 1 10 10 GLU HA H 10 3.204 3.204 3.759 -0.555 18229 49 1 . 1 1 10 10 GLU C C 10 175.157 175.157 175.597 -0.440 18229 50 1 . 1 1 10 10 GLU CA C 10 56.779 56.779 57.060 -0.281 18229 51 1 . 1 1 10 10 GLU CB C 10 26.449 26.449 27.905 -1.456 18229 52 1 . 1 1 10 10 GLU H H 10 8.749 8.749 8.832 -0.083 18229 53 1 . 1 1 11 11 LYS N N 11 105.729 105.729 112.071 -6.342 18229 54 1 . 1 1 11 11 LYS HA H 11 3.403 3.403 3.922 -0.519 18229 55 1 . 1 1 11 11 LYS C C 11 175.543 175.543 175.415 0.128 18229 56 1 . 1 1 11 11 LYS CA C 11 58.554 58.554 57.798 0.756 18229 57 1 . 1 1 11 11 LYS CB C 11 30.177 30.177 31.718 -1.541 18229 58 1 . 1 1 11 11 LYS H H 11 7.931 7.931 8.437 -0.506 18229 59 1 . 1 1 12 12 VAL N N 12 123.753 123.753 120.668 3.085 18229 60 1 . 1 1 12 12 VAL HA H 12 4.417 4.417 4.297 0.120 18229 61 1 . 1 1 12 12 VAL C C 12 175.120 175.120 175.271 -0.151 18229 62 1 . 1 1 12 12 VAL CA C 12 61.772 61.772 61.315 0.457 18229 63 1 . 1 1 12 12 VAL CB C 12 34.281 34.281 34.426 -0.145 18229 64 1 . 1 1 12 12 VAL H H 12 7.901 7.901 7.297 0.604 18229 65 1 . 1 1 13 13 SER N N 13 121.941 121.941 120.044 1.898 18229 66 1 . 1 1 13 13 SER HA H 13 4.627 4.627 5.054 -0.427 18229 67 1 . 1 1 13 13 SER C C 13 175.339 175.339 174.079 1.260 18229 68 1 . 1 1 13 13 SER CA C 13 59.813 59.813 57.851 1.962 18229 69 1 . 1 1 13 13 SER CB C 13 63.763 63.763 64.193 -0.430 18229 70 1 . 1 1 13 13 SER H H 13 8.876 8.876 8.701 0.175 18229 71 1 . 1 1 14 14 GLY N N 14 113.199 113.199 113.345 -0.146 18229 72 1 . 1 1 14 14 GLY C C 14 172.742 172.742 172.552 0.190 18229 73 1 . 1 1 14 14 GLY CA C 14 46.520 46.520 44.341 2.179 18229 74 1 . 1 1 14 14 GLY H H 14 8.277 8.277 8.866 -0.589 18229 75 1 . 1 1 15 15 ILE N N 15 123.240 123.240 119.982 3.258 18229 76 1 . 1 1 15 15 ILE HA H 15 4.810 4.810 4.469 0.341 18229 77 1 . 1 1 15 15 ILE C C 15 175.370 175.370 173.969 1.401 18229 78 1 . 1 1 15 15 ILE CA C 15 59.320 59.320 58.849 0.471 18229 79 1 . 1 1 15 15 ILE CB C 15 41.606 41.606 40.673 0.933 18229 80 1 . 1 1 15 15 ILE H H 15 8.298 8.298 8.418 -0.120 18229 81 1 . 1 1 16 16 ILE N N 16 127.865 127.865 126.919 0.946 18229 82 1 . 1 1 16 16 ILE HA H 16 5.000 5.000 4.550 0.450 18229 83 1 . 1 1 16 16 ILE C C 16 173.119 173.119 174.106 -0.987 18229 84 1 . 1 1 16 16 ILE CA C 16 59.755 59.755 59.769 -0.014 18229 85 1 . 1 1 16 16 ILE CB C 16 41.868 41.868 40.476 1.392 18229 86 1 . 1 1 16 16 ILE H H 16 9.428 9.428 9.028 0.400 18229 87 1 . 1 1 17 17 ALA N N 17 127.742 127.742 130.431 -2.689 18229 88 1 . 1 1 17 17 ALA HA H 17 5.074 5.074 4.913 0.161 18229 89 1 . 1 1 17 17 ALA C C 17 176.203 176.203 176.119 0.084 18229 90 1 . 1 1 17 17 ALA CA C 17 51.391 51.391 50.839 0.552 18229 91 1 . 1 1 17 17 ALA CB C 17 22.190 22.190 21.490 0.700 18229 92 1 . 1 1 17 17 ALA H H 17 8.966 8.966 8.235 0.731 18229 93 1 . 1 1 18 18 ILE N N 18 122.269 122.269 124.356 -2.087 18229 94 1 . 1 1 18 18 ILE HA H 18 4.621 4.621 4.217 0.404 18229 95 1 . 1 1 18 18 ILE C C 18 174.306 174.306 175.639 -1.333 18229 96 1 . 1 1 18 18 ILE CA C 18 60.500 60.500 61.254 -0.753 18229 97 1 . 1 1 18 18 ILE CB C 18 39.147 39.147 39.164 -0.017 18229 98 1 . 1 1 18 18 ILE H H 18 8.672 8.672 8.458 0.214 18229 99 1 . 1 1 19 19 ASN N N 19 127.575 127.575 124.909 2.666 18229 100 1 . 1 1 19 19 ASN HA H 19 5.062 5.062 4.817 0.245 18229 101 1 . 1 1 19 19 ASN C C 19 174.730 174.730 174.766 -0.036 18229 102 1 . 1 1 19 19 ASN CA C 19 51.729 51.729 52.340 -0.611 18229 103 1 . 1 1 19 19 ASN CB C 19 39.496 39.496 39.888 -0.392 18229 104 1 . 1 1 19 19 ASN H H 19 9.350 9.350 8.915 0.435 18229 105 1 . 1 1 20 20 GLU N N 20 121.547 121.547 123.463 -1.916 18229 106 1 . 1 1 20 20 GLU HA H 20 4.677 4.677 4.160 0.517 18229 107 1 . 1 1 20 20 GLU C C 20 176.091 176.091 175.993 0.098 18229 108 1 . 1 1 20 20 GLU CA C 20 55.802 55.802 57.674 -1.872 18229 109 1 . 1 1 20 20 GLU CB C 20 30.672 30.672 29.763 0.909 18229 110 1 . 1 1 20 20 GLU H H 20 9.037 9.037 8.299 0.738 18229 111 1 . 1 1 21 21 ASP N N 21 121.086 121.086 117.501 3.585 18229 112 1 . 1 1 21 21 ASP HA H 21 4.629 4.629 4.580 0.049 18229 113 1 . 1 1 21 21 ASP C C 21 175.651 175.651 176.186 -0.535 18229 114 1 . 1 1 21 21 ASP CA C 21 55.499 55.499 54.664 0.835 18229 115 1 . 1 1 21 21 ASP CB C 21 40.550 40.550 40.713 -0.163 18229 116 1 . 1 1 21 21 ASP H H 21 8.706 8.706 8.242 0.464 18229 117 1 . 1 1 22 22 VAL N N 22 113.108 113.108 117.248 -4.140 18229 118 1 . 1 1 22 22 VAL HA H 22 4.316 4.316 4.345 -0.029 18229 119 1 . 1 1 22 22 VAL C C 22 173.407 173.407 174.940 -1.533 18229 120 1 . 1 1 22 22 VAL CA C 22 59.153 59.153 60.031 -0.877 18229 121 1 . 1 1 22 22 VAL CB C 22 34.029 34.029 33.403 0.627 18229 122 1 . 1 1 22 22 VAL H H 22 6.819 6.819 7.284 -0.465 18229 123 1 . 1 1 23 23 SER N N 23 115.009 115.009 113.992 1.017 18229 124 1 . 1 1 23 23 SER HA H 23 4.735 4.735 4.607 0.128 18229 125 1 . 