data_18389 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18389 _Entry.PDB_ID 2LRP 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 18389 _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 ALA N N 2 119.048 119.048 125.794 -6.746 18389 2 1 1 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.570 -0.286 18389 3 1 1 . 1 1 2 2 ALA C C 2 174.144 174.144 177.897 -3.753 18389 4 1 1 . 1 1 2 2 ALA CA C 2 48.383 48.383 52.206 -3.823 18389 5 1 1 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.527 0.302 18389 6 1 1 . 1 1 2 2 ALA H H 2 9.577 9.577 8.499 1.078 18389 7 1 1 . 1 1 3 3 SER N N 3 114.278 114.278 113.308 0.970 18389 8 1 1 . 1 1 3 3 SER C C 3 173.040 173.040 173.954 -0.914 18389 9 1 1 . 1 1 3 3 SER H H 3 8.152 8.152 8.827 -0.675 18389 10 1 1 . 1 1 6 6 GLY N N 6 112.362 112.362 111.918 0.444 18389 11 1 1 . 1 1 6 6 GLY C C 6 170.686 170.686 173.392 -2.706 18389 12 1 1 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.050 -1.738 18389 13 1 1 . 1 1 6 6 GLY H H 6 8.750 8.750 8.851 -0.101 18389 14 1 1 . 1 1 7 7 GLU N N 7 117.722 117.722 121.324 -3.602 18389 15 1 1 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.531 -0.102 18389 16 1 1 . 1 1 7 7 GLU C C 7 172.744 172.744 174.758 -2.014 18389 17 1 1 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.597 -2.349 18389 18 1 1 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.498 -2.328 18389 19 1 1 . 1 1 7 7 GLU H H 7 8.078 8.078 7.935 0.143 18389 20 1 1 . 1 1 8 8 LYS N N 8 122.832 122.832 121.184 1.648 18389 21 1 1 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.528 0.011 18389 22 1 1 . 1 1 8 8 LYS C C 8 171.963 171.963 174.438 -2.475 18389 23 1 1 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.635 -2.070 18389 24 1 1 . 1 1 8 8 LYS CB C 8 33.185 33.185 35.879 -2.694 18389 25 1 1 . 1 1 8 8 LYS H H 8 8.434 8.434 8.852 -0.418 18389 26 1 1 . 1 1 9 9 MET N N 9 128.562 128.562 126.276 2.286 18389 27 1 1 . 1 1 9 9 MET HA H 9 4.536 4.536 4.347 0.189 18389 28 1 1 . 1 1 9 9 MET C C 9 172.911 172.911 175.204 -2.293 18389 29 1 1 . 1 1 9 9 MET CA C 9 53.012 53.012 56.725 -3.713 18389 30 1 1 . 1 1 9 9 MET CB C 9 28.376 28.376 32.955 -4.579 18389 31 1 1 . 1 1 9 9 MET H H 9 8.984 8.984 8.680 0.304 18389 32 1 1 . 1 1 10 10 LEU N N 10 129.881 129.881 126.690 3.191 18389 33 1 1 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.356 0.308 18389 34 1 1 . 1 1 10 10 LEU C C 10 174.887 174.887 176.141 -1.254 18389 35 1 1 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.929 -2.716 18389 36 1 1 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.076 -2.677 18389 37 1 1 . 1 1 10 10 LEU H H 10 9.751 9.751 8.693 1.058 18389 38 1 1 . 1 1 11 11 ASP N N 11 115.516 115.516 115.442 0.074 18389 39 1 1 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.603 0.120 18389 40 1 1 . 1 1 11 11 ASP C C 11 170.836 170.836 173.871 -3.035 18389 41 1 1 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.877 -0.294 18389 42 1 1 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.156 -2.937 18389 43 1 1 . 1 1 11 11 ASP H H 11 8.110 8.110 7.634 0.476 18389 44 1 1 . 1 1 12 12 ASP N N 12 124.144 124.144 124.751 -0.607 18389 45 1 1 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.853 -0.002 18389 46 1 1 . 1 1 12 12 ASP C C 12 175.055 175.055 176.244 -1.189 18389 47 1 1 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.492 -2.182 18389 48 1 1 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.392 -3.197 18389 49 1 1 . 1 1 12 12 ASP H H 12 8.053 8.053 8.657 -0.604 18389 50 1 1 . 1 1 13 13 PHE N N 13 117.584 117.584 116.548 1.036 18389 51 1 1 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.273 -0.001 18389 52 1 1 . 1 1 13 13 PHE C C 13 171.960 171.960 174.984 -3.024 18389 53 1 1 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.011 -0.098 18389 54 1 1 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.520 -4.345 18389 55 1 1 . 1 1 13 13 PHE H H 13 9.327 9.327 8.103 1.224 18389 56 1 1 . 1 1 14 14 GLU N N 14 113.122 113.122 117.296 -4.174 18389 57 1 1 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.515 0.534 18389 58 1 1 . 1 1 14 14 GLU C C 14 175.300 175.300 177.342 -2.042 18389 59 1 1 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.020 -5.039 18389 60 1 1 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.376 -4.382 18389 61 1 1 . 1 1 14 14 GLU H H 14 8.165 8.165 8.360 -0.195 18389 62 1 1 . 1 1 15 15 GLY N N 15 110.108 110.108 108.648 1.460 18389 63 1 1 . 1 1 15 15 GLY C C 15 171.609 171.609 173.730 -2.121 18389 64 1 1 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.811 -2.957 18389 65 1 1 . 1 1 15 15 GLY H H 15 8.117 8.117 7.828 0.289 18389 66 1 1 . 1 1 16 16 VAL N N 16 121.792 121.792 121.534 0.258 18389 67 1 1 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.338 -0.067 18389 68 1 1 . 1 1 16 16 VAL C C 16 173.203 173.203 175.909 -2.706 18389 69 1 1 . 1 1 16 16 VAL CA C 16 59.283 59.283 61.844 -2.561 18389 70 1 1 . 1 1 16 16 VAL CB C 16 30.201 30.201 33.372 -3.171 18389 71 1 1 . 1 1 16 16 VAL H H 16 8.190 8.190 8.188 0.002 18389 72 1 1 . 1 1 17 17 LEU N N 17 124.682 124.682 127.953 -3.271 18389 73 1 1 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.639 0.259 18389 74 1 1 . 1 1 17 17 LEU C C 17 174.685 174.685 177.069 -2.384 18389 75 1 1 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.257 -2.459 18389 76 1 1 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.328 -3.192 18389 77 1 1 . 1 1 17 17 LEU H H 17 8.500 8.500 8.651 -0.151 18389 78 1 1 . 1 1 18 18 ASN N N 18 127.589 127.589 124.113 3.476 18389 79 1 1 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.768 0.379 18389 80 1 1 . 1 1 18 18 ASN C C 18 171.583 171.583 175.465 -3.882 18389 81 1 1 . 1 1 18 18 ASN CA C 18 50.977 50.977 53.294 -2.317 18389 82 1 1 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.733 -1.591 18389 83 1 1 . 1 1 18 18 ASN H H 18 9.956 9.956 8.869 1.087 18389 84 1 1 . 1 1 19 19 TRP N N 19 119.913 119.913 120.729 -0.816 18389 85 1 1 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.024 0.034 18389 86 1 1 . 1 1 19 19 TRP C C 19 174.918 174.918 177.604 -2.686 18389 87 1 1 . 1 1 19 19 TRP CA C 19 55.376 55.376 57.247 -1.871 18389 88 1 1 . 1 1 19 19 TRP CB C 19 27.400 27.400 29.773 -2.373 18389 89 1 1 . 1 1 19 19 TRP H H 19 7.057 7.057 7.894 -0.837 18389 90 1 1 . 1 1 20 20 GLY N N 20 112.934 112.934 109.841 3.093 18389 91 1 1 . 1 1 20 20 GLY C C 20 171.436 171.436 172.645 -1.209 18389 92 1 1 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.732 -3.792 18389 93 1 1 . 1 1 20 20 GLY H H 20 9.622 9.622 8.971 0.651 18389 94 1 1 . 1 1 21 21 SER N N 21 114.752 114.752 115.220 -0.468 18389 95 1 1 . 1 1 21 21 SER HA H 21 5.686 5.686 5.582 0.104 18389 96 1 1 . 1 1 21 21 SER C C 21 170.314 170.314 173.432 -3.118 18389 97 1 1 . 1 1 21 21 SER CA C 21 55.911 55.911 57.133 -1.222 18389 98 1 1 . 1 1 21 21 SER CB C 21 64.070 64.070 67.189 -3.119 18389 99 1 1 . 1 1 21 21 SER H H 21 8.899 8.899 8.262 0.637 18389 100 1 1 . 1 1 22 22 TYR N N 22 118.001 118.001 120.028 -2.027 18389 101 1 1 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.979 0.321 18389 102 1 1 . 1 1 22 22 TYR C C 22 170.760 170.760 173.038 -2.278 18389 103 1 1 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.183 -3.533 18389 104 1 1 . 1 1 22 22 TYR CB C 22 37.824 37.824 39.792 -1.968 18389 105 1 1 . 1 1 22 22 TYR H H 22 8.807 8.807 8.553 0.254 18389 106 1 1 . 1 1 23 23 SER N N 23 109.826 109.826 115.694 -5.868 18389 107 1 1 . 1 1 23 23 SER HA H 23 4.912 4.912 5.264 -0.352 18389 108 1 1 . 1 1 23 23 SER C C 23 169.918 169.918 172.911 -2.993 18389 109 1 1 . 1 1 23 23 SER CA C 23 55.664 55.664 57.208 -1.544 18389 110 1 1 . 1 1 23 23 SER CB C 23 62.361 62.361 66.165 -3.804 18389 111 1 1 . 1 1 23 23 SER H H 23 8.435 8.435 8.407 0.028 18389 112 1 1 . 1 1 24 24 GLY N N 24 103.788 103.788 106.844 -3.056 18389 113 1 1 . 1 1 24 24 GLY C C 24 170.240 170.240 172.845 -2.605 18389 114 1 1 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.216 -2.449 18389 115 1 1 . 1 1 24 24 GLY H H 24 7.339 7.339 7.920 -0.581 18389 116 1 1 . 1 1 25 25 GLU N N 25 116.420 116.420 119.685 -3.265 18389 117 1 1 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.902 0.207 18389 118 1 1 . 1 1 25 25 GLU C C 25 173.683 173.683 176.973 -3.290 18389 119 1 1 . 1 1 25 25 GLU CA C 25 53.687 53.687 56.673 -2.986 18389 120 1 1 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.332 -3.186 18389 121 1 1 . 1 1 25 25 GLU H H 25 8.962 8.962 8.912 0.050 18389 122 1 1 . 1 1 26 26 GLY N N 26 106.660 106.660 102.649 4.011 18389 123 1 1 . 1 1 26 26 GLY C C 26 171.638 171.638 173.730 -2.092 18389 124 1 1 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.885 -1.712 18389 125 1 1 . 1 1 26 26 GLY H H 26 8.483 8.483 8.587 -0.104 18389 126 1 1 . 1 1 27 27 ALA N N 27 123.407 123.407 122.965 0.442 18389 127 1 1 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.094 0.553 18389 128 1 1 . 1 1 27 27 ALA C C 27 174.232 174.232 175.605 -1.373 18389 129 1 1 . 1 1 27 27 ALA CA C 27 49.563 49.563 52.000 -2.437 18389 130 1 1 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.348 -2.810 18389 131 1 1 . 1 1 27 27 ALA H H 27 7.182 7.182 7.277 -0.095 18389 132 1 1 . 1 1 28 28 LYS N N 28 117.590 117.590 118.212 -0.622 18389 133 1 1 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.627 0.265 18389 134 1 1 . 1 1 28 28 LYS C C 28 171.365 171.365 174.915 -3.550 18389 135 1 1 . 1 1 28 28 LYS CA C 28 52.419 52.419 54.952 -2.533 18389 136 1 1 . 1 1 28 28 LYS CB C 28 34.544 34.544 37.043 -2.499 18389 137 1 1 . 1 1 28 28 LYS H H 28 8.650 8.650 8.365 0.285 18389 138 1 1 . 1 1 29 29 VAL N N 29 118.148 118.148 120.174 -2.026 18389 139 1 1 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.343 0.898 18389 140 1 1 . 1 1 29 29 VAL C C 29 169.809 169.809 175.165 -5.356 18389 141 1 1 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.423 -3.340 18389 142 1 1 . 1 1 29 29 VAL CB C 29 31.475 31.475 34.767 -3.292 18389 143 1 1 . 1 1 29 29 VAL H H 29 8.327 8.327 8.377 -0.050 18389 144 1 1 . 1 1 30 30 SER N N 30 120.964 120.964 122.416 -1.452 18389 145 1 1 . 1 1 30 30 SER HA H 30 4.993 4.993 4.764 0.229 18389 146 1 1 . 1 1 30 30 SER C C 30 170.354 170.354 173.591 -3.237 18389 147 1 1 . 1 1 30 30 SER CA C 30 54.438 54.438 57.811 -3.373 18389 148 1 1 . 1 1 30 30 SER CB C 30 63.262 63.262 64.858 -1.596 18389 149 1 1 . 1 1 30 30 SER H H 30 8.797 8.797 9.043 -0.246 18389 150 1 1 . 1 1 31 31 THR N N 31 112.970 112.970 118.759 -5.789 18389 151 1 1 . 1 1 31 31 THR HA H 31 5.618 5.618 4.906 0.712 18389 152 1 1 . 1 1 31 31 THR C C 31 171.857 171.857 174.575 -2.718 18389 153 1 1 . 1 1 31 31 THR CA C 31 56.212 56.212 60.700 -4.488 18389 154 1 1 . 1 1 31 31 THR CB C 31 69.719 69.719 69.434 0.285 18389 155 1 1 . 1 1 31 31 THR H H 31 8.384 8.384 8.575 -0.191 18389 156 1 1 . 1 1 32 32 LYS N N 32 119.710 119.710 125.058 -5.348 18389 157 1 1 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.638 0.088 18389 158 1 1 . 1 1 32 32 LYS C C 32 171.734 171.734 174.569 -2.835 18389 159 1 1 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.166 -1.193 18389 160 1 1 . 1 1 32 32 LYS CB C 32 34.094 34.094 35.580 -1.486 18389 161 1 1 . 1 1 32 32 LYS H H 32 8.530 8.530 8.994 -0.464 18389 162 1 1 . 1 1 33 33 ILE N N 33 124.276 124.276 123.301 0.975 18389 163 1 1 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.430 0.544 18389 164 1 1 . 1 1 33 33 ILE C C 33 173.578 173.578 176.755 -3.177 18389 165 1 1 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.893 -3.454 18389 166 1 1 . 1 1 33 33 ILE CB C 33 33.463 33.463 36.679 -3.216 18389 167 1 1 . 1 1 33 33 ILE H H 33 8.669 8.669 8.599 0.070 18389 168 1 1 . 1 1 34 34 VAL N N 34 121.698 121.698 123.664 -1.966 18389 169 1 1 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.546 0.321 18389 170 1 1 . 1 1 34 34 VAL C C 34 172.702 172.702 175.120 -2.418 18389 171 1 1 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.711 -3.052 18389 172 1 1 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.599 -0.690 18389 173 1 1 . 1 1 34 34 VAL H H 34 8.463 8.463 8.230 0.233 18389 174 1 1 . 1 1 35 35 SER N N 35 115.704 115.704 115.854 -0.150 18389 175 1 1 . 1 1 35 35 SER HA H 35 4.590 4.590 4.691 -0.101 18389 176 1 1 . 1 1 35 35 SER CA C 35 58.345 58.345 58.983 -0.637 18389 177 1 1 . 1 1 35 35 SER CB C 35 60.619 60.619 63.603 -2.984 18389 178 1 1 . 1 1 35 35 SER H H 35 8.271 8.271 8.357 -0.086 18389 179 1 1 . 1 1 36 36 GLY N N 36 113.970 113.970 110.860 3.110 18389 180 1 1 . 1 1 36 36 GLY C C 36 170.257 170.257 173.343 -3.086 18389 181 1 1 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.026 -3.328 18389 182 1 1 . 1 1 36 36 GLY H H 36 9.267 9.267 8.335 0.932 18389 183 1 1 . 1 1 37 37 LYS N N 37 129.227 129.227 118.209 11.018 18389 184 1 1 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.248 -0.893 18389 185 1 1 . 