1 1 23 23 SER CA C 23 53.848 53.848 57.243 -3.395 18229 126 1 . 1 1 23 23 SER CB C 23 64.810 64.810 63.489 1.321 18229 127 1 . 1 1 23 23 SER H H 23 8.032 8.032 8.142 -0.110 18229 128 1 . 1 1 24 24 PRO HA H 24 4.784 4.784 4.404 0.380 18229 129 1 . 1 1 24 24 PRO C C 24 174.825 174.825 175.917 -1.092 18229 130 1 . 1 1 24 24 PRO CA C 24 62.848 62.848 62.335 0.513 18229 131 1 . 1 1 24 24 PRO CB C 24 34.801 34.801 32.217 2.584 18229 132 1 . 1 1 25 25 ALA N N 25 120.477 120.477 121.993 -1.516 18229 133 1 . 1 1 25 25 ALA HA H 25 4.515 4.515 4.305 0.210 18229 134 1 . 1 1 25 25 ALA C C 25 175.878 175.878 176.728 -0.850 18229 135 1 . 1 1 25 25 ALA CA C 25 52.608 52.608 52.306 0.302 18229 136 1 . 1 1 25 25 ALA CB C 25 20.454 20.454 20.132 0.322 18229 137 1 . 1 1 25 25 ALA H H 25 8.013 8.013 8.230 -0.217 18229 138 1 . 1 1 26 26 GLU N N 26 115.417 115.417 114.681 0.736 18229 139 1 . 1 1 26 26 GLU HA H 26 5.071 5.071 5.160 -0.089 18229 140 1 . 1 1 26 26 GLU C C 26 174.599 174.599 174.757 -0.158 18229 141 1 . 1 1 26 26 GLU CA C 26 53.987 53.987 55.432 -1.445 18229 142 1 . 1 1 26 26 GLU CB C 26 34.265 34.265 33.386 0.879 18229 143 1 . 1 1 26 26 GLU H H 26 7.821 7.821 7.988 -0.167 18229 144 1 . 1 1 27 27 LEU N N 27 124.622 124.622 122.300 2.322 18229 145 1 . 1 1 27 27 LEU HA H 27 5.038 5.038 5.164 -0.126 18229 146 1 . 1 1 27 27 LEU C C 27 174.704 174.704 175.487 -0.783 18229 147 1 . 1 1 27 27 LEU CA C 27 53.757 53.757 53.400 0.357 18229 148 1 . 1 1 27 27 LEU CB C 27 45.646 45.646 44.739 0.907 18229 149 1 . 1 1 27 27 LEU H H 27 8.863 8.863 9.084 -0.221 18229 150 1 . 1 1 28 28 THR N N 28 121.755 121.755 120.119 1.636 18229 151 1 . 1 1 28 28 THR HA H 28 5.152 5.152 4.977 0.175 18229 152 1 . 1 1 28 28 THR C C 28 172.573 172.573 173.293 -0.720 18229 153 1 . 1 1 28 28 THR CA C 28 61.452 61.452 62.349 -0.897 18229 154 1 . 1 1 28 28 THR CB C 28 71.480 71.480 69.753 1.727 18229 155 1 . 1 1 28 28 THR H H 28 9.276 9.276 8.791 0.485 18229 156 1 . 1 1 29 29 TRP N N 29 128.764 128.764 131.038 -2.274 18229 157 1 . 1 1 29 29 TRP HA H 29 5.448 5.448 5.052 0.396 18229 158 1 . 1 1 29 29 TRP C C 29 173.881 173.881 174.330 -0.449 18229 159 1 . 1 1 29 29 TRP CA C 29 55.790 55.790 56.232 -0.442 18229 160 1 . 1 1 29 29 TRP CB C 29 32.330 32.330 31.084 1.246 18229 161 1 . 1 1 29 29 TRP H H 29 9.383 9.383 9.564 -0.181 18229 162 1 . 1 1 30 30 ARG N N 30 126.417 126.417 129.559 -3.142 18229 163 1 . 1 1 30 30 ARG HA H 30 4.807 4.807 4.630 0.177 18229 164 1 . 1 1 30 30 ARG C C 30 174.712 174.712 175.306 -0.594 18229 165 1 . 1 1 30 30 ARG CA C 30 53.468 53.468 53.689 -0.221 18229 166 1 . 1 1 30 30 ARG CB C 30 33.818 33.818 33.534 0.284 18229 167 1 . 1 1 30 30 ARG H H 30 7.579 7.579 9.118 -1.539 18229 168 1 . 1 1 31 31 SER N N 31 118.415 118.415 120.855 -2.440 18229 169 1 . 1 1 31 31 SER HA H 31 4.480 4.480 3.704 0.776 18229 170 1 . 1 1 31 31 SER C C 31 176.360 176.360 175.187 1.173 18229 171 1 . 1 1 31 31 SER CA C 31 58.070 58.070 59.907 -1.837 18229 172 1 . 1 1 31 31 SER CB C 31 64.272 64.272 63.694 0.578 18229 173 1 . 1 1 31 31 SER H H 31 8.078 8.078 8.669 -0.591 18229 174 1 . 1 1 32 32 THR N N 32 119.175 119.175 118.686 0.489 18229 175 1 . 1 1 32 32 THR HA H 32 3.847 3.847 4.114 -0.267 18229 176 1 . 1 1 32 32 THR C C 32 175.602 175.602 175.428 0.174 18229 177 1 . 1 1 32 32 THR CA C 32 66.265 66.265 65.481 0.784 18229 178 1 . 1 1 32 32 THR CB C 32 68.557 68.557 68.988 -0.431 18229 179 1 . 1 1 32 32 THR H H 32 8.520 8.520 8.393 0.127 18229 180 1 . 1 1 33 33 ASP N N 33 117.286 117.286 119.794 -2.508 18229 181 1 . 1 1 33 33 ASP HA H 33 4.617 4.617 4.630 -0.013 18229 182 1 . 1 1 33 33 ASP C C 33 177.056 177.056 176.563 0.493 18229 183 1 . 1 1 33 33 ASP CA C 33 54.225 54.225 54.376 -0.151 18229 184 1 . 1 1 33 33 ASP CB C 33 40.878 40.878 41.126 -0.248 18229 185 1 . 1 1 33 33 ASP H H 33 8.223 8.223 8.113 0.110 18229 186 1 . 1 1 34 34 GLY N N 34 109.197 109.197 107.444 1.753 18229 187 1 . 1 1 34 34 GLY C C 34 173.762 173.762 174.459 -0.697 18229 188 1 . 1 1 34 34 GLY CA C 34 45.399 45.399 45.205 0.194 18229 189 1 . 1 1 34 34 GLY H H 34 7.914 7.914 7.889 0.025 18229 190 1 . 1 1 35 35 ASP N N 35 118.081 118.081 119.249 -1.168 18229 191 1 . 1 1 35 35 ASP HA H 35 4.519 4.519 4.610 -0.091 18229 192 1 . 1 1 35 35 ASP C C 35 175.366 175.366 176.245 -0.879 18229 193 1 . 1 1 35 35 ASP CA C 35 54.860 54.860 55.195 -0.335 18229 194 1 . 1 1 35 35 ASP CB C 35 40.973 40.973 41.313 -0.340 18229 195 1 . 1 1 35 35 ASP H H 35 8.238 8.238 8.341 -0.103 18229 196 1 . 1 1 36 36 LYS N N 36 120.362 120.362 115.746 4.616 18229 197 1 . 1 1 36 36 LYS HA H 36 4.834 4.834 4.421 0.413 18229 198 1 . 1 1 36 36 LYS C C 36 174.568 174.568 173.591 0.977 18229 199 1 . 1 1 36 36 LYS CA C 36 55.536 55.536 55.480 0.056 18229 200 1 . 1 1 36 36 LYS CB C 36 35.779 35.779 34.980 0.799 18229 201 1 . 1 1 36 36 LYS H H 36 7.749 7.749 7.703 0.046 18229 202 1 . 1 1 37 37 VAL N N 37 121.758 121.758 119.720 2.038 18229 203 1 . 1 1 37 37 VAL HA H 37 5.271 5.271 5.235 0.036 18229 204 1 . 1 1 37 37 VAL C C 37 175.209 175.209 174.131 1.078 18229 205 1 . 1 1 37 37 VAL CA C 37 60.263 60.263 60.515 -0.252 18229 206 1 . 1 1 37 37 VAL CB C 37 35.983 35.983 35.178 0.805 18229 207 1 . 1 1 37 37 VAL H H 37 8.526 8.526 8.379 0.147 18229 208 1 . 1 1 38 38 HIS N N 38 126.087 126.087 126.354 -0.267 18229 209 1 . 1 1 38 38 HIS HA H 38 5.021 5.021 4.967 0.054 18229 210 1 . 1 1 38 38 HIS C C 38 173.116 173.116 174.401 -1.285 18229 211 1 . 1 1 38 38 HIS CA C 38 55.808 55.808 54.732 1.076 18229 212 1 . 1 1 38 38 HIS CB C 38 32.983 32.983 32.477 0.506 18229 213 1 . 1 1 38 38 HIS H H 38 9.633 9.633 9.564 0.069 18229 214 1 . 1 1 39 39 THR N N 39 124.455 124.455 120.615 3.840 18229 215 1 . 1 1 39 39 THR HA H 39 5.155 5.155 5.107 0.048 18229 216 1 . 1 1 39 39 THR C C 39 173.102 173.102 173.563 -0.461 18229 217 1 . 1 1 39 39 THR CA C 39 61.637 61.637 61.702 -0.065 18229 218 1 . 1 1 39 39 THR CB C 39 70.716 70.716 69.744 0.972 18229 219 1 . 1 1 39 39 THR H H 39 8.415 8.415 8.620 -0.205 18229 220 1 . 1 1 40 40 VAL N N 40 126.066 126.066 124.753 1.313 18229 221 1 . 1 1 40 40 VAL HA H 40 3.953 3.953 4.192 -0.239 18229 222 1 . 1 1 40 40 VAL C C 40 174.693 174.693 173.916 0.777 18229 223 1 . 1 1 40 40 VAL CA C 40 60.348 60.348 60.281 0.068 18229 224 1 . 1 1 40 40 VAL CB C 40 34.274 34.274 35.960 -1.686 18229 225 1 . 1 1 40 40 VAL H H 40 9.387 9.387 9.230 0.157 18229 226 1 . 1 1 41 41 VAL N N 41 129.775 129.775 128.546 1.229 18229 227 1 . 1 1 41 41 VAL HA H 41 3.988 3.988 4.481 -0.493 18229 228 1 . 1 1 41 41 VAL C C 41 179.424 179.424 176.669 2.755 18229 229 1 . 1 1 41 41 VAL CA C 41 63.744 63.744 60.457 3.287 18229 230 1 . 1 1 41 41 VAL CB C 41 30.951 30.951 30.845 0.106 18229 231 1 . 1 1 41 41 VAL H H 41 9.021 9.021 8.745 0.276 18229 232 1 . 1 1 42 42 LEU N N 42 129.645 129.645 128.163 1.482 18229 233 1 . 1 1 42 42 LEU HA H 42 3.973 3.973 4.085 -0.112 18229 234 1 . 1 1 42 42 LEU C C 42 176.259 176.259 177.970 -1.711 18229 235 1 . 1 1 42 42 LEU CA C 42 58.643 58.643 57.541 1.102 18229 236 1 . 1 1 42 42 LEU CB C 42 40.828 40.828 41.303 -0.475 18229 237 1 . 1 1 42 42 LEU H H 42 9.147 9.147 8.622 0.525 18229 238 1 . 1 1 43 43 SER N N 43 110.158 110.158 111.727 -1.569 18229 239 1 . 1 1 43 43 SER HA H 43 4.310 4.310 4.193 0.117 18229 240 1 . 1 1 43 43 SER C C 43 175.263 175.263 175.998 -0.735 18229 241 1 . 1 1 43 43 SER CA C 43 59.620 59.620 60.696 -1.076 18229 242 1 . 1 1 43 43 SER CB C 43 61.543 61.543 63.574 -2.031 18229 243 1 . 1 1 43 43 SER H H 43 7.006 7.006 8.181 -1.175 18229 244 1 . 1 1 44 44 THR N N 44 110.206 110.206 114.427 -4.221 18229 245 1 . 1 1 44 44 THR HA H 44 4.504 4.504 4.179 0.325 18229 246 1 . 1 1 44 44 THR C C 44 173.489 173.489 175.770 -2.281 18229 247 1 . 1 1 44 44 THR CA C 44 62.024 62.024 64.125 -2.101 18229 248 1 . 1 1 44 44 THR CB C 44 69.805 69.805 68.919 0.886 18229 249 1 . 1 1 44 44 THR H H 44 7.571 7.571 7.707 -0.136 18229 250 1 . 1 1 45 45 ILE N N 45 120.322 120.322 123.752 -3.430 18229 251 1 . 1 1 45 45 ILE HA H 45 4.267 4.267 4.192 0.075 18229 252 1 . 1 1 45 45 ILE C C 45 174.103 174.103 176.241 -2.138 18229 253 1 . 1 1 45 45 ILE CA C 45 57.970 57.970 61.517 -3.547 18229 254 1 . 1 1 45 45 ILE CB C 45 36.560 36.560 35.935 0.625 18229 255 1 . 1 1 45 45 ILE H H 45 6.975 6.975 8.015 -1.040 18229 256 1 . 1 1 46 46 ASP N N 46 126.492 126.492 127.759 -1.267 18229 257 1 . 1 1 46 46 ASP HA H 46 4.711 4.711 4.379 0.332 18229 258 1 . 1 1 46 46 ASP C C 46 175.431 175.431 175.540 -0.109 18229 259 1 . 1 1 46 46 ASP CA C 46 54.833 54.833 56.532 -1.699 18229 260 1 . 1 1 46 46 ASP CB C 46 44.535 44.535 41.776 2.759 18229 261 1 . 1 1 46 46 ASP H H 46 9.262 9.262 8.793 0.469 18229 262 1 . 1 1 47 47 LYS N N 47 112.726 112.726 113.097 -0.371 18229 263 1 . 1 1 47 47 LYS HA H 47 4.707 4.707 4.458 0.249 18229 264 1 . 1 1 47 47 LYS C C 47 172.673 172.673 173.871 -1.198 18229 265 1 . 1 1 47 47 LYS CA C 47 54.821 54.821 55.478 -0.657 18229 266 1 . 1 1 47 47 LYS CB C 47 36.609 36.609 34.457 2.152 18229 267 1 . 1 1 47 47 LYS H H 47 7.572 7.572 7.396 0.176 18229 268 1 . 1 1 48 48 LEU N N 48 124.840 124.840 123.003 1.837 18229 269 1 . 1 1 48 48 LEU HA H 48 5.051 5.051 4.923 0.128 18229 270 1 . 1 1 48 48 LEU C C 48 173.965 173.965 175.775 -1.810 18229 271 1 . 1 1 48 48 LEU CA C 48 53.020 53.020 54.200 -1.180 18229 272 1 . 1 1 48 48 LEU CB C 48 45.564 45.564 43.341 2.223 18229 273 1 . 1 1 48 48 LEU H H 48 9.013 9.013 8.483 0.530 18229 274 1 . 1 1 49 49 GLN N N 49 121.648 121.648 126.056 -4.408 18229 275 1 . 1 1 49 49 GLN HA H 49 5.518 5.518 4.745 0.773 18229 276 1 . 1 1 49 49 GLN C C 49 174.700 174.700 173.918 0.782 18229 277 1 . 1 1 49 49 GLN CA C 49 53.599 53.599 54.299 -0.700 18229 278 1 . 