1 1 37 37 LYS C C 37 174.912 174.912 176.912 -2.000 18389 186 1 1 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.501 -2.946 18389 187 1 1 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.822 -3.413 18389 188 1 1 . 1 1 37 37 LYS H H 37 8.484 8.484 8.679 -0.195 18389 189 1 1 . 1 1 38 38 THR N N 38 109.924 109.924 111.792 -1.868 18389 190 1 1 . 1 1 38 38 THR HA H 38 4.398 4.398 4.509 -0.111 18389 191 1 1 . 1 1 38 38 THR C C 38 171.818 171.818 174.002 -2.184 18389 192 1 1 . 1 1 38 38 THR CA C 38 57.223 57.223 61.715 -4.492 18389 193 1 1 . 1 1 38 38 THR CB C 38 67.805 67.805 70.483 -2.678 18389 194 1 1 . 1 1 38 38 THR H H 38 7.549 7.549 8.197 -0.648 18389 195 1 1 . 1 1 40 40 ASN N N 40 129.674 129.674 122.707 6.967 18389 196 1 1 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.953 0.570 18389 197 1 1 . 1 1 40 40 ASN C C 40 173.717 173.717 174.781 -1.064 18389 198 1 1 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.427 -2.105 18389 199 1 1 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.180 -2.992 18389 200 1 1 . 1 1 40 40 ASN H H 40 10.958 10.958 8.765 2.193 18389 201 1 1 . 1 1 41 41 GLY N N 41 111.261 111.261 106.319 4.942 18389 202 1 1 . 1 1 41 41 GLY C C 41 166.652 166.652 172.098 -5.446 18389 203 1 1 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.253 -1.542 18389 204 1 1 . 1 1 41 41 GLY H H 41 9.674 9.674 8.724 0.950 18389 205 1 1 . 1 1 42 42 MET N N 42 119.165 119.165 119.019 0.146 18389 206 1 1 . 1 1 42 42 MET HA H 42 4.849 4.849 4.904 -0.055 18389 207 1 1 . 1 1 42 42 MET C C 42 171.154 171.154 173.349 -2.195 18389 208 1 1 . 1 1 42 42 MET CA C 42 51.503 51.503 54.357 -2.854 18389 209 1 1 . 1 1 42 42 MET CB C 42 33.293 33.293 36.129 -2.836 18389 210 1 1 . 1 1 42 42 MET H H 42 7.550 7.550 8.381 -0.831 18389 211 1 1 . 1 1 43 43 GLU N N 43 128.221 128.221 126.219 2.002 18389 212 1 1 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.112 -0.246 18389 213 1 1 . 1 1 43 43 GLU C C 43 172.612 172.612 174.086 -1.474 18389 214 1 1 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.238 -2.559 18389 215 1 1 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.789 -3.393 18389 216 1 1 . 1 1 43 43 GLU H H 43 9.355 9.355 9.090 0.265 18389 217 1 1 . 1 1 44 44 VAL N N 44 131.011 131.011 126.034 4.977 18389 218 1 1 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.915 -0.553 18389 219 1 1 . 1 1 44 44 VAL C C 44 171.752 171.752 173.731 -1.979 18389 220 1 1 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.691 -1.356 18389 221 1 1 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.739 -5.790 18389 222 1 1 . 1 1 44 44 VAL H H 44 9.002 9.002 9.168 -0.166 18389 223 1 1 . 1 1 45 45 SER N N 45 120.764 120.764 124.986 -4.222 18389 224 1 1 . 1 1 45 45 SER HA H 45 4.975 4.975 5.403 -0.428 18389 225 1 1 . 1 1 45 45 SER C C 45 170.500 170.500 173.261 -2.761 18389 226 1 1 . 1 1 45 45 SER CA C 45 53.547 53.547 57.418 -3.871 18389 227 1 1 . 1 1 45 45 SER CB C 45 61.650 61.650 65.024 -3.374 18389 228 1 1 . 1 1 45 45 SER H H 45 8.511 8.511 8.831 -0.320 18389 229 1 1 . 1 1 46 46 TYR N N 46 123.478 123.478 120.969 2.509 18389 230 1 1 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.144 0.131 18389 231 1 1 . 1 1 46 46 TYR C C 46 171.644 171.644 175.343 -3.699 18389 232 1 1 . 1 1 46 46 TYR CA C 46 52.235 52.235 57.231 -4.996 18389 233 1 1 . 1 1 46 46 TYR CB C 46 37.465 37.465 43.879 -6.414 18389 234 1 1 . 1 1 46 46 TYR H H 46 8.511 8.511 9.415 -0.904 18389 235 1 1 . 1 1 47 47 THR N N 47 118.641 118.641 118.565 0.076 18389 236 1 1 . 1 1 47 47 THR HA H 47 4.793 4.793 4.428 0.365 18389 237 1 1 . 1 1 47 47 THR C C 47 171.614 171.614 173.627 -2.013 18389 238 1 1 . 1 1 47 47 THR CA C 47 58.267 58.267 61.657 -3.390 18389 239 1 1 . 1 1 47 47 THR CB C 47 68.820 68.820 70.027 -1.207 18389 240 1 1 . 1 1 47 47 THR H H 47 8.935 8.935 8.350 0.585 18389 241 1 1 . 1 1 48 48 GLY N N 48 112.467 112.467 111.445 1.022 18389 242 1 1 . 1 1 48 48 GLY C C 48 170.521 170.521 171.968 -1.447 18389 243 1 1 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.517 -1.441 18389 244 1 1 . 1 1 48 48 GLY H H 48 7.723 7.723 7.881 -0.158 18389 245 1 1 . 1 1 49 49 THR N N 49 106.823 106.823 109.670 -2.847 18389 246 1 1 . 1 1 49 49 THR HA H 49 4.913 4.913 4.323 0.590 18389 247 1 1 . 1 1 49 49 THR C C 49 172.529 172.529 174.315 -1.786 18389 248 1 1 . 1 1 49 49 THR CA C 49 57.385 57.385 59.066 -1.681 18389 249 1 1 . 1 1 49 49 THR CB C 49 69.609 69.609 71.802 -2.193 18389 250 1 1 . 1 1 49 49 THR H H 49 8.019 8.019 6.377 1.642 18389 251 1 1 . 1 1 51 51 ASP N N 51 118.095 118.095 120.904 -2.809 18389 252 1 1 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.764 0.240 18389 253 1 1 . 1 1 51 51 ASP C C 51 172.913 172.913 176.764 -3.851 18389 254 1 1 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.792 -1.547 18389 255 1 1 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.241 -2.471 18389 256 1 1 . 1 1 51 51 ASP H H 51 8.613 8.613 8.215 0.398 18389 257 1 1 . 1 1 52 52 GLY N N 52 107.075 107.075 107.723 -0.648 18389 258 1 1 . 1 1 52 52 GLY C C 52 169.748 169.748 173.034 -3.286 18389 259 1 1 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.872 -1.966 18389 260 1 1 . 1 1 52 52 GLY H H 52 7.651 7.651 7.893 -0.242 18389 261 1 1 . 1 1 53 53 TYR N N 53 112.556 112.556 114.044 -1.488 18389 262 1 1 . 1 1 53 53 TYR HA H 53 3.621 3.621 3.900 -0.279 18389 263 1 1 . 1 1 53 53 TYR C C 53 169.219 169.219 172.919 -3.700 18389 264 1 1 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.025 -3.919 18389 265 1 1 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.264 -1.234 18389 266 1 1 . 1 1 53 53 TYR H H 53 6.918 6.918 7.869 -0.951 18389 267 1 1 . 1 1 54 54 TRP N N 54 112.748 112.748 119.431 -6.683 18389 268 1 1 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.610 -0.231 18389 269 1 1 . 1 1 54 54 TRP C C 54 171.085 171.085 175.242 -4.157 18389 270 1 1 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.694 -3.434 18389 271 1 1 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.794 -2.819 18389 272 1 1 . 1 1 54 54 TRP H H 54 6.406 6.406 8.042 -1.636 18389 273 1 1 . 1 1 55 55 GLY N N 55 108.552 108.552 111.897 -3.345 18389 274 1 1 . 1 1 55 55 GLY C C 55 168.023 168.023 171.335 -3.312 18389 275 1 1 . 1 1 55 55 GLY CA C 55 43.448 43.448 44.775 -1.327 18389 276 1 1 . 1 1 55 55 GLY H H 55 8.689 8.689 8.768 -0.078 18389 277 1 1 . 1 1 56 56 THR N N 56 113.376 113.376 115.272 -1.896 18389 278 1 1 . 1 1 56 56 THR HA H 56 5.868 5.868 4.817 1.051 18389 279 1 1 . 1 1 56 56 THR C C 56 170.376 170.376 173.309 -2.933 18389 280 1 1 . 1 1 56 56 THR CA C 56 57.238 57.238 60.728 -3.490 18389 281 1 1 . 1 1 56 56 THR CB C 56 69.053 69.053 70.751 -1.698 18389 282 1 1 . 1 1 56 56 THR H H 56 9.518 9.518 8.346 1.172 18389 283 1 1 . 1 1 57 57 VAL N N 57 123.361 123.361 126.349 -2.988 18389 284 1 1 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.780 0.673 18389 285 1 1 . 1 1 57 57 VAL C C 57 169.082 169.082 173.731 -4.649 18389 286 1 1 . 1 1 57 57 VAL CA C 57 56.049 56.049 60.691 -4.641 18389 287 1 1 . 1 1 57 57 VAL CB C 57 33.347 33.347 36.230 -2.883 18389 288 1 1 . 1 1 57 57 VAL H H 57 8.956 8.956 8.418 0.538 18389 289 1 1 . 1 1 58 58 TYR N N 58 131.224 131.224 124.891 6.333 18389 290 1 1 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.401 0.175 18389 291 1 1 . 1 1 58 58 TYR C C 58 172.050 172.050 172.988 -0.938 18389 292 1 1 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.457 -4.875 18389 293 1 1 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.424 -6.463 18389 294 1 1 . 1 1 58 58 TYR H H 58 8.641 8.641 8.823 -0.182 18389 295 1 1 . 1 1 59 59 SER N N 59 123.126 123.126 120.768 2.358 18389 296 1 1 . 1 1 59 59 SER HA H 59 4.304 4.304 4.455 -0.151 18389 297 1 1 . 1 1 59 59 SER C C 59 170.891 170.891 173.056 -2.165 18389 298 1 1 . 1 1 59 59 SER CA C 59 55.452 55.452 56.472 -1.020 18389 299 1 1 . 1 1 59 59 SER CB C 59 60.048 60.048 64.071 -4.023 18389 300 1 1 . 1 1 59 59 SER H H 59 8.217 8.217 7.929 0.288 18389 301 1 1 . 1 1 60 60 LEU N N 60 126.809 126.809 129.100 -2.291 18389 302 1 1 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.474 -0.221 18389 303 1 1 . 1 1 60 60 LEU C C 60 173.994 173.994 176.465 -2.471 18389 304 1 1 . 1 1 60 60 LEU CA C 60 50.050 50.050 51.962 -1.912 18389 305 1 1 . 1 1 60 60 LEU CB C 60 39.357 39.357 41.481 -2.124 18389 306 1 1 . 1 1 60 60 LEU H H 60 7.838 7.838 8.482 -0.644 18389 307 1 1 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.399 0.174 18389 308 1 1 . 1 1 61 61 PRO C C 61 173.514 173.514 176.069 -2.555 18389 309 1 1 . 1 1 61 61 PRO CA C 61 61.252 61.252 63.630 -2.378 18389 310 1 1 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.343 -3.027 18389 311 1 1 . 1 1 62 62 ASP N N 62 115.943 115.943 119.471 -3.528 18389 312 1 1 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.877 -0.038 18389 313 1 1 . 1 1 62 62 ASP C C 62 172.949 172.949 175.952 -3.003 18389 314 1 1 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.941 -3.235 18389 315 1 1 . 1 1 62 62 ASP CB C 62 40.031 40.031 43.510 -3.479 18389 316 1 1 . 1 1 62 62 ASP H H 62 7.018 7.018 7.883 -0.865 18389 317 1 1 . 1 1 63 63 GLY N N 63 112.680 112.680 110.015 2.665 18389 318 1 1 . 1 1 63 63 GLY C C 63 170.273 170.273 173.355 -3.082 18389 319 1 1 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.862 -1.861 18389 320 1 1 . 1 1 63 63 GLY H H 63 8.417 8.417 8.776 -0.359 18389 321 1 1 . 1 1 64 64 ASP N N 64 115.221 115.221 121.525 -6.304 18389 322 1 1 . 1 1 64 64 ASP HA H 64 5.293 5.293 5.061 0.232 18389 323 1 1 . 1 1 64 64 ASP C C 64 174.354 174.354 175.885 -1.531 18389 324 1 1 . 1 1 64 64 ASP CA C 64 50.267 50.267 53.138 -2.871 18389 325 1 1 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.135 -3.795 18389 326 1 1 . 1 1 64 64 ASP H H 64 7.766 7.766 8.563 -0.797 18389 327 1 1 . 1 1 65 65 TRP N N 65 130.747 130.747 119.708 11.039 18389 328 1 1 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.269 0.162 18389 329 1 1 . 1 1 65 65 TRP C C 65 173.930 173.930 176.714 -2.784 18389 330 1 1 . 1 1 65 65 TRP CA C 65 52.044 52.044 55.519 -3.474 18389 331 1 1 . 1 1 65 65 TRP CB C 65 26.607 26.607 27.801 -1.194 18389 332 1 1 . 1 1 65 65 TRP H H 65 9.687 9.687 7.772 1.915 18389 333 1 1 . 1 1 66 66 SER N N 66 114.151 114.151 117.971 -3.820 18389 334 1 1 . 1 1 66 66 SER HA H 66 4.041 4.041 3.985 0.056 18389 335 1 1 . 1 1 66 66 SER CA C 66 59.812 59.812 61.960 -2.148 18389 336 1 1 . 1 1 66 66 SER CB C 66 60.892 60.892 62.705 -1.813 18389 337 1 1 . 1 1 66 66 SER H H 66 8.568 8.568 8.369 0.199 18389 338 1 1 . 1 1 70 70 LYS N N 70 117.090 117.090 117.134 -0.044 18389 339 1 1 . 1 1 70 70 LYS HA H 70 4.398 4.398 5.198 -0.800 18389 340 1 1 . 1 1 70 70 LYS C C 70 170.030 170.030 174.994 -4.964 18389 341 1 1 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.795 -3.936 18389 342 1 1 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.825 -1.869 18389 343 1 1 . 1 1 70 70 LYS H H 70 8.308 8.308 8.069 0.239 18389 344 1 1 . 1 1 71 71 ILE N N 71 118.764 118.764 121.517 -2.753 18389 345 1 1 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.611 0.603 18389 346 1 1 . 1 1 71 71 ILE C C 71 169.396 169.396 174.442 -5.046 18389 347 1 1 . 1 1 71 71 ILE CA C 71 55.333 55.333 60.218 -4.885 18389 348 1 1 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.624 -0.978 18389 349 1 1 . 1 1 71 71 ILE H H 71 7.816 7.816 8.791 -0.975 18389 350 1 1 . 1 1 72 72 SER N N 72 120.952 120.952 117.975 2.977 18389 351 1 1 . 1 1 72 72 SER HA H 72 5.852 5.852 4.980 0.872 18389 352 1 1 . 1 1 72 72 SER C C 72 170.208 170.208 172.842 -2.634 18389 353 1 1 . 1 1 72 72 SER CA C 72 52.457 52.457 56.367 -3.909 18389 354 1 1 . 1 1 72 72 SER CB C 72 64.125 64.125 64.984 -0.859 18389 355 1 1 . 1 1 72 72 SER H H 72 9.237 9.237 8.418 0.819 18389 356 1 1 . 1 1 73 73 PHE N N 73 117.161 117.161 120.625 -3.464 18389 357 1 1 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.510 -0.139 18389 358 1 1 . 1 1 73 73 PHE C C 73 170.381 170.381 173.828 -3.447 18389 359 1 1 . 1 1 73 73 PHE CA C 73 53.797 53.797 54.605 -0.808 18389 360 1 1 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.618 -3.046 18389 361 1 1 . 1 1 73 73 PHE H H 73 8.093 8.093 7.751 0.342 18389 362 1 1 . 1 1 74 74 ASP N N 74 120.210 120.210 120.934 -0.724 18389 363 1 1 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.429 0.725 18389 364 1 1 . 1 1 74 74 ASP C C 74 173.653 173.653 174.430 -0.777 18389 365 1 1 . 1 1 74 74 ASP CA C 74 50.896 50.896 54.153 -3.257 18389 366 1 1 . 1 1 74 74 ASP CB C 74 41.487 41.487 42.154 -0.666 18389 367 1 1 . 1 1 74 74 ASP H H 74 8.993 8.993 8.355 0.638 18389 368 1 1 . 1 1 75 75 ILE N N 75 121.051 121.051 124.083 -3.032 18389 369 1 1 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.379 0.874 18389 370 1 1 . 1 1 75 75 ILE C C 75 171.229 171.229 173.228 -1.999 18389 371 1 1 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.150 -1.629 18389 372 1 1 . 1 1 75 75 ILE CB C 75 41.521 41.521 42.327 -0.806 18389 373 1 1 . 