1 1 49 49 GLN CB C 49 34.026 34.026 32.931 1.095 18229 279 1 . 1 1 49 49 GLN H H 49 9.260 9.260 9.377 -0.117 18229 280 1 . 1 1 50 50 ALA N N 50 122.020 122.020 124.741 -2.721 18229 281 1 . 1 1 50 50 ALA HA H 50 5.747 5.747 5.121 0.626 18229 282 1 . 1 1 50 50 ALA C C 50 177.167 177.167 176.349 0.818 18229 283 1 . 1 1 50 50 ALA CA C 50 50.592 50.592 51.080 -0.489 18229 284 1 . 1 1 50 50 ALA CB C 50 24.363 24.363 22.235 2.128 18229 285 1 . 1 1 50 50 ALA H H 50 9.286 9.286 8.369 0.917 18229 286 1 . 1 1 51 51 THR N N 51 114.222 114.222 115.630 -1.408 18229 287 1 . 1 1 51 51 THR HA H 51 4.735 4.735 4.390 0.345 18229 288 1 . 1 1 51 51 THR CA C 51 59.228 59.228 61.212 -1.984 18229 289 1 . 1 1 51 51 THR CB C 51 67.954 67.954 68.322 -0.368 18229 290 1 . 1 1 51 51 THR H H 51 8.340 8.340 8.855 -0.515 18229 291 1 . 1 1 52 52 PRO HA H 52 4.570 4.570 4.482 0.088 18229 292 1 . 1 1 52 52 PRO C C 52 178.621 178.621 177.448 1.173 18229 293 1 . 1 1 52 52 PRO CA C 52 62.428 62.428 62.363 0.065 18229 294 1 . 1 1 52 52 PRO CB C 52 32.719 32.719 32.549 0.170 18229 295 1 . 1 1 53 53 ALA N N 53 126.566 126.566 123.052 3.514 18229 296 1 . 1 1 53 53 ALA HA H 53 4.055 4.055 4.099 -0.044 18229 297 1 . 1 1 53 53 ALA C C 53 177.578 177.578 178.996 -1.418 18229 298 1 . 1 1 53 53 ALA CA C 53 54.820 54.820 54.568 0.253 18229 299 1 . 1 1 53 53 ALA CB C 53 17.857 17.857 18.596 -0.739 18229 300 1 . 1 1 53 53 ALA H H 53 9.109 9.109 8.479 0.630 18229 301 1 . 1 1 54 54 SER N N 54 107.184 107.184 111.430 -4.246 18229 302 1 . 1 1 54 54 SER HA H 54 4.235 4.235 4.368 -0.133 18229 303 1 . 1 1 54 54 SER C C 54 174.838 174.838 174.451 0.387 18229 304 1 . 1 1 54 54 SER CA C 54 58.116 58.116 59.102 -0.986 18229 305 1 . 1 1 54 54 SER CB C 54 63.021 63.021 63.128 -0.107 18229 306 1 . 1 1 54 54 SER H H 54 7.595 7.595 8.102 -0.507 18229 307 1 . 1 1 55 55 SER N N 55 117.098 117.098 117.398 -0.301 18229 308 1 . 1 1 55 55 SER HA H 55 4.484 4.484 4.501 -0.017 18229 309 1 . 1 1 55 55 SER C C 55 174.833 174.833 174.534 0.299 18229 310 1 . 1 1 55 55 SER CA C 55 57.510 57.510 58.131 -0.621 18229 311 1 . 1 1 55 55 SER CB C 55 64.121 64.121 63.980 0.141 18229 312 1 . 1 1 55 55 SER H H 55 7.613 7.613 7.572 0.041 18229 313 1 . 1 1 56 56 GLU N N 56 125.258 125.258 125.256 0.002 18229 314 1 . 1 1 56 56 GLU HA H 56 4.129 4.129 4.064 0.065 18229 315 1 . 1 1 56 56 GLU C C 56 177.852 177.852 176.325 1.527 18229 316 1 . 1 1 56 56 GLU CA C 56 57.612 57.612 58.222 -0.610 18229 317 1 . 1 1 56 56 GLU CB C 56 29.424 29.424 29.857 -0.433 18229 318 1 . 1 1 56 56 GLU H H 56 8.849 8.849 8.805 0.044 18229 319 1 . 1 1 57 57 LYS N N 57 119.058 119.058 117.827 1.231 18229 320 1 . 1 1 57 57 LYS HA H 57 4.299 4.299 4.446 -0.147 18229 321 1 . 1 1 57 57 LYS C C 57 175.699 175.699 175.654 0.045 18229 322 1 . 1 1 57 57 LYS CA C 57 55.645 55.645 55.027 0.618 18229 323 1 . 1 1 57 57 LYS CB C 57 33.270 33.270 32.618 0.652 18229 324 1 . 1 1 57 57 LYS H H 57 8.060 8.060 7.625 0.435 18229 325 1 . 1 1 58 58 MET N N 58 123.967 123.967 122.279 1.688 18229 326 1 . 1 1 58 58 MET HA H 58 4.345 4.345 4.738 -0.393 18229 327 1 . 1 1 58 58 MET C C 58 174.213 174.213 175.210 -0.997 18229 328 1 . 1 1 58 58 MET CA C 58 55.170 55.170 54.931 0.239 18229 329 1 . 1 1 58 58 MET CB C 58 35.330 35.330 33.026 2.304 18229 330 1 . 1 1 58 58 MET H H 58 8.828 8.828 8.603 0.225 18229 331 1 . 1 1 59 59 MET N N 59 120.929 120.929 121.785 -0.856 18229 332 1 . 1 1 59 59 MET HA H 59 5.905 5.905 5.324 0.581 18229 333 1 . 1 1 59 59 MET C C 59 174.521 174.521 174.017 0.504 18229 334 1 . 1 1 59 59 MET CA C 59 55.038 55.038 55.485 -0.447 18229 335 1 . 1 1 59 59 MET CB C 59 39.549 39.549 37.712 1.837 18229 336 1 . 1 1 59 59 MET H H 59 8.528 8.528 9.383 -0.855 18229 337 1 . 1 1 60 60 LEU N N 60 117.623 117.623 121.567 -3.944 18229 338 1 . 1 1 60 60 LEU HA H 60 5.665 5.665 5.144 0.521 18229 339 1 . 1 1 60 60 LEU C C 60 175.763 175.763 175.195 0.568 18229 340 1 . 1 1 60 60 LEU CA C 60 53.185 53.185 53.839 -0.654 18229 341 1 . 1 1 60 60 LEU CB C 60 47.561 47.561 45.289 2.272 18229 342 1 . 1 1 60 60 LEU H H 60 9.052 9.052 9.623 -0.571 18229 343 1 . 1 1 61 61 ARG N N 61 120.407 120.407 121.392 -0.985 18229 344 1 . 1 1 61 61 ARG HA H 61 5.471 5.471 5.720 -0.249 18229 345 1 . 1 1 61 61 ARG C C 61 173.286 173.286 174.038 -0.752 18229 346 1 . 1 1 61 61 ARG CA C 61 54.931 54.931 54.625 0.306 18229 347 1 . 1 1 61 61 ARG CB C 61 35.335 35.335 35.382 -0.047 18229 348 1 . 1 1 61 61 ARG H H 61 9.180 9.180 9.549 -0.369 18229 349 1 . 1 1 62 62 LEU N N 62 126.471 126.471 125.290 1.181 18229 350 1 . 1 1 62 62 LEU HA H 62 5.198 5.198 5.219 -0.021 18229 351 1 . 1 1 62 62 LEU C C 62 175.447 175.447 176.028 -0.581 18229 352 1 . 1 1 62 62 LEU CA C 62 54.408 54.408 54.337 0.071 18229 353 1 . 1 1 62 62 LEU CB C 62 43.433 43.433 44.783 -1.350 18229 354 1 . 1 1 62 62 LEU H H 62 9.203 9.203 9.128 0.075 18229 355 1 . 1 1 63 63 ILE N N 63 123.282 123.282 123.726 -0.444 18229 356 1 . 1 1 63 63 ILE HA H 63 4.697 4.697 4.328 0.369 18229 357 1 . 1 1 63 63 ILE C C 63 176.525 176.525 176.537 -0.012 18229 358 1 . 1 1 63 63 ILE CA C 63 59.676 59.676 59.741 -0.065 18229 359 1 . 1 1 63 63 ILE CB C 63 38.705 38.705 38.078 0.627 18229 360 1 . 1 1 63 63 ILE H H 63 8.983 8.983 8.897 0.086 18229 361 1 . 1 1 64 64 GLY N N 64 115.647 115.647 110.461 5.186 18229 362 1 . 1 1 64 64 GLY C C 64 172.300 172.300 173.037 -0.738 18229 363 1 . 1 1 64 64 GLY CA C 64 45.662 45.662 43.679 1.983 18229 364 1 . 1 1 64 64 GLY H H 64 9.372 9.372 8.514 0.858 18229 365 1 . 1 1 65 65 LYS N N 65 119.107 119.107 123.172 -4.065 18229 366 1 . 1 1 65 65 LYS HA H 65 4.306 4.306 4.280 0.026 18229 367 1 . 1 1 65 65 LYS C C 65 177.404 177.404 176.026 1.378 18229 368 1 . 1 1 65 65 LYS CA C 65 56.501 56.501 56.648 -0.147 18229 369 1 . 1 1 65 65 LYS CB C 65 34.418 34.418 32.695 1.723 18229 370 1 . 1 1 65 65 LYS H H 65 8.289 8.289 8.079 0.210 18229 371 1 . 1 1 66 66 VAL N N 66 122.231 122.231 123.567 -1.336 18229 372 1 . 1 1 66 66 VAL HA H 66 4.079 4.079 4.183 -0.104 18229 373 1 . 1 1 66 66 VAL C C 66 175.253 175.253 175.746 -0.493 18229 374 1 . 1 1 66 66 VAL CA C 66 62.136 62.136 61.280 0.856 18229 375 1 . 1 1 66 66 VAL CB C 66 33.284 33.284 33.852 -0.568 18229 376 1 . 1 1 66 66 VAL H H 66 8.607 8.607 8.268 0.339 18229 377 1 . 1 1 67 67 ASP N N 67 125.538 125.538 124.898 0.640 18229 378 1 . 1 1 67 67 ASP HA H 67 4.699 4.699 4.827 -0.128 18229 379 1 . 1 1 67 67 ASP C C 67 176.601 176.601 176.158 0.443 18229 380 1 . 1 1 67 67 ASP CA C 67 53.058 53.058 53.778 -0.720 18229 381 1 . 1 1 67 67 ASP CB C 67 40.872 40.872 40.484 0.388 18229 382 1 . 1 1 67 67 ASP H H 67 8.457 8.457 8.660 -0.203 18229 383 1 . 1 1 68 68 GLU N N 68 124.433 124.433 119.151 5.282 18229 384 1 . 1 1 68 68 GLU HA H 68 4.124 4.124 4.093 0.031 18229 385 1 . 1 1 68 68 GLU C C 68 177.344 177.344 176.851 0.493 18229 386 1 . 1 1 68 68 GLU CA C 68 57.635 57.635 58.150 -0.515 18229 387 1 . 1 1 68 68 GLU CB C 68 29.680 29.680 29.081 0.599 18229 388 1 . 1 1 68 68 GLU H H 68 8.712 8.712 8.221 0.491 18229 389 1 . 1 1 69 69 SER N N 69 115.596 115.596 113.728 1.868 18229 390 1 . 1 1 69 69 SER HA H 69 4.328 4.328 4.352 -0.024 18229 391 1 . 1 1 69 69 SER C C 69 175.180 175.180 175.241 -0.061 18229 392 1 . 1 1 69 69 SER CA C 69 60.146 60.146 59.755 0.391 18229 393 1 . 1 1 69 69 SER CB C 69 63.383 63.383 63.070 0.313 18229 394 1 . 1 1 69 69 SER H H 69 8.467 8.467 8.180 0.287 18229 395 1 . 1 1 70 70 LYS N N 70 121.738 121.738 120.689 1.049 18229 396 1 . 1 1 70 70 LYS HA H 70 4.406 4.406 4.250 0.156 18229 397 1 . 1 1 70 70 LYS C C 70 176.165 176.165 176.235 -0.070 18229 398 1 . 1 1 70 70 LYS CA C 70 55.410 55.410 56.525 -1.115 18229 399 1 . 1 1 70 70 LYS CB C 70 32.500 32.500 33.148 -0.648 18229 400 1 . 1 1 70 70 LYS H H 70 7.675 7.675 7.666 0.009 18229 401 1 . 1 1 71 71 LYS N N 71 121.087 121.087 117.379 3.708 18229 402 1 . 1 1 71 71 LYS HA H 71 4.408 4.408 4.072 0.336 18229 403 1 . 1 1 71 71 LYS C C 71 176.134 176.134 175.351 0.783 18229 404 1 . 1 1 71 71 LYS CA C 71 56.605 56.605 56.984 -0.379 18229 405 1 . 1 1 71 71 LYS CB C 71 33.283 33.283 31.298 1.985 18229 406 1 . 1 1 71 71 LYS H H 71 7.739 7.739 8.185 -0.446 18229 407 1 . 1 1 72 72 ARG N N 72 122.147 122.147 121.097 1.050 18229 408 1 . 1 1 72 72 ARG HA H 72 4.584 4.584 4.524 0.060 18229 409 1 . 1 1 72 72 ARG C C 72 175.217 175.217 175.561 -0.344 18229 410 1 . 1 1 72 72 ARG CA C 72 55.041 55.041 54.663 0.378 18229 411 1 . 1 1 72 72 ARG CB C 72 32.354 32.354 32.117 0.237 18229 412 1 . 1 1 72 72 ARG H H 72 8.402 8.402 8.445 -0.043 18229 413 1 . 1 1 73 73 LYS N N 73 121.242 121.242 121.914 -0.672 18229 414 1 . 1 1 73 73 LYS HA H 73 4.899 4.899 4.518 0.381 18229 415 1 . 1 1 73 73 LYS C C 73 176.966 176.966 175.659 1.307 18229 416 1 . 1 1 73 73 LYS CA C 73 55.365 55.365 55.675 -0.310 18229 417 1 . 1 1 73 73 LYS CB C 73 34.631 34.631 33.728 0.903 18229 418 1 . 1 1 73 73 LYS H H 73 8.386 8.386 8.407 -0.021 18229 419 1 . 1 1 74 74 ASP N N 74 122.007 122.007 119.313 2.694 18229 420 1 . 1 1 74 74 ASP HA H 74 4.651 4.651 4.749 -0.098 18229 421 1 . 1 1 74 74 ASP C C 74 177.401 177.401 176.594 0.807 18229 422 1 . 1 1 74 74 ASP CA C 74 52.840 52.840 54.175 -1.335 18229 423 1 . 1 1 74 74 ASP CB C 74 41.008 41.008 42.168 -1.160 18229 424 1 . 1 1 74 74 ASP H H 74 8.559 8.559 8.386 0.173 18229 425 1 . 1 1 75 75 ASN N N 75 116.263 116.263 116.645 -0.382 18229 426 1 . 1 1 75 75 ASN HA H 75 4.535 4.535 4.621 -0.086 18229 427 1 . 1 1 75 75 ASN C C 75 175.944 175.944 175.037 0.907 18229 428 1 . 1 1 75 75 ASN CA C 75 54.877 54.877 54.094 0.783 18229 429 1 . 1 1 75 75 ASN CB C 75 38.110 38.110 38.778 -0.668 18229 430 1 . 1 1 75 75 ASN H H 75 8.414 8.414 8.317 0.097 18229 431 1 . 1 1 76 76 GLU N N 76 118.940 118.940 119.496 -0.556 18229 432 1 . 