1 1 75 75 ILE H H 75 9.681 9.681 7.926 1.755 18389 374 1 1 . 1 1 76 76 LYS N N 76 124.693 124.693 125.215 -0.522 18389 375 1 1 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.301 -0.470 18389 376 1 1 . 1 1 76 76 LYS C C 76 172.283 172.283 175.081 -2.798 18389 377 1 1 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.233 -0.831 18389 378 1 1 . 1 1 76 76 LYS CB C 76 32.722 32.722 36.648 -3.926 18389 379 1 1 . 1 1 76 76 LYS H H 76 8.454 8.454 9.090 -0.636 18389 380 1 1 . 1 1 77 77 SER N N 77 118.916 118.916 116.735 2.181 18389 381 1 1 . 1 1 77 77 SER HA H 77 4.816 4.816 4.168 0.648 18389 382 1 1 . 1 1 77 77 SER C C 77 172.741 172.741 173.609 -0.868 18389 383 1 1 . 1 1 77 77 SER CA C 77 55.341 55.341 59.041 -3.700 18389 384 1 1 . 1 1 77 77 SER CB C 77 61.792 61.792 63.620 -1.828 18389 385 1 1 . 1 1 77 77 SER H H 77 9.236 9.236 8.815 0.421 18389 386 1 1 . 1 1 78 78 VAL N N 78 120.723 120.723 126.955 -6.232 18389 387 1 1 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.254 0.080 18389 388 1 1 . 1 1 78 78 VAL C C 78 172.941 172.941 174.443 -1.502 18389 389 1 1 . 1 1 78 78 VAL CA C 78 59.795 59.795 59.958 -0.163 18389 390 1 1 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.867 -2.599 18389 391 1 1 . 1 1 78 78 VAL H H 78 8.132 8.132 8.379 -0.247 18389 392 1 1 . 1 1 79 79 ASP N N 79 119.240 119.240 119.059 0.181 18389 393 1 1 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.445 0.296 18389 394 1 1 . 1 1 79 79 ASP C C 79 174.199 174.199 176.761 -2.562 18389 395 1 1 . 1 1 79 79 ASP CA C 79 51.112 51.112 53.932 -2.820 18389 396 1 1 . 1 1 79 79 ASP CB C 79 39.073 39.073 40.730 -1.657 18389 397 1 1 . 1 1 79 79 ASP H H 79 8.190 8.190 7.833 0.356 18389 398 1 1 . 1 1 80 80 GLY N N 80 108.323 108.323 106.560 1.763 18389 399 1 1 . 1 1 80 80 GLY C C 80 171.858 171.858 174.168 -2.310 18389 400 1 1 . 1 1 80 80 GLY CA C 80 43.103 43.103 44.860 -1.757 18389 401 1 1 . 1 1 80 80 GLY H H 80 8.275 8.275 8.307 -0.032 18389 402 1 1 . 1 1 81 81 SER N N 81 116.291 116.291 116.316 -0.025 18389 403 1 1 . 1 1 81 81 SER HA H 81 4.588 4.588 4.633 -0.045 18389 404 1 1 . 1 1 81 81 SER C C 81 171.588 171.588 172.298 -0.710 18389 405 1 1 . 1 1 81 81 SER CA C 81 55.552 55.552 57.585 -2.033 18389 406 1 1 . 1 1 81 81 SER CB C 81 61.910 61.910 65.564 -3.654 18389 407 1 1 . 1 1 81 81 SER H H 81 8.201 8.201 8.422 -0.221 18389 408 1 1 . 1 1 82 82 ALA N N 82 128.019 128.019 124.289 3.730 18389 409 1 1 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.492 0.470 18389 410 1 1 . 1 1 82 82 ALA C C 82 173.332 173.332 175.730 -2.398 18389 411 1 1 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.423 -2.344 18389 412 1 1 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.672 -3.102 18389 413 1 1 . 1 1 82 82 ALA H H 82 8.613 8.613 8.461 0.152 18389 414 1 1 . 1 1 83 83 ASN N N 83 119.651 119.651 123.169 -3.518 18389 415 1 1 . 1 1 83 83 ASN HA H 83 5.062 5.062 5.113 -0.051 18389 416 1 1 . 1 1 83 83 ASN C C 83 170.848 170.848 174.985 -4.137 18389 417 1 1 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.783 -2.023 18389 418 1 1 . 1 1 83 83 ASN CB C 83 38.789 38.789 41.770 -2.981 18389 419 1 1 . 1 1 83 83 ASN H H 83 8.153 8.153 8.329 -0.176 18389 420 1 1 . 1 1 84 84 GLU N N 84 127.150 127.150 120.968 6.182 18389 421 1 1 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.646 0.066 18389 422 1 1 . 1 1 84 84 GLU C C 84 171.647 171.647 174.853 -3.206 18389 423 1 1 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.718 -0.946 18389 424 1 1 . 1 1 84 84 GLU CB C 84 28.701 28.701 31.686 -2.985 18389 425 1 1 . 1 1 84 84 GLU H H 84 8.122 8.122 8.654 -0.532 18389 426 1 1 . 1 1 85 85 ILE N N 85 117.590 117.590 112.245 5.345 18389 427 1 1 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.525 0.108 18389 428 1 1 . 1 1 85 85 ILE C C 85 171.902 171.902 174.097 -2.195 18389 429 1 1 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.355 -1.324 18389 430 1 1 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.170 -1.918 18389 431 1 1 . 1 1 85 85 ILE H H 85 8.910 8.910 8.810 0.100 18389 432 1 1 . 1 1 86 86 ARG N N 86 116.697 116.697 123.129 -6.432 18389 433 1 1 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.796 0.600 18389 434 1 1 . 1 1 86 86 ARG C C 86 171.787 171.787 174.898 -3.111 18389 435 1 1 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.002 -0.886 18389 436 1 1 . 1 1 86 86 ARG CB C 86 32.062 32.062 30.276 1.786 18389 437 1 1 . 1 1 86 86 ARG H H 86 9.149 9.149 8.096 1.053 18389 438 1 1 . 1 1 87 87 PHE N N 87 123.607 123.607 118.474 5.133 18389 439 1 1 . 1 1 87 87 PHE HA H 87 5.488 5.488 4.438 1.050 18389 440 1 1 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.995 -3.178 18389 441 1 1 . 1 1 87 87 PHE CB C 87 40.112 40.112 40.611 -0.499 18389 442 1 1 . 1 1 87 87 PHE H H 87 9.235 9.235 7.404 1.831 18389 443 1 1 . 1 1 88 88 MET N N 88 129.893 129.893 120.227 9.666 18389 444 1 1 . 1 1 88 88 MET HA H 88 5.836 5.836 5.663 0.173 18389 445 1 1 . 1 1 88 88 MET C C 88 170.768 170.768 174.455 -3.687 18389 446 1 1 . 1 1 88 88 MET CA C 88 51.118 51.118 54.508 -3.390 18389 447 1 1 . 1 1 88 88 MET CB C 88 37.224 37.224 37.353 -0.129 18389 448 1 1 . 1 1 88 88 MET H H 88 8.868 8.868 9.395 -0.527 18389 449 1 1 . 1 1 89 89 ILE N N 89 124.630 124.630 122.613 2.017 18389 450 1 1 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.269 -0.731 18389 451 1 1 . 1 1 89 89 ILE C C 89 171.047 171.047 173.956 -2.909 18389 452 1 1 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.915 -1.944 18389 453 1 1 . 1 1 89 89 ILE CB C 89 38.920 38.920 43.177 -4.257 18389 454 1 1 . 1 1 89 89 ILE H H 89 9.258 9.258 9.393 -0.135 18389 455 1 1 . 1 1 90 90 ALA N N 90 128.743 128.743 127.819 0.924 18389 456 1 1 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.568 0.098 18389 457 1 1 . 1 1 90 90 ALA C C 90 176.041 176.041 176.204 -0.163 18389 458 1 1 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.654 -2.833 18389 459 1 1 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.945 -3.614 18389 460 1 1 . 1 1 90 90 ALA H H 90 8.749 8.749 9.264 -0.515 18389 461 1 1 . 1 1 91 91 GLU N N 91 121.616 121.616 123.888 -2.272 18389 462 1 1 . 1 1 91 91 GLU HA H 91 4.718 4.718 5.020 -0.302 18389 463 1 1 . 1 1 91 91 GLU C C 91 174.217 174.217 177.079 -2.862 18389 464 1 1 . 1 1 91 91 GLU CA C 91 53.143 53.143 54.970 -1.827 18389 465 1 1 . 1 1 91 91 GLU CB C 91 29.847 29.847 32.549 -2.702 18389 466 1 1 . 1 1 91 91 GLU H H 91 8.749 8.749 9.047 -0.298 18389 467 1 1 . 1 1 92 92 LYS N N 92 117.975 117.975 123.004 -5.029 18389 468 1 1 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.303 0.066 18389 469 1 1 . 1 1 92 92 LYS C C 92 174.743 174.743 176.992 -2.249 18389 470 1 1 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.583 -2.223 18389 471 1 1 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.163 -2.507 18389 472 1 1 . 1 1 92 92 LYS H H 92 8.014 8.014 8.613 -0.599 18389 473 1 1 . 1 1 93 93 SER N N 93 115.092 115.092 117.568 -2.476 18389 474 1 1 . 1 1 93 93 SER HA H 93 4.215 4.215 4.329 -0.114 18389 475 1 1 . 1 1 93 93 SER C C 93 174.964 174.964 175.810 -0.846 18389 476 1 1 . 1 1 93 93 SER CA C 93 53.874 53.874 58.699 -4.825 18389 477 1 1 . 1 1 93 93 SER CB C 93 61.736 61.736 63.707 -1.971 18389 478 1 1 . 1 1 93 93 SER H H 93 8.083 8.083 8.799 -0.716 18389 479 1 1 . 1 1 94 94 ILE N N 94 121.880 121.880 123.036 -1.156 18389 480 1 1 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.257 0.129 18389 481 1 1 . 1 1 94 94 ILE C C 94 174.020 174.020 176.086 -2.066 18389 482 1 1 . 1 1 94 94 ILE CA C 94 60.345 60.345 61.944 -1.599 18389 483 1 1 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.123 -2.122 18389 484 1 1 . 1 1 94 94 ILE H H 94 9.150 9.150 8.617 0.533 18389 485 1 1 . 1 1 95 95 ASN N N 95 117.349 117.349 119.606 -2.257 18389 486 1 1 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.762 0.293 18389 487 1 1 . 1 1 95 95 ASN C C 95 173.659 173.659 175.860 -2.201 18389 488 1 1 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.920 -3.533 18389 489 1 1 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.620 -1.954 18389 490 1 1 . 1 1 95 95 ASN H H 95 8.163 8.163 7.919 0.244 18389 491 1 1 . 1 1 96 96 GLY N N 96 106.957 106.957 106.688 0.269 18389 492 1 1 . 1 1 96 96 GLY C C 96 170.704 170.704 173.864 -3.160 18389 493 1 1 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.614 -2.295 18389 494 1 1 . 1 1 96 96 GLY H H 96 7.530 7.530 8.323 -0.793 18389 495 1 1 . 1 1 97 97 VAL N N 97 119.393 119.393 119.879 -0.486 18389 496 1 1 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.337 0.017 18389 497 1 1 . 1 1 97 97 VAL C C 97 173.622 173.622 176.234 -2.612 18389 498 1 1 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.442 -2.300 18389 499 1 1 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.824 -3.053 18389 500 1 1 . 1 1 97 97 VAL H H 97 7.650 7.650 7.569 0.081 18389 501 1 1 . 1 1 98 98 GLY N N 98 115.075 115.075 115.879 -0.804 18389 502 1 1 . 1 1 98 98 GLY C C 98 170.065 170.065 173.443 -3.378 18389 503 1 1 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.299 -2.560 18389 504 1 1 . 1 1 98 98 GLY H H 98 8.712 8.712 8.692 0.020 18389 505 1 1 . 1 1 99 99 ASP N N 99 119.064 119.064 122.656 -3.592 18389 506 1 1 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.834 -0.159 18389 507 1 1 . 1 1 99 99 ASP C C 99 172.502 172.502 176.470 -3.968 18389 508 1 1 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.484 -2.903 18389 509 1 1 . 1 1 99 99 ASP CB C 99 39.195 39.195 42.678 -3.483 18389 510 1 1 . 1 1 99 99 ASP H H 99 8.746 8.746 8.218 0.528 18389 511 1 1 . 1 1 100 100 GLY N N 100 109.333 109.333 106.406 2.927 18389 512 1 1 . 1 1 100 100 GLY C C 100 167.638 167.638 173.212 -5.574 18389 513 1 1 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.337 -5.228 18389 514 1 1 . 1 1 100 100 GLY H H 100 8.285 8.285 8.803 -0.518 18389 515 1 1 . 1 1 101 101 GLU N N 101 120.835 120.835 119.504 1.331 18389 516 1 1 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.845 -0.118 18389 517 1 1 . 1 1 101 101 GLU C C 101 173.652 173.652 173.985 -0.333 18389 518 1 1 . 1 1 101 101 GLU CA C 101 55.449 55.449 55.407 0.042 18389 519 1 1 . 1 1 101 101 GLU CB C 101 31.014 31.014 33.504 -2.490 18389 520 1 1 . 1 1 101 101 GLU H H 101 8.339 8.339 7.510 0.829 18389 521 1 1 . 1 1 102 102 HIS N N 102 126.597 126.597 121.095 5.502 18389 522 1 1 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.375 0.031 18389 523 1 1 . 1 1 102 102 HIS C C 102 174.479 174.479 174.313 0.166 18389 524 1 1 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.526 -1.614 18389 525 1 1 . 1 1 102 102 HIS CB C 102 33.756 33.756 32.806 0.950 18389 526 1 1 . 1 1 102 102 HIS H H 102 10.029 10.029 8.912 1.117 18389 527 1 1 . 1 1 103 103 TRP N N 103 125.616 125.616 123.669 1.947 18389 528 1 1 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.450 -0.419 18389 529 1 1 . 1 1 103 103 TRP C C 103 173.236 173.236 174.647 -1.411 18389 530 1 1 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.485 -1.652 18389 531 1 1 . 1 1 103 103 TRP CB C 103 29.190 29.190 33.463 -4.273 18389 532 1 1 . 1 1 103 103 TRP H H 103 9.242 9.242 9.402 -0.160 18389 533 1 1 . 1 1 104 104 VAL N N 104 114.086 114.086 114.894 -0.808 18389 534 1 1 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.266 0.867 18389 535 1 1 . 1 1 104 104 VAL C C 104 173.194 173.194 174.132 -0.938 18389 536 1 1 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.167 -1.838 18389 537 1 1 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.801 -0.358 18389 538 1 1 . 1 1 104 104 VAL H H 104 10.273 10.273 9.350 0.923 18389 539 1 1 . 1 1 105 105 TYR N N 105 123.278 123.278 121.939 1.339 18389 540 1 1 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.422 0.238 18389 541 1 1 . 1 1 105 105 TYR C C 105 172.030 172.030 175.623 -3.593 18389 542 1 1 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.772 -1.050 18389 543 1 1 . 1 1 105 105 TYR CB C 105 40.973 40.973 40.582 0.391 18389 544 1 1 . 1 1 105 105 TYR H H 105 9.219 9.219 8.819 0.400 18389 545 1 1 . 1 1 106 106 SER N N 106 123.619 123.619 115.386 8.233 18389 546 1 1 . 1 1 106 106 SER HA H 106 5.226 5.226 5.291 -0.065 18389 547 1 1 . 1 1 106 106 SER C C 106 170.291 170.291 173.247 -2.956 18389 548 1 1 . 1 1 106 106 SER CA C 106 56.800 56.800 57.762 -0.962 18389 549 1 1 . 1 1 106 106 SER CB C 106 61.265 61.265 64.282 -3.018 18389 550 1 1 . 1 1 106 106 SER H H 106 7.768 7.768 8.749 -0.981 18389 551 1 1 . 1 1 107 107 ILE N N 107 120.192 120.192 120.720 -0.528 18389 552 1 1 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.730 0.029 18389 553 1 1 . 1 1 107 107 ILE C C 107 171.471 171.471 173.679 -2.208 18389 554 1 1 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.565 -3.554 18389 555 1 1 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.928 -2.169 18389 556 1 1 . 1 1 107 107 ILE H H 107 8.942 8.942 8.943 -0.001 18389 557 1 1 . 