1 1 76 76 GLU HA H 76 4.393 4.393 4.487 -0.094 18229 433 1 . 1 1 76 76 GLU C C 76 176.512 176.512 176.342 0.170 18229 434 1 . 1 1 76 76 GLU CA C 76 56.166 56.166 55.623 0.543 18229 435 1 . 1 1 76 76 GLU CB C 76 30.010 30.010 29.442 0.568 18229 436 1 . 1 1 76 76 GLU H H 76 8.133 8.133 8.135 -0.002 18229 437 1 . 1 1 77 77 GLY N N 77 108.056 108.056 108.639 -0.583 18229 438 1 . 1 1 77 77 GLY C C 77 174.193 174.193 174.210 -0.017 18229 439 1 . 1 1 77 77 GLY CA C 77 45.287 45.287 45.729 -0.442 18229 440 1 . 1 1 77 77 GLY H H 77 8.083 8.083 8.020 0.063 18229 441 1 . 1 1 78 78 ASN N N 78 119.896 119.896 117.744 2.151 18229 442 1 . 1 1 78 78 ASN HA H 78 4.742 4.742 4.596 0.146 18229 443 1 . 1 1 78 78 ASN C C 78 175.006 175.006 174.735 0.271 18229 444 1 . 1 1 78 78 ASN CA C 78 52.827 52.827 53.205 -0.378 18229 445 1 . 1 1 78 78 ASN CB C 78 38.996 38.996 39.163 -0.167 18229 446 1 . 1 1 78 78 ASN H H 78 8.537 8.537 8.166 0.371 18229 447 1 . 1 1 79 79 GLU N N 79 121.648 121.648 118.966 2.682 18229 448 1 . 1 1 79 79 GLU HA H 79 4.471 4.471 4.494 -0.023 18229 449 1 . 1 1 79 79 GLU C C 79 176.268 176.268 175.647 0.621 18229 450 1 . 1 1 79 79 GLU CA C 79 56.610 56.610 55.985 0.625 18229 451 1 . 1 1 79 79 GLU CB C 79 30.307 30.307 30.688 -0.381 18229 452 1 . 1 1 79 79 GLU H H 79 8.674 8.674 8.385 0.289 18229 453 1 . 1 1 80 80 VAL N N 80 124.083 124.083 125.203 -1.120 18229 454 1 . 1 1 80 80 VAL HA H 80 4.248 4.248 4.203 0.045 18229 455 1 . 1 1 80 80 VAL C C 80 175.537 175.537 175.576 -0.039 18229 456 1 . 1 1 80 80 VAL CA C 80 61.465 61.465 62.339 -0.874 18229 457 1 . 1 1 80 80 VAL CB C 80 33.553 33.553 33.396 0.157 18229 458 1 . 1 1 80 80 VAL H H 80 8.554 8.554 8.939 -0.385 18229 459 1 . 1 1 81 81 VAL N N 81 126.640 126.640 122.762 3.878 18229 460 1 . 1 1 81 81 VAL HA H 81 4.427 4.427 4.087 0.340 18229 461 1 . 1 1 81 81 VAL CA C 81 59.605 59.605 60.436 -0.831 18229 462 1 . 1 1 81 81 VAL CB C 81 32.876 32.876 31.670 1.206 18229 463 1 . 1 1 81 81 VAL H H 81 8.390 8.390 8.252 0.139 18229 464 1 . 1 1 82 82 PRO HA H 82 4.427 4.427 4.323 0.104 18229 465 1 . 1 1 82 82 PRO C C 82 176.034 176.034 176.124 -0.090 18229 466 1 . 1 1 82 82 PRO CA C 82 62.710 62.710 63.289 -0.579 18229 467 1 . 1 1 82 82 PRO CB C 82 32.352 32.352 32.116 0.236 18229 468 1 . 1 1 83 83 LYS N N 83 121.719 121.719 122.324 -0.605 18229 469 1 . 1 1 83 83 LYS HA H 83 4.548 4.548 4.359 0.189 18229 470 1 . 1 1 83 83 LYS CA C 83 53.856 53.856 54.929 -1.073 18229 471 1 . 1 1 83 83 LYS CB C 83 32.330 32.330 32.175 0.154 18229 472 1 . 1 1 83 83 LYS H H 83 8.308 8.308 8.208 0.100 18229 473 1 . 1 1 84 84 PRO HA H 84 4.296 4.296 4.513 -0.217 18229 474 1 . 1 1 84 84 PRO C C 84 176.773 176.773 176.048 0.725 18229 475 1 . 1 1 84 84 PRO CA C 84 62.556 62.556 62.455 0.101 18229 476 1 . 1 1 84 84 PRO CB C 84 32.618 32.618 32.014 0.604 18229 477 1 . 1 1 85 85 GLN N N 85 121.395 121.395 121.566 -0.171 18229 478 1 . 1 1 85 85 GLN HA H 85 4.141 4.141 4.298 -0.157 18229 479 1 . 1 1 85 85 GLN C C 85 174.940 174.940 174.838 0.102 18229 480 1 . 1 1 85 85 GLN CA C 85 56.062 56.062 55.747 0.315 18229 481 1 . 1 1 85 85 GLN CB C 85 29.730 29.730 29.740 -0.010 18229 482 1 . 1 1 85 85 GLN H H 85 8.464 8.464 8.427 0.037 18229 483 1 . 1 1 86 86 ARG N N 86 121.035 121.035 121.224 -0.189 18229 484 1 . 1 1 86 86 ARG HA H 86 5.127 5.127 4.783 0.344 18229 485 1 . 1 1 86 86 ARG C C 86 175.052 175.052 175.259 -0.207 18229 486 1 . 1 1 86 86 ARG CA C 86 54.534 54.534 54.783 -0.249 18229 487 1 . 1 1 86 86 ARG CB C 86 33.333 33.333 33.165 0.168 18229 488 1 . 1 1 86 86 ARG H H 86 8.248 8.248 8.386 -0.138 18229 489 1 . 1 1 87 87 HIS N N 87 120.780 120.780 122.077 -1.297 18229 490 1 . 1 1 87 87 HIS HA H 87 4.682 4.682 4.557 0.125 18229 491 1 . 1 1 87 87 HIS C C 87 173.558 173.558 173.630 -0.072 18229 492 1 . 1 1 87 87 HIS CA C 87 54.192 54.192 54.824 -0.632 18229 493 1 . 1 1 87 87 HIS CB C 87 33.054 33.054 30.537 2.517 18229 494 1 . 1 1 87 87 HIS H H 87 8.659 8.659 9.031 -0.372 18229 495 1 . 1 1 88 88 MET N N 88 126.780 126.780 123.760 3.020 18229 496 1 . 1 1 88 88 MET HA H 88 5.283 5.283 4.475 0.808 18229 497 1 . 1 1 88 88 MET C C 88 173.297 173.297 173.526 -0.229 18229 498 1 . 1 1 88 88 MET CA C 88 54.835 54.835 54.818 0.017 18229 499 1 . 1 1 88 88 MET CB C 88 35.794 35.794 34.150 1.644 18229 500 1 . 1 1 88 88 MET H H 88 8.710 8.710 8.256 0.454 18229 501 1 . 1 1 89 89 PHE N N 89 122.543 122.543 124.241 -1.698 18229 502 1 . 1 1 89 89 PHE HA H 89 5.195 5.195 5.350 -0.155 18229 503 1 . 1 1 89 89 PHE C C 89 174.410 174.410 174.899 -0.489 18229 504 1 . 1 1 89 89 PHE CA C 89 56.379 56.379 55.705 0.674 18229 505 1 . 1 1 89 89 PHE CB C 89 44.189 44.189 41.341 2.848 18229 506 1 . 1 1 89 89 PHE H H 89 8.969 8.969 9.392 -0.423 18229 507 1 . 1 1 90 90 SER N N 90 116.192 116.192 119.841 -3.649 18229 508 1 . 