1 1 108 108 THR N N 108 118.723 118.723 116.442 2.281 18389 558 1 1 . 1 1 108 108 THR HA H 108 5.017 5.017 4.832 0.185 18389 559 1 1 . 1 1 108 108 THR C C 108 170.359 170.359 172.669 -2.310 18389 560 1 1 . 1 1 108 108 THR CA C 108 56.686 56.686 58.690 -2.004 18389 561 1 1 . 1 1 108 108 THR CB C 108 67.488 67.488 70.181 -2.693 18389 562 1 1 . 1 1 108 108 THR H H 108 8.718 8.718 8.372 0.346 18389 563 1 1 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.797 -0.387 18389 564 1 1 . 1 1 109 109 PRO C C 109 171.443 171.443 175.465 -4.022 18389 565 1 1 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.892 -3.068 18389 566 1 1 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.510 -3.532 18389 567 1 1 . 1 1 110 110 ASP N N 110 122.785 122.785 115.702 7.083 18389 568 1 1 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.862 0.286 18389 569 1 1 . 1 1 110 110 ASP C C 110 174.113 174.113 177.032 -2.919 18389 570 1 1 . 1 1 110 110 ASP CA C 110 50.056 50.056 52.901 -2.845 18389 571 1 1 . 1 1 110 110 ASP CB C 110 40.689 40.689 42.234 -1.545 18389 572 1 1 . 1 1 110 110 ASP H H 110 9.061 9.061 8.376 0.685 18389 573 1 1 . 1 1 111 111 SER N N 111 112.595 112.595 114.593 -1.998 18389 574 1 1 . 1 1 111 111 SER HA H 111 4.432 4.432 4.780 -0.348 18389 575 1 1 . 1 1 111 111 SER CA C 111 58.333 58.333 60.190 -1.857 18389 576 1 1 . 1 1 111 111 SER CB C 111 61.046 61.046 63.381 -2.335 18389 577 1 1 . 1 1 111 111 SER H H 111 8.435 8.435 8.511 -0.076 18389 578 1 1 . 1 1 112 112 SER N N 112 116.615 116.615 116.068 0.547 18389 579 1 1 . 1 1 112 112 SER HA H 112 4.862 4.862 4.673 0.189 18389 580 1 1 . 1 1 112 112 SER C C 112 170.519 170.519 173.348 -2.829 18389 581 1 1 . 1 1 112 112 SER CA C 112 54.017 54.017 57.182 -3.165 18389 582 1 1 . 1 1 112 112 SER CB C 112 62.948 62.948 65.198 -2.250 18389 583 1 1 . 1 1 112 112 SER H H 112 8.035 8.035 8.264 -0.229 18389 584 1 1 . 1 1 113 113 TRP N N 113 120.576 120.576 124.390 -3.814 18389 585 1 1 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.849 -0.295 18389 586 1 1 . 1 1 113 113 TRP C C 113 174.599 174.599 176.409 -1.810 18389 587 1 1 . 1 1 113 113 TRP CA C 113 56.882 56.882 56.145 0.737 18389 588 1 1 . 1 1 113 113 TRP CB C 113 27.360 27.360 27.990 -0.630 18389 589 1 1 . 1 1 113 113 TRP H H 113 8.318 8.318 8.674 -0.356 18389 590 1 1 . 1 1 114 114 LYS N N 114 123.372 123.372 123.530 -0.158 18389 591 1 1 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.676 0.218 18389 592 1 1 . 1 1 114 114 LYS C C 114 172.772 172.772 176.160 -3.388 18389 593 1 1 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.798 -1.851 18389 594 1 1 . 1 1 114 114 LYS CB C 114 34.250 34.250 34.214 0.036 18389 595 1 1 . 1 1 114 114 LYS H H 114 8.782 8.782 7.916 0.866 18389 596 1 1 . 1 1 115 115 THR N N 115 120.929 120.929 117.133 3.796 18389 597 1 1 . 1 1 115 115 THR HA H 115 5.226 5.226 4.704 0.522 18389 598 1 1 . 1 1 115 115 THR C C 115 171.778 171.778 174.976 -3.198 18389 599 1 1 . 1 1 115 115 THR CA C 115 59.671 59.671 63.441 -3.770 18389 600 1 1 . 1 1 115 115 THR CB C 115 66.938 66.938 69.077 -2.139 18389 601 1 1 . 1 1 115 115 THR H H 115 8.689 8.689 8.533 0.156 18389 602 1 1 . 1 1 116 116 ILE N N 116 131.929 131.929 129.140 2.789 18389 603 1 1 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.316 -0.132 18389 604 1 1 . 1 1 116 116 ILE C C 116 171.012 171.012 174.768 -3.756 18389 605 1 1 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.465 -4.108 18389 606 1 1 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.948 -3.617 18389 607 1 1 . 1 1 116 116 ILE H H 116 9.470 9.470 9.132 0.338 18389 608 1 1 . 1 1 117 117 GLU N N 117 124.514 124.514 127.767 -3.253 18389 609 1 1 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.698 0.172 18389 610 1 1 . 1 1 117 117 GLU C C 117 173.332 173.332 175.899 -2.567 18389 611 1 1 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.113 -4.315 18389 612 1 1 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.744 -0.051 18389 613 1 1 . 1 1 117 117 GLU H H 117 8.089 8.089 8.640 -0.551 18389 614 1 1 . 1 1 118 118 ILE N N 118 125.005 125.005 125.746 -0.741 18389 615 1 1 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.650 -0.227 18389 616 1 1 . 1 1 118 118 ILE C C 118 171.765 171.765 173.732 -1.967 18389 617 1 1 . 1 1 118 118 ILE CA C 118 55.640 55.640 57.811 -2.171 18389 618 1 1 . 1 1 118 118 ILE CB C 118 37.429 37.429 39.467 -2.038 18389 619 1 1 . 1 1 118 118 ILE H H 118 9.322 9.322 8.326 0.996 18389 620 1 1 . 1 1 119 119 PRO HA H 119 4.837 4.837 5.249 -0.412 18389 621 1 1 . 1 1 119 119 PRO C C 119 176.780 176.780 178.576 -1.796 18389 622 1 1 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.755 -2.351 18389 623 1 1 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.879 -3.814 18389 624 1 1 . 1 1 120 120 PHE N N 120 124.627 124.627 119.200 5.427 18389 625 1 1 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.252 0.742 18389 626 1 1 . 1 1 120 120 PHE C C 120 175.402 175.402 176.301 -0.899 18389 627 1 1 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.685 -1.413 18389 628 1 1 . 1 1 120 120 PHE CB C 120 35.245 35.245 38.206 -2.961 18389 629 1 1 . 1 1 120 120 PHE H H 120 8.160 8.160 8.918 -0.758 18389 630 1 1 . 1 1 121 121 SER N N 121 110.551 110.551 112.022 -1.471 18389 631 1 1 . 1 1 121 121 SER HA H 121 4.647 4.647 4.012 0.635 18389 632 1 1 . 1 1 121 121 SER C C 121 173.187 173.187 174.938 -1.751 18389 633 1 1 . 1 1 121 121 SER CA C 121 57.359 57.359 58.258 -0.899 18389 634 1 1 . 1 1 121 121 SER CB C 121 60.639 60.639 62.023 -1.384 18389 635 1 1 . 1 1 121 121 SER H H 121 8.367 8.367 7.806 0.561 18389 636 1 1 . 1 1 122 122 SER N N 122 117.166 117.166 117.181 -0.015 18389 637 1 1 . 1 1 122 122 SER HA H 122 4.946 4.946 4.384 0.562 18389 638 1 1 . 1 1 122 122 SER C C 122 172.296 172.296 173.689 -1.393 18389 639 1 1 . 1 1 122 122 SER CA C 122 57.525 57.525 60.587 -3.062 18389 640 1 1 . 1 1 122 122 SER CB C 122 61.716 61.716 63.782 -2.066 18389 641 1 1 . 1 1 122 122 SER H H 122 8.537 8.537 7.860 0.677 18389 642 1 1 . 1 1 123 123 PHE N N 123 119.840 119.840 119.633 0.207 18389 643 1 1 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.860 -0.213 18389 644 1 1 . 1 1 123 123 PHE C C 123 173.527 173.527 176.320 -2.793 18389 645 1 1 . 1 1 123 123 PHE CA C 123 58.778 58.778 58.396 0.382 18389 646 1 1 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.304 -1.757 18389 647 1 1 . 1 1 123 123 PHE H H 123 7.807 7.807 7.565 0.242 18389 648 1 1 . 1 1 124 124 ARG N N 124 120.098 120.098 119.776 0.322 18389 649 1 1 . 1 1 124 124 ARG HA H 124 5.341 5.341 4.989 0.352 18389 650 1 1 . 1 1 124 124 ARG C C 124 172.631 172.631 174.626 -1.995 18389 651 1 1 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.834 -2.509 18389 652 1 1 . 1 1 124 124 ARG CB C 124 30.721 30.721 32.800 -2.079 18389 653 1 1 . 1 1 124 124 ARG H H 124 9.297 9.297 9.045 0.252 18389 654 1 1 . 1 1 125 125 ARG N N 125 126.739 126.739 119.884 6.855 18389 655 1 1 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.980 -1.018 18389 656 1 1 . 1 1 125 125 ARG C C 125 174.319 174.319 176.537 -2.218 18389 657 1 1 . 1 1 125 125 ARG CA C 125 55.036 55.036 56.493 -1.457 18389 658 1 1 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.471 -3.123 18389 659 1 1 . 1 1 125 125 ARG H H 125 8.611 8.611 8.393 0.218 18389 660 1 1 . 1 1 126 126 ARG N N 126 126.556 126.556 121.974 4.582 18389 661 1 1 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.242 -0.278 18389 662 1 1 . 1 1 126 126 ARG C C 126 174.021 174.021 176.095 -2.074 18389 663 1 1 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.132 -0.594 18389 664 1 1 . 1 1 126 126 ARG CB C 126 29.739 29.739 29.426 0.313 18389 665 1 1 . 1 1 126 126 ARG H H 126 7.917 7.917 8.211 -0.294 18389 666 1 1 . 1 1 127 127 LEU N N 127 124.550 124.550 126.995 -2.445 18389 667 1 1 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.354 0.300 18389 668 1 1 . 1 1 127 127 LEU C C 127 175.775 175.775 177.564 -1.789 18389 669 1 1 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.856 -2.648 18389 670 1 1 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.160 -0.782 18389 671 1 1 . 1 1 127 127 LEU H H 127 8.817 8.817 8.750 0.067 18389 672 1 1 . 1 1 128 128 ASP N N 128 116.209 116.209 119.269 -3.060 18389 673 1 1 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.545 0.004 18389 674 1 1 . 1 1 128 128 ASP C C 128 172.491 172.491 175.459 -2.968 18389 675 1 1 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.033 -2.541 18389 676 1 1 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.243 -4.661 18389 677 1 1 . 1 1 128 128 ASP H H 128 9.072 9.072 8.181 0.891 18389 678 1 1 . 1 1 129 129 TYR N N 129 119.329 119.329 119.658 -0.329 18389 679 1 1 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.726 -0.373 18389 680 1 1 . 1 1 129 129 TYR C C 129 169.992 169.992 173.606 -3.614 18389 681 1 1 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.537 -1.192 18389 682 1 1 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.024 -1.577 18389 683 1 1 . 1 1 129 129 TYR H H 129 7.002 7.002 7.480 -0.478 18389 684 1 1 . 1 1 130 130 GLN N N 130 121.469 121.469 126.048 -4.579 18389 685 1 1 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.569 -0.660 18389 686 1 1 . 1 1 130 130 GLN C C 130 170.223 170.223 173.283 -3.060 18389 687 1 1 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.495 -2.706 18389 688 1 1 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.134 -1.508 18389 689 1 1 . 1 1 130 130 GLN H H 130 6.288 6.288 8.215 -1.927 18389 690 1 1 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.330 0.080 18389 691 1 1 . 1 1 132 132 PRO C C 132 175.720 175.720 177.447 -1.727 18389 692 1 1 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.987 -1.914 18389 693 1 1 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.131 -3.016 18389 694 1 1 . 1 1 133 133 GLY N N 133 104.558 104.558 110.113 -5.555 18389 695 1 1 . 1 1 133 133 GLY C C 133 171.229 171.229 172.869 -1.640 18389 696 1 1 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.891 -1.375 18389 697 1 1 . 1 1 133 133 GLY H H 133 8.298 8.298 8.640 -0.342 18389 698 1 1 . 1 1 134 134 GLN N N 134 116.684 116.684 120.460 -3.776 18389 699 1 1 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.495 -0.128 18389 700 1 1 . 1 1 134 134 GLN C C 134 172.815 172.815 175.196 -2.381 18389 701 1 1 . 1 1 134 134 GLN CA C 134 53.804 53.804 54.094 -0.290 18389 702 1 1 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.435 -4.569 18389 703 1 1 . 1 1 134 134 GLN H H 134 7.273 7.273 7.377 -0.104 18389 704 1 1 . 1 1 135 135 ASP N N 135 118.688 118.688 122.588 -3.900 18389 705 1 1 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.609 -0.247 18389 706 1 1 . 1 1 135 135 ASP C C 135 174.301 174.301 175.456 -1.155 18389 707 1 1 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.458 -2.648 18389 708 1 1 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.728 -4.824 18389 709 1 1 . 1 1 135 135 ASP H H 135 8.844 8.844 8.383 0.461 18389 710 1 1 . 1 1 136 136 MET N N 136 114.721 114.721 122.828 -8.107 18389 711 1 1 . 1 1 136 136 MET HA H 136 4.035 4.035 4.750 -0.715 18389 712 1 1 . 1 1 136 136 MET C C 136 174.252 174.252 176.555 -2.303 18389 713 1 1 . 1 1 136 136 MET CA C 136 54.461 54.461 54.483 -0.022 18389 714 1 1 . 1 1 136 136 MET CB C 136 29.439 29.439 32.462 -3.023 18389 715 1 1 . 1 1 136 136 MET H H 136 7.585 7.585 8.395 -0.810 18389 716 1 1 . 1 1 137 137 SER N N 137 118.130 118.130 115.686 2.444 18389 717 1 1 . 1 1 137 137 SER HA H 137 4.392 4.392 4.399 -0.007 18389 718 1 1 . 1 1 137 137 SER C C 137 174.811 174.811 175.875 -1.064 18389 719 1 1 . 1 1 137 137 SER CA C 137 57.841 57.841 59.470 -1.629 18389 720 1 1 . 1 1 137 137 SER CB C 137 62.369 62.369 63.397 -1.028 18389 721 1 1 . 1 1 137 137 SER H H 137 9.140 9.140 9.131 0.009 18389 722 1 1 . 1 1 138 138 GLY N N 138 114.534 114.534 109.057 5.477 18389 723 1 1 . 1 1 138 138 GLY C C 138 170.903 170.903 174.349 -3.446 18389 724 1 1 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.387 -1.190 18389 725 1 1 . 1 1 138 138 GLY H H 138 10.549 10.549 8.672 1.877 18389 726 1 1 . 1 1 139 139 THR N N 139 112.564 112.564 113.953 -1.389 18389 727 1 1 . 1 1 139 139 THR HA H 139 4.538 4.538 4.393 0.145 18389 728 1 1 . 1 1 139 139 THR C C 139 168.086 168.086 172.476 -4.390 18389 729 1 1 . 1 1 139 139 THR CA C 139 57.132 57.132 60.552 -3.420 18389 730 1 1 . 1 1 139 139 THR CB C 139 68.854 68.854 70.613 -1.759 18389 731 1 1 . 1 1 139 139 THR H H 139 8.504 8.504 7.412 1.092 18389 732 1 1 . 1 1 140 140 LEU N N 140 129.971 129.971 120.296 9.675 18389 733 1 1 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.165 -0.394 18389 734 1 1 . 1 1 140 140 LEU C C 140 172.175 172.175 175.390 -3.215 18389 735 1 1 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.522 -2.187 18389 736 1 1 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.533 -5.661 18389 737 1 1 . 1 1 140 140 LEU H H 140 7.900 7.900 7.560 0.340 18389 738 1 1 . 1 1 141 141 ASP N N 141 132.200 132.200 125.598 6.602 18389 739 1 1 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.674 0.030 18389 740 1 1 . 1 1 141 141 ASP C C 141 172.137 172.137 176.062 -3.925 18389 741 1 1 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.682 -1.990 18389 742 1 1 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.587 -3.026 18389 743 1 1 . 1 1 141 141 ASP H H 141 9.101 9.101 8.688 0.413 18389 744 1 1 . 1 1 142 142 LEU N N 142 122.667 122.667 124.736 -2.069 18389 745 1 1 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.615 0.125 18389 746 1 1 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.703 -2.956 18389 747 1 1 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.452 -1.554 18389 748 1 1 . 1 1 142 142 LEU H H 142 7.799 7.799 8.367 -0.568 18389 749 1 1 . 1 1 143 143 ASP N N 143 112.789 112.789 117.462 -4.673 18389 750 1 1 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.265 0.651 18389 751 1 1 . 1 1 143 143 ASP C C 143 173.547 173.547 176.395 -2.848 18389 752 1 1 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.505 -5.404 18389 753 1 1 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.800 -3.502 18389 754 1 1 . 1 1 143 143 ASP H H 143 8.473 8.473 8.193 0.280 18389 755 1 1 . 1 1 144 144 ASN N N 144 120.743 120.743 114.706 6.037 18389 756 1 1 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.814 0.265 18389 757 1 1 . 1 1 144 144 ASN C C 144 171.278 171.278 173.545 -2.267 18389 758 1 1 . 1 1 144 144 ASN CA C 144 49.474 49.474 51.926 -2.452 18389 759 1 1 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.405 -1.226 18389 760 1 1 . 1 1 144 144 ASN H H 144 7.867 7.867 7.557 0.310 18389 761 1 1 . 1 1 145 145 ILE N N 145 122.844 122.844 120.894 1.950 18389 762 1 1 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.531 -0.691 18389 763 1 1 . 1 1 145 145 ILE C C 145 172.420 172.420 175.095 -2.675 18389 764 1 1 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.947 -2.086 18389 765 1 1 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.376 -3.969 18389 766 1 1 . 1 1 145 145 ILE H H 145 8.770 8.770 8.257 0.513 18389 767 1 1 . 1 1 146 146 ASP N N 146 125.428 125.428 126.776 -1.348 18389 768 1 1 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.689 -0.036 18389 769 1 1 . 1 1 146 146 ASP C C 146 172.931 172.931 175.502 -2.571 18389 770 1 1 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.175 -1.823 18389 771 1 1 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.893 0.019 18389 772 1 1 . 1 1 146 146 ASP H H 146 9.355 9.355 9.043 0.312 18389 773 1 1 . 1 1 147 147 SER N N 147 108.442 108.442 111.577 -3.135 18389 774 1 1 . 1 1 147 147 SER HA H 147 5.054 5.054 4.877 0.177 18389 775 1 1 . 1 1 147 147 SER C C 147 169.957 169.957 172.420 -2.463 18389 776 1 1 . 1 1 147 147 SER CA C 147 54.584 54.584 57.803 -3.219 18389 777 1 1 . 1 1 147 147 SER CB C 147 62.518 62.518 66.066 -3.548 18389 778 1 1 . 1 1 147 147 SER H H 147 7.927 7.927 7.660 0.267 18389 779 1 1 . 1 1 148 148 ILE N N 148 110.150 110.150 114.738 -4.588 18389 780 1 1 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.305 0.344 18389 781 1 1 . 1 1 148 148 ILE C C 148 171.932 171.932 173.825 -1.893 18389 782 1 1 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.420 -2.799 18389 783 1 1 . 1 1 148 148 ILE CB C 148 38.713 38.713 42.287 -3.574 18389 784 1 1 . 1 1 148 148 ILE H H 148 8.043 8.043 8.931 -0.888 18389 785 1 1 . 1 1 149 149 HIS N N 149 118.612 118.612 121.596 -2.984 18389 786 1 1 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.315 1.175 18389 787 1 1 . 1 1 149 149 HIS C C 149 174.287 174.287 174.087 0.200 18389 788 1 1 . 1 1 149 149 HIS CA C 149 51.902 51.902 55.499 -3.597 18389 789 1 1 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.432 -0.473 18389 790 1 1 . 1 1 149 149 HIS H H 149 9.331 9.331 9.490 -0.159 18389 791 1 1 . 1 1 150 150 PHE N N 150 117.037 117.037 125.540 -8.503 18389 792 1 1 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.644 0.886 18389 793 1 1 . 1 1 150 150 PHE C C 150 172.808 172.808 174.136 -1.328 18389 794 1 1 . 1 1 150 150 PHE CA C 150 56.503 56.503 58.977 -2.474 18389 795 1 1 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.065 -0.785 18389 796 1 1 . 1 1 150 150 PHE H H 150 8.788 8.788 8.374 0.414 18389 797 1 1 . 1 1 151 151 MET N N 151 119.781 119.781 124.249 -4.468 18389 798 1 1 . 1 1 151 151 MET HA H 151 4.664 4.664 4.501 0.163 18389 799 1 1 . 1 1 151 151 MET C C 151 170.282 170.282 173.890 -3.608 18389 800 1 1 . 1 1 151 151 MET CA C 151 52.146 52.146 53.273 -1.127 18389 801 1 1 . 1 1 151 151 MET CB C 151 34.947 34.947 36.578 -1.631 18389 802 1 1 . 1 1 151 151 MET H H 151 9.761 9.761 7.397 2.364 18389 803 1 1 . 1 1 152 152 TYR N N 152 117.149 117.149 119.826 -2.677 18389 804 1 1 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.210 -0.134 18389 805 1 1 . 1 1 152 152 TYR C C 152 171.554 171.554 174.390 -2.836 18389 806 1 1 . 1 1 152 152 TYR CA C 152 55.345 55.345 57.680 -2.335 18389 807 1 1 . 1 1 152 152 TYR CB C 152 36.904 36.904 37.716 -0.812 18389 808 1 1 . 1 1 152 152 TYR H H 152 6.275 6.275 8.131 -1.856 18389 809 1 1 . 1 1 153 153 ALA N N 153 121.523 121.523 124.217 -2.694 18389 810 1 1 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.461 -0.298 18389 811 1 1 . 1 1 153 153 ALA C C 153 173.777 173.777 175.228 -1.451 18389 812 1 1 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.207 -3.022 18389 813 1 1 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.912 0.053 18389 814 1 1 . 1 1 153 153 ALA H H 153 10.019 10.019 8.687 1.332 18389 815 1 1 . 1 1 154 154 ASN N N 154 114.643 114.643 115.600 -0.957 18389 816 1 1 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.853 0.331 18389 817 1 1 . 1 1 154 154 ASN C C 154 173.267 173.267 174.119 -0.852 18389 818 1 1 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.993 -3.078 18389 819 1 1 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.499 -3.786 18389 820 1 1 . 1 1 154 154 ASN H H 154 8.141 8.141 7.980 0.161 18389 821 1 1 . 1 1 156 156 LYS N N 156 119.099 119.099 120.936 -1.837 18389 822 1 1 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.256 0.482 18389 823 1 1 . 1 1 156 156 LYS C C 156 173.965 173.965 175.994 -2.029 18389 824 1 1 . 1 1 156 156 LYS CA C 156 53.872 53.872 55.859 -1.987 18389 825 1 1 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.032 -2.606 18389 826 1 1 . 1 1 156 156 LYS H H 156 8.298 8.298 7.807 0.491 18389 827 1 1 . 1 1 157 157 SER N N 157 115.584 115.584 117.563 -1.979 18389 828 1 1 . 1 1 157 157 SER HA H 157 5.055 5.055 4.490 0.565 18389 829 1 1 . 1 1 157 157 SER C C 157 169.925 169.925 174.052 -4.127 18389 830 1 1 . 1 1 157 157 SER CA C 157 55.617 55.617 58.539 -2.922 18389 831 1 1 . 1 1 157 157 SER CB C 157 63.180 63.180 63.717 -0.537 18389 832 1 1 . 1 1 157 157 SER H H 157 8.240 8.240 8.319 -0.079 18389 833 1 1 . 1 1 158 158 GLY N N 158 108.219 108.219 112.779 -4.560 18389 834 1 1 . 1 1 158 158 GLY C C 158 168.322 168.322 171.125 -2.803 18389 835 1 1 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.297 -1.732 18389 836 1 1 . 1 1 158 158 GLY H H 158 6.942 6.942 8.573 -1.631 18389 837 1 1 . 1 1 159 159 LYS N N 159 116.608 116.608 118.197 -1.589 18389 838 1 1 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.496 0.025 18389 839 1 1 . 1 1 159 159 LYS C C 159 172.966 172.966 174.801 -1.835 18389 840 1 1 . 1 1 159 159 LYS CA C 159 53.141 53.141 55.094 -1.953 18389 841 1 1 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.580 -1.875 18389 842 1 1 . 1 1 159 159 LYS H H 159 7.925 7.925 7.925 0.000 18389 843 1 1 . 1 1 160 160 PHE N N 160 121.804 121.804 117.665 4.139 18389 844 1 1 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.492 0.033 18389 845 1 1 . 1 1 160 160 PHE C C 160 168.125 168.125 174.104 -5.979 18389 846 1 1 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.707 -3.392 18389 847 1 1 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.844 -4.793 18389 848 1 1 . 1 1 160 160 PHE H H 160 8.834 8.834 9.190 -0.356 18389 849 1 1 . 1 1 161 161 VAL N N 161 119.787 119.787 119.244 0.543 18389 850 1 1 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.053 0.325 18389 851 1 1 . 1 1 161 161 VAL C C 161 170.736 170.736 174.080 -3.344 18389 852 1 1 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.858 -4.202 18389 853 1 1 . 1 1 161 161 VAL CB C 161 31.937 31.937 36.420 -4.483 18389 854 1 1 . 1 1 161 161 VAL H H 161 9.277 9.277 8.425 0.852 18389 855 1 1 . 1 1 162 162 VAL N N 162 121.357 121.357 122.205 -0.848 18389 856 1 1 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.243 0.724 18389 857 1 1 . 1 1 162 162 VAL C C 162 170.928 170.928 173.483 -2.555 18389 858 1 1 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.377 -3.692 18389 859 1 1 . 1 1 162 162 VAL CB C 162 33.842 33.842 36.013 -2.171 18389 860 1 1 . 1 1 162 162 VAL H H 162 8.453 8.453 9.097 -0.644 18389 861 1 1 . 1 1 163 163 ASP N N 163 119.088 119.088 120.319 -1.231 18389 862 1 1 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.128 0.451 18389 863 1 1 . 1 1 163 163 ASP C C 163 172.563 172.563 175.065 -2.502 18389 864 1 1 . 1 1 163 163 ASP CA C 163 49.482 49.482 51.678 -2.196 18389 865 1 1 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.056 -2.593 18389 866 1 1 . 1 1 163 163 ASP H H 163 9.233 9.233 7.903 1.330 18389 867 1 1 . 1 1 164 164 ASN N N 164 117.316 117.316 115.121 2.195 18389 868 1 1 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.418 0.231 18389 869 1 1 . 1 1 164 164 ASN C C 164 170.940 170.940 174.498 -3.558 18389 870 1 1 . 1 1 164 164 ASN CA C 164 52.672 52.672 53.827 -1.155 18389 871 1 1 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.159 -1.764 18389 872 1 1 . 1 1 164 164 ASN H H 164 9.864 9.864 8.499 1.365 18389 873 1 1 . 1 1 165 165 ILE N N 165 118.660 118.660 119.895 -1.235 18389 874 1 1 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.662 0.777 18389 875 1 1 . 1 1 165 165 ILE C C 165 173.336 173.336 175.769 -2.433 18389 876 1 1 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.039 -2.884 18389 877 1 1 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.950 -2.763 18389 878 1 1 . 1 1 165 165 ILE H H 165 8.716 8.716 8.120 0.596 18389 879 1 1 . 1 1 166 166 LYS N N 166 127.896 127.896 125.878 2.018 18389 880 1 1 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.055 0.123 18389 881 1 1 . 1 1 166 166 LYS C C 166 170.453 170.453 174.824 -4.371 18389 882 1 1 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.572 -2.048 18389 883 1 1 . 1 1 166 166 LYS CB C 166 35.246 35.246 37.475 -2.229 18389 884 1 1 . 1 1 166 166 LYS H H 166 9.921 9.921 9.055 0.866 18389 885 1 1 . 1 1 167 167 LEU N N 167 120.747 120.747 120.591 0.156 18389 886 1 1 . 1 1 167 167 LEU HA H 167 4.836 4.836 5.016 -0.180 18389 887 1 1 . 1 1 167 167 LEU C C 167 173.703 173.703 175.782 -2.079 18389 888 1 1 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.560 -2.981 18389 889 1 1 . 1 1 167 167 LEU CB C 167 40.711 40.711 43.616 -2.905 18389 890 1 1 . 1 1 167 167 LEU H H 167 8.552 8.552 8.591 -0.039 18389 891 1 1 . 1 1 168 168 ILE N N 168 116.914 116.914 119.962 -3.048 18389 892 1 1 . 1 1 168 168 ILE HA H 168 4.989 4.989 5.077 -0.088 18389 893 1 1 . 1 1 168 168 ILE C C 168 173.923 173.923 176.761 -2.838 18389 894 1 1 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.481 -1.105 18389 895 1 1 . 1 1 168 168 ILE CB C 168 38.938 38.938 40.307 -1.369 18389 896 1 1 . 1 1 168 168 ILE H H 168 8.523 8.523 9.001 -0.478 18389 897 1 1 . 1 1 169 169 GLY N N 169 114.527 114.527 112.366 2.161 18389 898 1 1 . 1 1 169 169 GLY C C 169 169.252 169.252 173.177 -3.925 18389 899 1 1 . 1 1 169 169 GLY CA C 169 42.925 42.925 43.992 -1.067 18389 900 1 1 . 1 1 169 169 GLY H H 169 8.942 8.942 8.918 0.024 18389 901 1 1 . 1 1 170 170 ALA N N 170 123.678 123.678 120.511 3.167 18389 902 1 1 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.244 0.180 18389 903 1 1 . 1 1 170 170 ALA C C 170 174.985 174.985 177.280 -2.295 18389 904 1 1 . 1 1 170 170 ALA CA C 170 49.344 49.344 52.205 -2.861 18389 905 1 1 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.454 -2.368 18389 906 1 1 . 1 1 170 170 ALA H H 170 8.321 8.321 8.267 0.054 18389 907 1 1 . 1 1 171 171 LEU N N 171 122.139 122.139 121.921 0.218 18389 908 1 1 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.712 -0.307 18389 909 1 1 . 1 1 171 171 LEU C C 171 174.478 174.478 175.783 -1.305 18389 910 1 1 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.948 -2.314 18389 911 1 1 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.866 -1.755 18389 912 1 1 . 1 1 171 171 LEU H H 171 8.182 8.182 8.334 -0.152 18389 913 1 2 . 1 1 2 2 ALA N N 2 119.048 119.048 123.142 -4.094 18389 914 1 2 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.436 -0.152 18389 915 1 2 . 