1 1 90 90 SER HA H 90 5.696 5.696 4.853 0.843 18229 509 1 . 1 1 90 90 SER C C 90 173.030 173.030 173.922 -0.892 18229 510 1 . 1 1 90 90 SER CA C 90 56.771 56.771 58.047 -1.276 18229 511 1 . 1 1 90 90 SER CB C 90 64.961 64.961 63.627 1.334 18229 512 1 . 1 1 90 90 SER H H 90 8.657 8.657 8.545 0.112 18229 513 1 . 1 1 91 91 PHE N N 91 120.710 120.710 125.432 -4.722 18229 514 1 . 1 1 91 91 PHE HA H 91 4.887 4.887 4.665 0.222 18229 515 1 . 1 1 91 91 PHE C C 91 174.442 174.442 175.744 -1.302 18229 516 1 . 1 1 91 91 PHE CA C 91 57.425 57.425 58.170 -0.745 18229 517 1 . 1 1 91 91 PHE CB C 91 43.392 43.392 40.638 2.754 18229 518 1 . 1 1 91 91 PHE H H 91 9.001 9.001 8.608 0.393 18229 519 1 . 1 1 92 92 ASN N N 92 115.967 115.967 120.325 -4.358 18229 520 1 . 1 1 92 92 ASN HA H 92 5.107 5.107 4.833 0.273 18229 521 1 . 1 1 92 92 ASN C C 92 174.835 174.835 173.882 0.953 18229 522 1 . 1 1 92 92 ASN CA C 92 52.251 52.251 52.989 -0.739 18229 523 1 . 1 1 92 92 ASN CB C 92 39.889 39.889 38.968 0.921 18229 524 1 . 1 1 92 92 ASN H H 92 9.093 9.093 8.939 0.154 18229 525 1 . 1 1 93 93 ASN N N 93 118.401 118.401 116.844 1.557 18229 526 1 . 1 1 93 93 ASN HA H 93 4.922 4.922 4.818 0.104 18229 527 1 . 1 1 93 93 ASN C C 93 174.524 174.524 174.419 0.105 18229 528 1 . 1 1 93 93 ASN CA C 93 53.013 53.013 53.462 -0.449 18229 529 1 . 1 1 93 93 ASN CB C 93 41.761 41.761 40.104 1.657 18229 530 1 . 1 1 93 93 ASN H H 93 7.252 7.252 7.792 -0.540 18229 531 1 . 1 1 94 94 ARG N N 94 129.175 129.175 124.595 4.580 18229 532 1 . 1 1 94 94 ARG HA H 94 3.865 3.865 4.027 -0.162 18229 533 1 . 1 1 94 94 ARG C C 94 176.797 176.797 177.419 -0.622 18229 534 1 . 1 1 94 94 ARG CA C 94 59.483 59.483 59.203 0.280 18229 535 1 . 1 1 94 94 ARG CB C 94 30.129 30.129 30.136 -0.008 18229 536 1 . 1 1 94 94 ARG H H 94 9.309 9.309 8.920 0.389 18229 537 1 . 1 1 95 95 THR N N 95 115.594 115.594 114.129 1.465 18229 538 1 . 1 1 95 95 THR HA H 95 4.021 4.021 4.101 -0.080 18229 539 1 . 1 1 95 95 THR C C 95 176.735 176.735 176.173 0.562 18229 540 1 . 1 1 95 95 THR CA C 95 66.430 66.430 66.362 0.068 18229 541 1 . 1 1 95 95 THR CB C 95 68.357 68.357 68.493 -0.136 18229 542 1 . 1 1 95 95 THR H H 95 7.973 7.973 8.133 -0.160 18229 543 1 . 1 1 96 96 VAL N N 96 121.833 121.833 121.597 0.236 18229 544 1 . 1 1 96 96 VAL HA H 96 3.783 3.783 3.744 0.039 18229 545 1 . 1 1 96 96 VAL C C 96 177.561 177.561 177.947 -0.386 18229 546 1 . 1 1 96 96 VAL CA C 96 66.125 66.125 66.259 -0.134 18229 547 1 . 1 1 96 96 VAL CB C 96 32.201 32.201 31.258 0.943 18229 548 1 . 1 1 96 96 VAL H H 96 7.565 7.565 7.584 -0.019 18229 549 1 . 1 1 97 97 MET N N 97 117.429 117.429 118.007 -0.578 18229 550 1 . 1 1 97 97 MET HA H 97 4.551 4.551 3.377 1.174 18229 551 1 . 1 1 97 97 MET C C 97 177.257 177.257 177.696 -0.439 18229 552 1 . 1 1 97 97 MET CA C 97 59.753 59.753 58.506 1.247 18229 553 1 . 1 1 97 97 MET CB C 97 32.515 32.515 31.444 1.071 18229 554 1 . 1 1 97 97 MET H H 97 7.336 7.336 8.244 -0.908 18229 555 1 . 1 1 98 98 ASP N N 98 118.159 118.159 119.717 -1.558 18229 556 1 . 1 1 98 98 ASP HA H 98 4.315 4.315 4.312 0.003 18229 557 1 . 1 1 98 98 ASP C C 98 178.771 178.771 178.154 0.617 18229 558 1 . 1 1 98 98 ASP CA C 98 57.604 57.604 57.097 0.507 18229 559 1 . 1 1 98 98 ASP CB C 98 39.664 39.664 40.656 -0.992 18229 560 1 . 1 1 98 98 ASP H H 98 8.712 8.712 8.179 0.533 18229 561 1 . 1 1 99 99 ASN N N 99 120.354 120.354 117.521 2.833 18229 562 1 . 1 1 99 99 ASN HA H 99 4.480 4.480 4.579 -0.099 18229 563 1 . 1 1 99 99 ASN C C 99 178.232 178.232 177.354 0.878 18229 564 1 . 1 1 99 99 ASN CA C 99 56.300 56.300 55.427 0.873 18229 565 1 . 1 1 99 99 ASN CB C 99 38.448 38.448 39.112 -0.664 18229 566 1 . 1 1 99 99 ASN H H 99 8.084 8.084 7.671 0.413 18229 567 1 . 1 1 100 100 ILE N N 100 120.990 120.990 121.832 -0.842 18229 568 1 . 1 1 100 100 ILE HA H 100 3.637 3.637 3.897 -0.259 18229 569 1 . 1 1 100 100 ILE C C 100 177.463 177.463 177.900 -0.437 18229 570 1 . 1 1 100 100 ILE CA C 100 62.773 62.773 64.258 -1.485 18229 571 1 . 1 1 100 100 ILE CB C 100 35.467 35.467 37.329 -1.862 18229 572 1 . 1 1 100 100 ILE H H 100 8.017 8.017 8.577 -0.560 18229 573 1 . 1 1 101 101 LYS N N 101 120.814 120.814 119.594 1.220 18229 574 1 . 1 1 101 101 LYS HA H 101 3.635 3.635 3.847 -0.212 18229 575 1 . 1 1 101 101 LYS C C 101 177.365 177.365 179.060 -1.695 18229 576 1 . 1 1 101 101 LYS CA C 101 60.636 60.636 59.836 0.800 18229 577 1 . 1 1 101 101 LYS CB C 101 32.991 32.991 32.125 0.866 18229 578 1 . 1 1 101 101 LYS H H 101 8.944 8.944 8.190 0.754 18229 579 1 . 1 1 102 102 MET N N 102 116.514 116.514 115.636 0.878 18229 580 1 . 1 1 102 102 MET HA H 102 4.209 4.209 4.400 -0.191 18229 581 1 . 1 1 102 102 MET C C 102 178.925 178.925 178.056 0.869 18229 582 1 . 1 1 102 102 MET CA C 102 58.720 58.720 58.698 0.022 18229 583 1 . 1 1 102 102 MET CB C 102 32.299 32.299 32.584 -0.285 18229 584 1 . 