1 1 2 2 ALA C C 2 174.144 174.144 177.276 -3.132 18389 916 1 2 . 1 1 2 2 ALA CA C 2 48.383 48.383 52.353 -3.970 18389 917 1 2 . 1 1 2 2 ALA CB C 2 19.829 19.829 18.355 1.474 18389 918 1 2 . 1 1 2 2 ALA H H 2 9.577 9.577 8.318 1.259 18389 919 1 2 . 1 1 3 3 SER N N 3 114.278 114.278 116.167 -1.889 18389 920 1 2 . 1 1 3 3 SER C C 3 173.040 173.040 174.425 -1.385 18389 921 1 2 . 1 1 3 3 SER H H 3 8.152 8.152 7.910 0.242 18389 922 1 2 . 1 1 6 6 GLY N N 6 112.362 112.362 112.621 -0.259 18389 923 1 2 . 1 1 6 6 GLY C C 6 170.686 170.686 173.104 -2.418 18389 924 1 2 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.025 -1.712 18389 925 1 2 . 1 1 6 6 GLY H H 6 8.750 8.750 8.884 -0.134 18389 926 1 2 . 1 1 7 7 GLU N N 7 117.722 117.722 116.931 0.791 18389 927 1 2 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.715 0.714 18389 928 1 2 . 1 1 7 7 GLU C C 7 172.744 172.744 174.492 -1.748 18389 929 1 2 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.766 -2.518 18389 930 1 2 . 1 1 7 7 GLU CB C 7 31.170 31.170 32.693 -1.523 18389 931 1 2 . 1 1 7 7 GLU H H 7 8.078 8.078 7.539 0.539 18389 932 1 2 . 1 1 8 8 LYS N N 8 122.832 122.832 122.817 0.015 18389 933 1 2 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.556 -0.017 18389 934 1 2 . 1 1 8 8 LYS C C 8 171.963 171.963 174.913 -2.950 18389 935 1 2 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.777 -2.212 18389 936 1 2 . 1 1 8 8 LYS CB C 8 33.185 33.185 35.843 -2.658 18389 937 1 2 . 1 1 8 8 LYS H H 8 8.434 8.434 8.419 0.015 18389 938 1 2 . 1 1 9 9 MET N N 9 128.562 128.562 126.267 2.295 18389 939 1 2 . 1 1 9 9 MET HA H 9 4.536 4.536 4.309 0.227 18389 940 1 2 . 1 1 9 9 MET C C 9 172.911 172.911 175.658 -2.747 18389 941 1 2 . 1 1 9 9 MET CA C 9 53.012 53.012 56.818 -3.805 18389 942 1 2 . 1 1 9 9 MET CB C 9 28.376 28.376 32.961 -4.585 18389 943 1 2 . 1 1 9 9 MET H H 9 8.984 8.984 8.847 0.137 18389 944 1 2 . 1 1 10 10 LEU N N 10 129.881 129.881 127.995 1.886 18389 945 1 2 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.480 0.184 18389 946 1 2 . 1 1 10 10 LEU C C 10 174.887 174.887 177.426 -2.539 18389 947 1 2 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.912 -2.699 18389 948 1 2 . 1 1 10 10 LEU CB C 10 40.399 40.399 42.962 -2.563 18389 949 1 2 . 1 1 10 10 LEU H H 10 9.751 9.751 9.010 0.741 18389 950 1 2 . 1 1 11 11 ASP N N 11 115.516 115.516 116.300 -0.784 18389 951 1 2 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.888 -0.165 18389 952 1 2 . 1 1 11 11 ASP C C 11 170.836 170.836 173.883 -3.047 18389 953 1 2 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.535 0.048 18389 954 1 2 . 1 1 11 11 ASP CB C 11 40.219 40.219 44.286 -4.067 18389 955 1 2 . 1 1 11 11 ASP H H 11 8.110 8.110 7.865 0.245 18389 956 1 2 . 1 1 12 12 ASP N N 12 124.144 124.144 119.694 4.450 18389 957 1 2 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.696 0.155 18389 958 1 2 . 1 1 12 12 ASP C C 12 175.055 175.055 175.817 -0.762 18389 959 1 2 . 1 1 12 12 ASP CA C 12 50.310 50.310 53.754 -3.444 18389 960 1 2 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.645 -3.450 18389 961 1 2 . 1 1 12 12 ASP H H 12 8.053 8.053 8.613 -0.560 18389 962 1 2 . 1 1 13 13 PHE N N 13 117.584 117.584 114.054 3.530 18389 963 1 2 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.361 -0.089 18389 964 1 2 . 1 1 13 13 PHE C C 13 171.960 171.960 175.351 -3.391 18389 965 1 2 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.158 -0.245 18389 966 1 2 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.317 -4.142 18389 967 1 2 . 1 1 13 13 PHE H H 13 9.327 9.327 8.480 0.847 18389 968 1 2 . 1 1 14 14 GLU N N 14 113.122 113.122 117.250 -4.128 18389 969 1 2 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.557 0.492 18389 970 1 2 . 1 1 14 14 GLU C C 14 175.300 175.300 177.814 -2.514 18389 971 1 2 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.189 -5.208 18389 972 1 2 . 1 1 14 14 GLU CB C 14 24.994 24.994 30.107 -5.113 18389 973 1 2 . 1 1 14 14 GLU H H 14 8.165 8.165 8.473 -0.308 18389 974 1 2 . 1 1 15 15 GLY N N 15 110.108 110.108 108.933 1.175 18389 975 1 2 . 1 1 15 15 GLY C C 15 171.609 171.609 174.253 -2.644 18389 976 1 2 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.558 -2.704 18389 977 1 2 . 1 1 15 15 GLY H H 15 8.117 8.117 7.906 0.211 18389 978 1 2 . 1 1 16 16 VAL N N 16 121.792 121.792 121.373 0.419 18389 979 1 2 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.041 0.230 18389 980 1 2 . 1 1 16 16 VAL C C 16 173.203 173.203 175.678 -2.475 18389 981 1 2 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.058 -2.775 18389 982 1 2 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.625 -2.424 18389 983 1 2 . 1 1 16 16 VAL H H 16 8.190 8.190 8.061 0.129 18389 984 1 2 . 1 1 17 17 LEU N N 17 124.682 124.682 128.295 -3.613 18389 985 1 2 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.439 0.459 18389 986 1 2 . 1 1 17 17 LEU C C 17 174.685 174.685 176.624 -1.939 18389 987 1 2 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.209 -2.411 18389 988 1 2 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.105 -2.969 18389 989 1 2 . 1 1 17 17 LEU H H 17 8.500 8.500 8.558 -0.058 18389 990 1 2 . 1 1 18 18 ASN N N 18 127.589 127.589 123.958 3.631 18389 991 1 2 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.486 0.661 18389 992 1 2 . 1 1 18 18 ASN C C 18 171.583 171.583 173.582 -1.999 18389 993 1 2 . 1 1 18 18 ASN CA C 18 50.977 50.977 51.897 -0.920 18389 994 1 2 . 1 1 18 18 ASN CB C 18 37.143 37.143 37.904 -0.761 18389 995 1 2 . 1 1 18 18 ASN H H 18 9.956 9.956 8.142 1.814 18389 996 1 2 . 1 1 19 19 TRP N N 19 119.913 119.913 118.621 1.292 18389 997 1 2 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.885 0.173 18389 998 1 2 . 1 1 19 19 TRP C C 19 174.918 174.918 176.980 -2.062 18389 999 1 2 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.559 -0.183 18389 1000 1 2 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.610 -4.210 18389 1001 1 2 . 1 1 19 19 TRP H H 19 7.057 7.057 6.989 0.068 18389 1002 1 2 . 1 1 20 20 GLY N N 20 112.934 112.934 109.611 3.323 18389 1003 1 2 . 1 1 20 20 GLY C C 20 171.436 171.436 173.543 -2.107 18389 1004 1 2 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.047 -4.106 18389 1005 1 2 . 1 1 20 20 GLY H H 20 9.622 9.622 9.009 0.613 18389 1006 1 2 . 1 1 21 21 SER N N 21 114.752 114.752 115.989 -1.237 18389 1007 1 2 . 1 1 21 21 SER HA H 21 5.686 5.686 5.198 0.488 18389 1008 1 2 . 1 1 21 21 SER C C 21 170.314 170.314 173.293 -2.979 18389 1009 1 2 . 1 1 21 21 SER CA C 21 55.911 55.911 57.165 -1.254 18389 1010 1 2 . 1 1 21 21 SER CB C 21 64.070 64.070 67.262 -3.192 18389 1011 1 2 . 1 1 21 21 SER H H 21 8.899 8.899 8.218 0.681 18389 1012 1 2 . 1 1 22 22 TYR N N 22 118.001 118.001 118.738 -0.737 18389 1013 1 2 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.945 0.355 18389 1014 1 2 . 1 1 22 22 TYR C C 22 170.760 170.760 172.952 -2.192 18389 1015 1 2 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.334 -3.684 18389 1016 1 2 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.071 -2.247 18389 1017 1 2 . 1 1 22 22 TYR H H 22 8.807 8.807 8.209 0.598 18389 1018 1 2 . 1 1 23 23 SER N N 23 109.826 109.826 115.461 -5.635 18389 1019 1 2 . 1 1 23 23 SER HA H 23 4.912 4.912 5.513 -0.601 18389 1020 1 2 . 1 1 23 23 SER C C 23 169.918 169.918 173.003 -3.085 18389 1021 1 2 . 1 1 23 23 SER CA C 23 55.664 55.664 57.084 -1.420 18389 1022 1 2 . 1 1 23 23 SER CB C 23 62.361 62.361 67.334 -4.973 18389 1023 1 2 . 1 1 23 23 SER H H 23 8.435 8.435 8.437 -0.002 18389 1024 1 2 . 1 1 24 24 GLY N N 24 103.788 103.788 106.922 -3.134 18389 1025 1 2 . 1 1 24 24 GLY C C 24 170.240 170.240 173.102 -2.862 18389 1026 1 2 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.943 -2.175 18389 1027 1 2 . 1 1 24 24 GLY H H 24 7.339 7.339 8.231 -0.892 18389 1028 1 2 . 1 1 25 25 GLU N N 25 116.420 116.420 120.174 -3.754 18389 1029 1 2 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.899 0.210 18389 1030 1 2 . 1 1 25 25 GLU C C 25 173.683 173.683 176.996 -3.313 18389 1031 1 2 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.371 -3.684 18389 1032 1 2 . 1 1 25 25 GLU CB C 25 25.146 25.146 27.646 -2.500 18389 1033 1 2 . 1 1 25 25 GLU H H 25 8.962 8.962 8.905 0.057 18389 1034 1 2 . 1 1 26 26 GLY N N 26 106.660 106.660 103.252 3.408 18389 1035 1 2 . 1 1 26 26 GLY C C 26 171.638 171.638 173.426 -1.788 18389 1036 1 2 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.668 -1.495 18389 1037 1 2 . 1 1 26 26 GLY H H 26 8.483 8.483 8.447 0.036 18389 1038 1 2 . 1 1 27 27 ALA N N 27 123.407 123.407 123.807 -0.400 18389 1039 1 2 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.106 0.541 18389 1040 1 2 . 1 1 27 27 ALA C C 27 174.232 174.232 175.568 -1.336 18389 1041 1 2 . 1 1 27 27 ALA CA C 27 49.563 49.563 52.432 -2.869 18389 1042 1 2 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.108 -2.571 18389 1043 1 2 . 1 1 27 27 ALA H H 27 7.182 7.182 7.678 -0.496 18389 1044 1 2 . 1 1 28 28 LYS N N 28 117.590 117.590 117.140 0.450 18389 1045 1 2 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.638 0.254 18389 1046 1 2 . 1 1 28 28 LYS C C 28 171.365 171.365 174.731 -3.366 18389 1047 1 2 . 1 1 28 28 LYS CA C 28 52.419 52.419 54.042 -1.623 18389 1048 1 2 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.999 -2.455 18389 1049 1 2 . 1 1 28 28 LYS H H 28 8.650 8.650 8.433 0.217 18389 1050 1 2 . 1 1 29 29 VAL N N 29 118.148 118.148 119.248 -1.100 18389 1051 1 2 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.537 0.704 18389 1052 1 2 . 1 1 29 29 VAL C C 29 169.809 169.809 175.218 -5.409 18389 1053 1 2 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.011 -2.928 18389 1054 1 2 . 1 1 29 29 VAL CB C 29 31.475 31.475 34.102 -2.627 18389 1055 1 2 . 1 1 29 29 VAL H H 29 8.327 8.327 8.409 -0.082 18389 1056 1 2 . 1 1 30 30 SER N N 30 120.964 120.964 120.442 0.522 18389 1057 1 2 . 1 1 30 30 SER HA H 30 4.993 4.993 4.824 0.169 18389 1058 1 2 . 1 1 30 30 SER C C 30 170.354 170.354 173.467 -3.113 18389 1059 1 2 . 1 1 30 30 SER CA C 30 54.438 54.438 56.753 -2.315 18389 1060 1 2 . 1 1 30 30 SER CB C 30 63.262 63.262 64.748 -1.486 18389 1061 1 2 . 1 1 30 30 SER H H 30 8.797 8.797 8.686 0.111 18389 1062 1 2 . 1 1 31 31 THR N N 31 112.970 112.970 116.505 -3.535 18389 1063 1 2 . 1 1 31 31 THR HA H 31 5.618 5.618 5.322 0.296 18389 1064 1 2 . 1 1 31 31 THR C C 31 171.857 171.857 174.189 -2.332 18389 1065 1 2 . 1 1 31 31 THR CA C 31 56.212 56.212 60.337 -4.125 18389 1066 1 2 . 1 1 31 31 THR CB C 31 69.719 69.719 70.544 -0.825 18389 1067 1 2 . 1 1 31 31 THR H H 31 8.384 8.384 8.391 -0.007 18389 1068 1 2 . 1 1 32 32 LYS N N 32 119.710 119.710 122.872 -3.162 18389 1069 1 2 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.672 0.054 18389 1070 1 2 . 1 1 32 32 LYS C C 32 171.734 171.734 175.008 -3.274 18389 1071 1 2 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.703 -1.730 18389 1072 1 2 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.428 -2.334 18389 1073 1 2 . 1 1 32 32 LYS H H 32 8.530 8.530 8.943 -0.413 18389 1074 1 2 . 1 1 33 33 ILE N N 33 124.276 124.276 122.816 1.460 18389 1075 1 2 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.824 0.150 18389 1076 1 2 . 1 1 33 33 ILE C C 33 173.578 173.578 176.073 -2.495 18389 1077 1 2 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.823 -3.384 18389 1078 1 2 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.580 -5.117 18389 1079 1 2 . 1 1 33 33 ILE H H 33 8.669 8.669 8.478 0.191 18389 1080 1 2 . 1 1 34 34 VAL N N 34 121.698 121.698 122.250 -0.552 18389 1081 1 2 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.676 0.191 18389 1082 1 2 . 1 1 34 34 VAL C C 34 172.702 172.702 174.750 -2.048 18389 1083 1 2 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.520 -2.861 18389 1084 1 2 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.937 -1.028 18389 1085 1 2 . 1 1 34 34 VAL H H 34 8.463 8.463 8.684 -0.221 18389 1086 1 2 . 1 1 35 35 SER N N 35 115.704 115.704 115.728 -0.024 18389 1087 1 2 . 1 1 35 35 SER HA H 35 4.590 4.590 4.398 0.192 18389 1088 1 2 . 1 1 35 35 SER CA C 35 58.345 58.345 59.338 -0.993 18389 1089 1 2 . 1 1 35 35 SER CB C 35 60.619 60.619 63.359 -2.740 18389 1090 1 2 . 1 1 35 35 SER H H 35 8.271 8.271 8.436 -0.165 18389 1091 1 2 . 1 1 36 36 GLY N N 36 113.970 113.970 112.075 1.895 18389 1092 1 2 . 1 1 36 36 GLY C C 36 170.257 170.257 172.858 -2.601 18389 1093 1 2 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.446 -2.748 18389 1094 1 2 . 1 1 36 36 GLY H H 36 9.267 9.267 8.069 1.198 18389 1095 1 2 . 1 1 37 37 LYS N N 37 129.227 129.227 118.680 10.547 18389 1096 1 2 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.830 -0.475 18389 1097 1 2 . 1 1 37 37 LYS C C 37 174.912 174.912 176.974 -2.062 18389 1098 1 2 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.033 -2.478 18389 1099 1 2 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.982 -3.573 18389 1100 1 2 . 