1 1 102 102 MET H H 102 8.123 8.123 7.549 0.574 18229 585 1 . 1 1 103 103 THR N N 103 118.583 118.583 118.011 0.572 18229 586 1 . 1 1 103 103 THR HA H 103 3.882 3.882 4.085 -0.203 18229 587 1 . 1 1 103 103 THR C C 103 176.474 176.474 176.690 -0.216 18229 588 1 . 1 1 103 103 THR CA C 103 66.489 66.489 66.576 -0.087 18229 589 1 . 1 1 103 103 THR CB C 103 67.864 67.864 68.669 -0.805 18229 590 1 . 1 1 103 103 THR H H 103 7.768 7.768 7.994 -0.226 18229 591 1 . 1 1 104 104 LEU N N 104 119.575 119.575 121.421 -1.846 18229 592 1 . 1 1 104 104 LEU HA H 104 3.882 3.882 3.924 -0.042 18229 593 1 . 1 1 104 104 LEU C C 104 177.935 177.935 178.891 -0.955 18229 594 1 . 1 1 104 104 LEU CA C 104 57.976 57.976 58.591 -0.615 18229 595 1 . 1 1 104 104 LEU CB C 104 42.322 42.322 41.298 1.024 18229 596 1 . 1 1 104 104 LEU H H 104 8.537 8.537 8.569 -0.032 18229 597 1 . 1 1 105 105 GLN N N 105 119.463 119.463 117.457 2.006 18229 598 1 . 1 1 105 105 GLN HA H 105 3.709 3.709 3.841 -0.132 18229 599 1 . 1 1 105 105 GLN C C 105 178.507 178.507 178.520 -0.013 18229 600 1 . 1 1 105 105 GLN CA C 105 59.740 59.740 58.964 0.777 18229 601 1 . 1 1 105 105 GLN CB C 105 28.639 28.639 28.132 0.507 18229 602 1 . 1 1 105 105 GLN H H 105 8.736 8.736 7.740 0.996 18229 603 1 . 1 1 106 106 GLN N N 106 118.984 118.984 118.326 0.658 18229 604 1 . 1 1 106 106 GLN HA H 106 3.976 3.976 4.009 -0.033 18229 605 1 . 1 1 106 106 GLN C C 106 178.454 178.454 178.161 0.293 18229 606 1 . 1 1 106 106 GLN CA C 106 59.018 59.018 58.802 0.216 18229 607 1 . 1 1 106 106 GLN CB C 106 28.452 28.452 28.572 -0.120 18229 608 1 . 1 1 106 106 GLN H H 106 7.689 7.689 8.009 -0.320 18229 609 1 . 1 1 107 107 ILE N N 107 119.928 119.928 118.223 1.705 18229 610 1 . 1 1 107 107 ILE HA H 107 3.463 3.463 3.902 -0.439 18229 611 1 . 1 1 107 107 ILE C C 107 177.492 177.492 178.040 -0.548 18229 612 1 . 1 1 107 107 ILE CA C 107 65.442 65.442 63.960 1.483 18229 613 1 . 1 1 107 107 ILE CB C 107 39.495 39.495 38.467 1.028 18229 614 1 . 1 1 107 107 ILE H H 107 7.910 7.910 7.378 0.532 18229 615 1 . 1 1 108 108 ILE N N 108 117.958 117.958 121.515 -3.557 18229 616 1 . 1 1 108 108 ILE HA H 108 3.759 3.759 1.415 2.344 18229 617 1 . 1 1 108 108 ILE C C 108 178.625 178.625 177.795 0.830 18229 618 1 . 1 1 108 108 ILE CA C 108 65.579 65.579 64.798 0.781 18229 619 1 . 1 1 108 108 ILE CB C 108 38.252 38.252 36.530 1.722 18229 620 1 . 1 1 108 108 ILE H H 108 8.767 8.767 8.354 0.413 18229 621 1 . 1 1 109 109 SER N N 109 113.450 113.450 114.787 -1.337 18229 622 1 . 1 1 109 109 SER HA H 109 4.271 4.271 3.960 0.311 18229 623 1 . 1 1 109 109 SER C C 109 175.966 175.966 176.466 -0.500 18229 624 1 . 1 1 109 109 SER CA C 109 62.205 62.205 61.542 0.663 18229 625 1 . 1 1 109 109 SER CB C 109 63.094 63.094 62.553 0.541 18229 626 1 . 1 1 109 109 SER H H 109 7.797 7.797 8.251 -0.454 18229 627 1 . 1 1 110 110 ARG N N 110 120.739 120.739 121.034 -0.295 18229 628 1 . 1 1 110 110 ARG HA H 110 4.119 4.119 4.154 -0.035 18229 629 1 . 1 1 110 110 ARG C C 110 179.056 179.056 179.084 -0.028 18229 630 1 . 1 1 110 110 ARG CA C 110 58.820 58.820 58.864 -0.044 18229 631 1 . 1 1 110 110 ARG CB C 110 29.799 29.799 30.215 -0.416 18229 632 1 . 1 1 110 110 ARG H H 110 7.450 7.450 8.115 -0.665 18229 633 1 . 1 1 111 111 TYR N N 111 117.972 117.972 119.131 -1.159 18229 634 1 . 1 1 111 111 TYR HA H 111 4.706 4.706 4.337 0.369 18229 635 1 . 1 1 111 111 TYR C C 111 177.853 177.853 177.942 -0.089 18229 636 1 . 1 1 111 111 TYR CA C 111 58.613 58.613 58.004 0.609 18229 637 1 . 1 1 111 111 TYR CB C 111 37.308 37.308 37.412 -0.104 18229 638 1 . 1 1 111 111 TYR H H 111 7.558 7.558 8.452 -0.894 18229 639 1 . 1 1 112 112 LYS N N 112 120.615 120.615 118.303 2.312 18229 640 1 . 1 1 112 112 LYS HA H 112 4.381 4.381 4.199 0.182 18229 641 1 . 1 1 112 112 LYS C C 112 177.893 177.893 177.961 -0.068 18229 642 1 . 1 1 112 112 LYS CA C 112 57.589 57.589 57.555 0.034 18229 643 1 . 1 1 112 112 LYS CB C 112 32.603 32.603 32.018 0.585 18229 644 1 . 1 1 112 112 LYS H H 112 8.080 8.080 7.479 0.601 18229 645 1 . 1 1 113 113 ASP N N 113 120.325 120.325 120.011 0.314 18229 646 1 . 1 1 113 113 ASP HA H 113 4.644 4.644 4.483 0.161 18229 647 1 . 1 1 113 113 ASP C C 113 176.950 176.950 177.242 -0.292 18229 648 1 . 1 1 113 113 ASP CA C 113 55.263 55.263 56.072 -0.809 18229 649 1 . 1 1 113 113 ASP CB C 113 40.891 40.891 40.861 0.030 18229 650 1 . 1 1 113 113 ASP H H 113 8.191 8.191 8.343 -0.152 18229 651 1 . 1 1 114 114 ALA N N 114 122.906 122.906 120.402 2.504 18229 652 1 . 1 1 114 114 ALA HA H 114 4.348 4.348 4.352 -0.004 18229 653 1 . 1 1 114 114 ALA C C 114 178.055 178.055 177.841 0.214 18229 654 1 . 1 1 114 114 ALA CA C 114 53.174 53.174 52.236 0.939 18229 655 1 . 1 1 114 114 ALA CB C 114 19.100 19.100 19.672 -0.572 18229 656 1 . 1 1 114 114 ALA H H 114 7.900 7.900 7.669 0.231 18229 stop_ save_