1 1 37 37 LYS H H 37 8.484 8.484 8.578 -0.094 18389 1101 1 2 . 1 1 38 38 THR N N 38 109.924 109.924 111.603 -1.679 18389 1102 1 2 . 1 1 38 38 THR HA H 38 4.398 4.398 4.462 -0.064 18389 1103 1 2 . 1 1 38 38 THR C C 38 171.818 171.818 173.855 -2.037 18389 1104 1 2 . 1 1 38 38 THR CA C 38 57.223 57.223 60.836 -3.613 18389 1105 1 2 . 1 1 38 38 THR CB C 38 67.805 67.805 70.904 -3.099 18389 1106 1 2 . 1 1 38 38 THR H H 38 7.549 7.549 8.110 -0.561 18389 1107 1 2 . 1 1 40 40 ASN N N 40 129.674 129.674 122.946 6.728 18389 1108 1 2 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.955 0.568 18389 1109 1 2 . 1 1 40 40 ASN C C 40 173.717 173.717 175.425 -1.708 18389 1110 1 2 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.388 -2.066 18389 1111 1 2 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.901 -2.713 18389 1112 1 2 . 1 1 40 40 ASN H H 40 10.958 10.958 8.662 2.296 18389 1113 1 2 . 1 1 41 41 GLY N N 41 111.261 111.261 106.962 4.299 18389 1114 1 2 . 1 1 41 41 GLY C C 41 166.652 166.652 172.286 -5.634 18389 1115 1 2 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.343 -1.632 18389 1116 1 2 . 1 1 41 41 GLY H H 41 9.674 9.674 8.831 0.843 18389 1117 1 2 . 1 1 42 42 MET N N 42 119.165 119.165 119.518 -0.353 18389 1118 1 2 . 1 1 42 42 MET HA H 42 4.849 4.849 5.219 -0.370 18389 1119 1 2 . 1 1 42 42 MET C C 42 171.154 171.154 174.084 -2.930 18389 1120 1 2 . 1 1 42 42 MET CA C 42 51.503 51.503 54.002 -2.499 18389 1121 1 2 . 1 1 42 42 MET CB C 42 33.293 33.293 35.650 -2.357 18389 1122 1 2 . 1 1 42 42 MET H H 42 7.550 7.550 8.788 -1.238 18389 1123 1 2 . 1 1 43 43 GLU N N 43 128.221 128.221 127.032 1.189 18389 1124 1 2 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.430 -0.564 18389 1125 1 2 . 1 1 43 43 GLU C C 43 172.612 172.612 174.457 -1.845 18389 1126 1 2 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.394 -2.715 18389 1127 1 2 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.435 -3.039 18389 1128 1 2 . 1 1 43 43 GLU H H 43 9.355 9.355 8.905 0.450 18389 1129 1 2 . 1 1 44 44 VAL N N 44 131.011 131.011 125.121 5.890 18389 1130 1 2 . 1 1 44 44 VAL HA H 44 4.362 4.362 5.213 -0.851 18389 1131 1 2 . 1 1 44 44 VAL C C 44 171.752 171.752 173.419 -1.667 18389 1132 1 2 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.715 -1.380 18389 1133 1 2 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.546 -6.596 18389 1134 1 2 . 1 1 44 44 VAL H H 44 9.002 9.002 9.036 -0.034 18389 1135 1 2 . 1 1 45 45 SER N N 45 120.764 120.764 122.008 -1.244 18389 1136 1 2 . 1 1 45 45 SER HA H 45 4.975 4.975 5.549 -0.574 18389 1137 1 2 . 1 1 45 45 SER C C 45 170.500 170.500 172.837 -2.337 18389 1138 1 2 . 1 1 45 45 SER CA C 45 53.547 53.547 56.575 -3.028 18389 1139 1 2 . 1 1 45 45 SER CB C 45 61.650 61.650 65.471 -3.821 18389 1140 1 2 . 1 1 45 45 SER H H 45 8.511 8.511 8.814 -0.303 18389 1141 1 2 . 1 1 46 46 TYR N N 46 123.478 123.478 124.709 -1.231 18389 1142 1 2 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.307 -0.032 18389 1143 1 2 . 1 1 46 46 TYR C C 46 171.644 171.644 175.710 -4.066 18389 1144 1 2 . 1 1 46 46 TYR CA C 46 52.235 52.235 56.821 -4.586 18389 1145 1 2 . 1 1 46 46 TYR CB C 46 37.465 37.465 43.558 -6.093 18389 1146 1 2 . 1 1 46 46 TYR H H 46 8.511 8.511 9.258 -0.747 18389 1147 1 2 . 1 1 47 47 THR N N 47 118.641 118.641 118.886 -0.245 18389 1148 1 2 . 1 1 47 47 THR HA H 47 4.793 4.793 4.608 0.185 18389 1149 1 2 . 1 1 47 47 THR C C 47 171.614 171.614 173.703 -2.089 18389 1150 1 2 . 1 1 47 47 THR CA C 47 58.267 58.267 61.721 -3.454 18389 1151 1 2 . 1 1 47 47 THR CB C 47 68.820 68.820 70.419 -1.599 18389 1152 1 2 . 1 1 47 47 THR H H 47 8.935 8.935 8.301 0.634 18389 1153 1 2 . 1 1 48 48 GLY N N 48 112.467 112.467 110.878 1.589 18389 1154 1 2 . 1 1 48 48 GLY C C 48 170.521 170.521 172.010 -1.489 18389 1155 1 2 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.598 -1.522 18389 1156 1 2 . 1 1 48 48 GLY H H 48 7.723 7.723 7.782 -0.059 18389 1157 1 2 . 1 1 49 49 THR N N 49 106.823 106.823 110.915 -4.092 18389 1158 1 2 . 1 1 49 49 THR HA H 49 4.913 4.913 4.497 0.416 18389 1159 1 2 . 1 1 49 49 THR C C 49 172.529 172.529 175.120 -2.591 18389 1160 1 2 . 1 1 49 49 THR CA C 49 57.385 57.385 59.853 -2.469 18389 1161 1 2 . 1 1 49 49 THR CB C 49 69.609 69.609 71.068 -1.459 18389 1162 1 2 . 1 1 49 49 THR H H 49 8.019 8.019 6.663 1.356 18389 1163 1 2 . 1 1 51 51 ASP N N 51 118.095 118.095 119.797 -1.702 18389 1164 1 2 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.992 0.012 18389 1165 1 2 . 1 1 51 51 ASP C C 51 172.913 172.913 176.679 -3.766 18389 1166 1 2 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.203 -0.958 18389 1167 1 2 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.498 -2.728 18389 1168 1 2 . 1 1 51 51 ASP H H 51 8.613 8.613 8.395 0.218 18389 1169 1 2 . 1 1 52 52 GLY N N 52 107.075 107.075 108.783 -1.708 18389 1170 1 2 . 1 1 52 52 GLY C C 52 169.748 169.748 173.594 -3.846 18389 1171 1 2 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.857 -1.951 18389 1172 1 2 . 1 1 52 52 GLY H H 52 7.651 7.651 7.641 0.010 18389 1173 1 2 . 1 1 53 53 TYR N N 53 112.556 112.556 114.001 -1.445 18389 1174 1 2 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.360 -0.739 18389 1175 1 2 . 1 1 53 53 TYR C C 53 169.219 169.219 173.017 -3.798 18389 1176 1 2 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.477 -4.371 18389 1177 1 2 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.300 -1.270 18389 1178 1 2 . 1 1 53 53 TYR H H 53 6.918 6.918 8.059 -1.141 18389 1179 1 2 . 1 1 54 54 TRP N N 54 112.748 112.748 118.490 -5.742 18389 1180 1 2 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.721 -0.342 18389 1181 1 2 . 1 1 54 54 TRP C C 54 171.085 171.085 174.306 -3.221 18389 1182 1 2 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.731 -3.471 18389 1183 1 2 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.261 -2.286 18389 1184 1 2 . 1 1 54 54 TRP H H 54 6.406 6.406 7.449 -1.043 18389 1185 1 2 . 1 1 55 55 GLY N N 55 108.552 108.552 110.116 -1.564 18389 1186 1 2 . 1 1 55 55 GLY C C 55 168.023 168.023 171.897 -3.874 18389 1187 1 2 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.438 -1.990 18389 1188 1 2 . 1 1 55 55 GLY H H 55 8.689 8.689 8.707 -0.018 18389 1189 1 2 . 1 1 56 56 THR N N 56 113.376 113.376 115.296 -1.920 18389 1190 1 2 . 1 1 56 56 THR HA H 56 5.868 5.868 4.713 1.155 18389 1191 1 2 . 1 1 56 56 THR C C 56 170.376 170.376 172.987 -2.611 18389 1192 1 2 . 1 1 56 56 THR CA C 56 57.238 57.238 62.251 -5.013 18389 1193 1 2 . 1 1 56 56 THR CB C 56 69.053 69.053 72.346 -3.293 18389 1194 1 2 . 1 1 56 56 THR H H 56 9.518 9.518 8.036 1.482 18389 1195 1 2 . 1 1 57 57 VAL N N 57 123.361 123.361 122.059 1.302 18389 1196 1 2 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.575 0.878 18389 1197 1 2 . 1 1 57 57 VAL C C 57 169.082 169.082 173.841 -4.759 18389 1198 1 2 . 1 1 57 57 VAL CA C 57 56.049 56.049 60.846 -4.797 18389 1199 1 2 . 1 1 57 57 VAL CB C 57 33.347 33.347 36.198 -2.851 18389 1200 1 2 . 1 1 57 57 VAL H H 57 8.956 8.956 8.538 0.418 18389 1201 1 2 . 1 1 58 58 TYR N N 58 131.224 131.224 124.678 6.546 18389 1202 1 2 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.276 -0.700 18389 1203 1 2 . 1 1 58 58 TYR C C 58 172.050 172.050 173.613 -1.563 18389 1204 1 2 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.825 -5.243 18389 1205 1 2 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.473 -6.512 18389 1206 1 2 . 1 1 58 58 TYR H H 58 8.641 8.641 8.566 0.075 18389 1207 1 2 . 1 1 59 59 SER N N 59 123.126 123.126 124.346 -1.220 18389 1208 1 2 . 1 1 59 59 SER HA H 59 4.304 4.304 4.817 -0.513 18389 1209 1 2 . 1 1 59 59 SER C C 59 170.891 170.891 174.270 -3.379 18389 1210 1 2 . 1 1 59 59 SER CA C 59 55.452 55.452 56.897 -1.445 18389 1211 1 2 . 1 1 59 59 SER CB C 59 60.048 60.048 63.738 -3.690 18389 1212 1 2 . 1 1 59 59 SER H H 59 8.217 8.217 8.936 -0.719 18389 1213 1 2 . 1 1 60 60 LEU N N 60 126.809 126.809 130.194 -3.385 18389 1214 1 2 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.847 -0.594 18389 1215 1 2 . 1 1 60 60 LEU C C 60 173.994 173.994 176.891 -2.897 18389 1216 1 2 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.633 -3.583 18389 1217 1 2 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.007 -2.650 18389 1218 1 2 . 1 1 60 60 LEU H H 60 7.838 7.838 8.849 -1.011 18389 1219 1 2 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.465 0.108 18389 1220 1 2 . 1 1 61 61 PRO C C 61 173.514 173.514 176.076 -2.562 18389 1221 1 2 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.602 -3.350 18389 1222 1 2 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.025 -2.710 18389 1223 1 2 . 1 1 62 62 ASP N N 62 115.943 115.943 116.338 -0.395 18389 1224 1 2 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.765 0.074 18389 1225 1 2 . 1 1 62 62 ASP C C 62 172.949 172.949 175.340 -2.391 18389 1226 1 2 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.356 -2.650 18389 1227 1 2 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.844 -2.813 18389 1228 1 2 . 1 1 62 62 ASP H H 62 7.018 7.018 8.034 -1.016 18389 1229 1 2 . 1 1 63 63 GLY N N 63 112.680 112.680 108.759 3.921 18389 1230 1 2 . 1 1 63 63 GLY C C 63 170.273 170.273 172.916 -2.643 18389 1231 1 2 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.326 -1.325 18389 1232 1 2 . 1 1 63 63 GLY H H 63 8.417 8.417 8.721 -0.304 18389 1233 1 2 . 1 1 64 64 ASP N N 64 115.221 115.221 121.574 -6.353 18389 1234 1 2 . 1 1 64 64 ASP HA H 64 5.293 5.293 5.214 0.079 18389 1235 1 2 . 1 1 64 64 ASP C C 64 174.354 174.354 175.142 -0.788 18389 1236 1 2 . 1 1 64 64 ASP CA C 64 50.267 50.267 51.952 -1.685 18389 1237 1 2 . 1 1 64 64 ASP CB C 64 37.340 37.340 40.935 -3.595 18389 1238 1 2 . 1 1 64 64 ASP H H 64 7.766 7.766 7.863 -0.097 18389 1239 1 2 . 1 1 65 65 TRP N N 65 130.747 130.747 122.885 7.862 18389 1240 1 2 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.968 0.463 18389 1241 1 2 . 1 1 65 65 TRP C C 65 173.930 173.930 177.440 -3.510 18389 1242 1 2 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.231 -4.187 18389 1243 1 2 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.662 -3.055 18389 1244 1 2 . 1 1 65 65 TRP H H 65 9.687 9.687 8.596 1.091 18389 1245 1 2 . 1 1 66 66 SER N N 66 114.151 114.151 115.566 -1.415 18389 1246 1 2 . 1 1 66 66 SER HA H 66 4.041 4.041 3.996 0.045 18389 1247 1 2 . 1 1 66 66 SER CA C 66 59.812 59.812 60.717 -0.905 18389 1248 1 2 . 1 1 66 66 SER CB C 66 60.892 60.892 62.731 -1.839 18389 1249 1 2 . 1 1 66 66 SER H H 66 8.568 8.568 7.785 0.783 18389 1250 1 2 . 1 1 70 70 LYS N N 70 117.090 117.090 117.096 -0.006 18389 1251 1 2 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.931 -0.533 18389 1252 1 2 . 1 1 70 70 LYS C C 70 170.030 170.030 174.747 -4.717 18389 1253 1 2 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.456 -3.596 18389 1254 1 2 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.602 -1.646 18389 1255 1 2 . 1 1 70 70 LYS H H 70 8.308 8.308 8.151 0.157 18389 1256 1 2 . 1 1 71 71 ILE N N 71 118.764 118.764 120.675 -1.911 18389 1257 1 2 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.600 0.614 18389 1258 1 2 . 1 1 71 71 ILE C C 71 169.396 169.396 173.860 -4.464 18389 1259 1 2 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.017 -3.684 18389 1260 1 2 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.270 -1.623 18389 1261 1 2 . 1 1 71 71 ILE H H 71 7.816 7.816 8.609 -0.793 18389 1262 1 2 . 1 1 72 72 SER N N 72 120.952 120.952 118.052 2.900 18389 1263 1 2 . 1 1 72 72 SER HA H 72 5.852 5.852 4.921 0.931 18389 1264 1 2 . 1 1 72 72 SER C C 72 170.208 170.208 172.620 -2.412 18389 1265 1 2 . 1 1 72 72 SER CA C 72 52.457 52.457 56.654 -4.197 18389 1266 1 2 . 1 1 72 72 SER CB C 72 64.125 64.125 64.756 -0.631 18389 1267 1 2 . 1 1 72 72 SER H H 72 9.237 9.237 8.517 0.720 18389 1268 1 2 . 1 1 73 73 PHE N N 73 117.161 117.161 121.572 -4.411 18389 1269 1 2 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.398 -0.027 18389 1270 1 2 . 1 1 73 73 PHE C C 73 170.381 170.381 173.416 -3.035 18389 1271 1 2 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.117 -1.320 18389 1272 1 2 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.632 -3.060 18389 1273 1 2 . 1 1 73 73 PHE H H 73 8.093 8.093 7.706 0.387 18389 1274 1 2 . 1 1 74 74 ASP N N 74 120.210 120.210 121.402 -1.192 18389 1275 1 2 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.296 0.858 18389 1276 1 2 . 1 1 74 74 ASP C C 74 173.653 173.653 174.483 -0.830 18389 1277 1 2 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.733 -2.837 18389 1278 1 2 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.497 -2.010 18389 1279 1 2 . 1 1 74 74 ASP H H 74 8.993 8.993 9.008 -0.015 18389 1280 1 2 . 1 1 75 75 ILE N N 75 121.051 121.051 125.787 -4.736 18389 1281 1 2 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.031 1.222 18389 1282 1 2 . 1 1 75 75 ILE C C 75 171.229 171.229 172.965 -1.736 18389 1283 1 2 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.644 -2.123 18389 1284 1 2 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.110 0.411 18389 1285 1 2 . 1 1 75 75 ILE H H 75 9.681 9.681 7.687 1.994 18389 1286 1 2 . 1 1 76 76 LYS N N 76 124.693 124.693 126.259 -1.566 18389 1287 1 2 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.933 -0.102 18389 1288 1 2 . 1 1 76 76 LYS C C 76 172.283 172.283 174.301 -2.018 18389 1289 1 2 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.474 -1.072 18389 1290 1 2 . 1 1 76 76 LYS CB C 76 32.722 32.722 34.993 -2.271 18389 1291 1 2 . 1 1 76 76 LYS H H 76 8.454 8.454 8.634 -0.180 18389 1292 1 2 . 1 1 77 77 SER N N 77 118.916 118.916 115.449 3.467 18389 1293 1 2 . 1 1 77 77 SER HA H 77 4.816 4.816 4.685 0.131 18389 1294 1 2 . 1 1 77 77 SER C C 77 172.741 172.741 174.994 -2.253 18389 1295 1 2 . 1 1 77 77 SER CA C 77 55.341 55.341 59.179 -3.838 18389 1296 1 2 . 1 1 77 77 SER CB C 77 61.792 61.792 64.495 -2.703 18389 1297 1 2 . 1 1 77 77 SER H H 77 9.236 9.236 8.828 0.408 18389 1298 1 2 . 1 1 78 78 VAL N N 78 120.723 120.723 125.633 -4.910 18389 1299 1 2 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.297 0.037 18389 1300 1 2 . 1 1 78 78 VAL C C 78 172.941 172.941 175.808 -2.867 18389 1301 1 2 . 1 1 78 78 VAL CA C 78 59.795 59.795 62.508 -2.713 18389 1302 1 2 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.367 -2.099 18389 1303 1 2 . 1 1 78 78 VAL H H 78 8.132 8.132 8.431 -0.299 18389 1304 1 2 . 1 1 79 79 ASP N N 79 119.240 119.240 120.335 -1.095 18389 1305 1 2 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.557 0.184 18389 1306 1 2 . 1 1 79 79 ASP C C 79 174.199 174.199 177.448 -3.249 18389 1307 1 2 . 1 1 79 79 ASP CA C 79 51.112 51.112 53.821 -2.709 18389 1308 1 2 . 1 1 79 79 ASP CB C 79 39.073 39.073 40.819 -1.746 18389 1309 1 2 . 1 1 79 79 ASP H H 79 8.190 8.190 7.561 0.629 18389 1310 1 2 . 1 1 80 80 GLY N N 80 108.323 108.323 107.678 0.645 18389 1311 1 2 . 1 1 80 80 GLY C C 80 171.858 171.858 174.779 -2.921 18389 1312 1 2 . 1 1 80 80 GLY CA C 80 43.103 43.103 44.732 -1.629 18389 1313 1 2 . 1 1 80 80 GLY H H 80 8.275 8.275 8.169 0.106 18389 1314 1 2 . 1 1 81 81 SER N N 81 116.291 116.291 116.036 0.255 18389 1315 1 2 . 1 1 81 81 SER HA H 81 4.588 4.588 4.461 0.127 18389 1316 1 2 . 1 1 81 81 SER C C 81 171.588 171.588 174.097 -2.509 18389 1317 1 2 . 1 1 81 81 SER CA C 81 55.552 55.552 57.702 -2.150 18389 1318 1 2 . 1 1 81 81 SER CB C 81 61.910 61.910 64.195 -2.285 18389 1319 1 2 . 1 1 81 81 SER H H 81 8.201 8.201 8.167 0.034 18389 1320 1 2 . 1 1 82 82 ALA N N 82 128.019 128.019 123.612 4.407 18389 1321 1 2 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.828 0.134 18389 1322 1 2 . 1 1 82 82 ALA C C 82 173.332 173.332 176.698 -3.366 18389 1323 1 2 . 1 1 82 82 ALA CA C 82 49.079 49.079 50.788 -1.710 18389 1324 1 2 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.735 -3.165 18389 1325 1 2 . 1 1 82 82 ALA H H 82 8.613 8.613 8.428 0.185 18389 1326 1 2 . 1 1 83 83 ASN N N 83 119.651 119.651 118.829 0.822 18389 1327 1 2 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.590 0.472 18389 1328 1 2 . 1 1 83 83 ASN C C 83 170.848 170.848 174.766 -3.918 18389 1329 1 2 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.611 -1.851 18389 1330 1 2 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.244 -0.455 18389 1331 1 2 . 1 1 83 83 ASN H H 83 8.153 8.153 7.752 0.402 18389 1332 1 2 . 1 1 84 84 GLU N N 84 127.150 127.150 120.625 6.525 18389 1333 1 2 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.512 0.200 18389 1334 1 2 . 1 1 84 84 GLU C C 84 171.647 171.647 175.796 -4.149 18389 1335 1 2 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.314 -1.542 18389 1336 1 2 . 1 1 84 84 GLU CB C 84 28.701 28.701 29.952 -1.251 18389 1337 1 2 . 1 1 84 84 GLU H H 84 8.122 8.122 8.486 -0.364 18389 1338 1 2 . 1 1 85 85 ILE N N 85 117.590 117.590 119.521 -1.931 18389 1339 1 2 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.797 -0.164 18389 1340 1 2 . 1 1 85 85 ILE C C 85 171.902 171.902 173.436 -1.534 18389 1341 1 2 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.016 -0.985 18389 1342 1 2 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.750 -1.498 18389 1343 1 2 . 1 1 85 85 ILE H H 85 8.910 8.910 8.700 0.210 18389 1344 1 2 . 1 1 86 86 ARG N N 86 116.697 116.697 117.154 -0.457 18389 1345 1 2 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.887 0.509 18389 1346 1 2 . 1 1 86 86 ARG C C 86 171.787 171.787 175.625 -3.838 18389 1347 1 2 . 1 1 86 86 ARG CA C 86 53.115 53.115 53.687 -0.572 18389 1348 1 2 . 1 1 86 86 ARG CB C 86 32.062 32.062 32.960 -0.898 18389 1349 1 2 . 1 1 86 86 ARG H H 86 9.149 9.149 7.985 1.164 18389 1350 1 2 . 1 1 87 87 PHE N N 87 123.607 123.607 120.916 2.691 18389 1351 1 2 . 1 1 87 87 PHE HA H 87 5.488 5.488 4.681 0.807 18389 1352 1 2 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.971 -2.154 18389 1353 1 2 . 1 1 87 87 PHE CB C 87 40.112 40.112 39.731 0.381 18389 1354 1 2 . 1 1 87 87 PHE H H 87 9.235 9.235 8.689 0.546 18389 1355 1 2 . 1 1 88 88 MET N N 88 129.893 129.893 121.579 8.314 18389 1356 1 2 . 1 1 88 88 MET HA H 88 5.836 5.836 5.754 0.082 18389 1357 1 2 . 1 1 88 88 MET C C 88 170.768 170.768 174.378 -3.610 18389 1358 1 2 . 1 1 88 88 MET CA C 88 51.118 51.118 54.369 -3.251 18389 1359 1 2 . 1 1 88 88 MET CB C 88 37.224 37.224 37.237 -0.013 18389 1360 1 2 . 1 1 88 88 MET H H 88 8.868 8.868 8.778 0.090 18389 1361 1 2 . 1 1 89 89 ILE N N 89 124.630 124.630 123.328 1.302 18389 1362 1 2 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.021 -0.483 18389 1363 1 2 . 1 1 89 89 ILE C C 89 171.047 171.047 173.805 -2.758 18389 1364 1 2 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.790 -1.819 18389 1365 1 2 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.816 -3.896 18389 1366 1 2 . 1 1 89 89 ILE H H 89 9.258 9.258 9.309 -0.051 18389 1367 1 2 . 1 1 90 90 ALA N N 90 128.743 128.743 127.675 1.068 18389 1368 1 2 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.597 0.069 18389 1369 1 2 . 1 1 90 90 ALA C C 90 176.041 176.041 176.011 0.030 18389 1370 1 2 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.524 -2.703 18389 1371 1 2 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.691 -3.360 18389 1372 1 2 . 1 1 90 90 ALA H H 90 8.749 8.749 9.109 -0.360 18389 1373 1 2 . 1 1 91 91 GLU N N 91 121.616 121.616 124.908 -3.292 18389 1374 1 2 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.582 0.136 18389 1375 1 2 . 1 1 91 91 GLU C C 91 174.217 174.217 176.429 -2.212 18389 1376 1 2 . 1 1 91 91 GLU CA C 91 53.143 53.143 54.598 -1.455 18389 1377 1 2 . 1 1 91 91 GLU CB C 91 29.847 29.847 32.801 -2.954 18389 1378 1 2 . 1 1 91 91 GLU H H 91 8.749 8.749 8.860 -0.111 18389 1379 1 2 . 1 1 92 92 LYS N N 92 117.975 117.975 122.867 -4.892 18389 1380 1 2 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.369 0.000 18389 1381 1 2 . 1 1 92 92 LYS C C 92 174.743 174.743 176.966 -2.223 18389 1382 1 2 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.751 -2.391 18389 1383 1 2 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.187 -2.531 18389 1384 1 2 . 1 1 92 92 LYS H H 92 8.014 8.014 8.422 -0.408 18389 1385 1 2 . 1 1 93 93 SER N N 93 115.092 115.092 118.410 -3.318 18389 1386 1 2 . 1 1 93 93 SER HA H 93 4.215 4.215 4.557 -0.342 18389 1387 1 2 . 1 1 93 93 SER C C 93 174.964 174.964 176.902 -1.938 18389 1388 1 2 . 1 1 93 93 SER CA C 93 53.874 53.874 57.702 -3.828 18389 1389 1 2 . 1 1 93 93 SER CB C 93 61.736 61.736 63.837 -2.100 18389 1390 1 2 . 1 1 93 93 SER H H 93 8.083 8.083 8.848 -0.765 18389 1391 1 2 . 1 1 94 94 ILE N N 94 121.880 121.880 123.848 -1.968 18389 1392 1 2 . 1 1 94 94 ILE HA H 94 4.386 4.386 3.906 0.480 18389 1393 1 2 . 1 1 94 94 ILE C C 94 174.020 174.020 176.398 -2.378 18389 1394 1 2 . 1 1 94 94 ILE CA C 94 60.345 60.345 63.357 -3.012 18389 1395 1 2 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.782 -1.781 18389 1396 1 2 . 1 1 94 94 ILE H H 94 9.150 9.150 9.017 0.133 18389 1397 1 2 . 1 1 95 95 ASN N N 95 117.349 117.349 118.569 -1.220 18389 1398 1 2 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.748 0.307 18389 1399 1 2 . 1 1 95 95 ASN C C 95 173.659 173.659 176.251 -2.592 18389 1400 1 2 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.241 -3.854 18389 1401 1 2 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.788 -2.122 18389 1402 1 2 . 1 1 95 95 ASN H H 95 8.163 8.163 8.088 0.075 18389 1403 1 2 . 1 1 96 96 GLY N N 96 106.957 106.957 108.571 -1.614 18389 1404 1 2 . 1 1 96 96 GLY C C 96 170.704 170.704 173.992 -3.288 18389 1405 1 2 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.793 -2.474 18389 1406 1 2 . 1 1 96 96 GLY H H 96 7.530 7.530 7.885 -0.355 18389 1407 1 2 . 1 1 97 97 VAL N N 97 119.393 119.393 121.534 -2.141 18389 1408 1 2 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.241 0.113 18389 1409 1 2 . 1 1 97 97 VAL C C 97 173.622 173.622 176.335 -2.713 18389 1410 1 2 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.427 -2.285 18389 1411 1 2 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.189 -2.418 18389 1412 1 2 . 1 1 97 97 VAL H H 97 7.650 7.650 7.426 0.224 18389 1413 1 2 . 1 1 98 98 GLY N N 98 115.075 115.075 114.426 0.649 18389 1414 1 2 . 1 1 98 98 GLY C C 98 170.065 170.065 173.532 -3.467 18389 1415 1 2 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.188 -2.449 18389 1416 1 2 . 1 1 98 98 GLY H H 98 8.712 8.712 8.707 0.005 18389 1417 1 2 . 1 1 99 99 ASP N N 99 119.064 119.064 122.241 -3.177 18389 1418 1 2 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.977 -0.302 18389 1419 1 2 . 1 1 99 99 ASP C C 99 172.502 172.502 175.758 -3.256 18389 1420 1 2 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.597 -3.016 18389 1421 1 2 . 1 1 99 99 ASP CB C 99 39.195 39.195 43.557 -4.362 18389 1422 1 2 . 1 1 99 99 ASP H H 99 8.746 8.746 8.102 0.644 18389 1423 1 2 . 1 1 100 100 GLY N N 100 109.333 109.333 107.103 2.230 18389 1424 1 2 . 1 1 100 100 GLY C C 100 167.638 167.638 173.846 -6.208 18389 1425 1 2 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.597 -5.488 18389 1426 1 2 . 1 1 100 100 GLY H H 100 8.285 8.285 8.928 -0.643 18389 1427 1 2 . 1 1 101 101 GLU N N 101 120.835 120.835 118.776 2.059 18389 1428 1 2 . 1 1 101 101 GLU HA H 101 4.727 4.727 5.062 -0.335 18389 1429 1 2 . 1 1 101 101 GLU C C 101 173.652 173.652 175.073 -1.421 18389 1430 1 2 . 1 1 101 101 GLU CA C 101 55.449 55.449 55.094 0.355 18389 1431 1 2 . 1 1 101 101 GLU CB C 101 31.014 31.014 34.335 -3.321 18389 1432 1 2 . 1 1 101 101 GLU H H 101 8.339 8.339 7.767 0.572 18389 1433 1 2 . 1 1 102 102 HIS N N 102 126.597 126.597 120.355 6.242 18389 1434 1 2 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.281 0.125 18389 1435 1 2 . 1 1 102 102 HIS C C 102 174.479 174.479 174.300 0.179 18389 1436 1 2 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.453 -1.541 18389 1437 1 2 . 1 1 102 102 HIS CB C 102 33.756 33.756 32.270 1.486 18389 1438 1 2 . 1 1 102 102 HIS H H 102 10.029 10.029 9.264 0.765 18389 1439 1 2 . 1 1 103 103 TRP N N 103 125.616 125.616 124.050 1.566 18389 1440 1 2 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.486 -0.455 18389 1441 1 2 . 1 1 103 103 TRP C C 103 173.236 173.236 174.898 -1.662 18389 1442 1 2 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.432 -1.599 18389 1443 1 2 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.797 -3.607 18389 1444 1 2 . 1 1 103 103 TRP H H 103 9.242 9.242 9.326 -0.084 18389 1445 1 2 . 1 1 104 104 VAL N N 104 114.086 114.086 116.190 -2.104 18389 1446 1 2 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.573 0.560 18389 1447 1 2 . 1 1 104 104 VAL C C 104 173.194 173.194 173.405 -0.211 18389 1448 1 2 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.404 -2.075 18389 1449 1 2 . 1 1 104 104 VAL CB C 104 35.443 35.443 36.147 -0.704 18389 1450 1 2 . 1 1 104 104 VAL H H 104 10.273 10.273 9.589 0.684 18389 1451 1 2 . 1 1 105 105 TYR N N 105 123.278 123.278 124.647 -1.369 18389 1452 1 2 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.646 0.014 18389 1453 1 2 . 1 1 105 105 TYR C C 105 172.030 172.030 173.240 -1.210 18389 1454 1 2 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.883 -0.161 18389 1455 1 2 . 1 1 105 105 TYR CB C 105 40.973 40.973 39.781 1.192 18389 1456 1 2 . 1 1 105 105 TYR H H 105 9.219 9.219 8.831 0.388 18389 1457 1 2 . 1 1 106 106 SER N N 106 123.619 123.619 124.985 -1.366 18389 1458 1 2 . 1 1 106 106 SER HA H 106 5.226 5.226 4.504 0.722 18389 1459 1 2 . 1 1 106 106 SER C C 106 170.291 170.291 172.835 -2.544 18389 1460 1 2 . 1 1 106 106 SER CA C 106 56.800 56.800 57.761 -0.961 18389 1461 1 2 . 1 1 106 106 SER CB C 106 61.265 61.265 63.715 -2.450 18389 1462 1 2 . 1 1 106 106 SER H H 106 7.768 7.768 8.317 -0.549 18389 1463 1 2 . 1 1 107 107 ILE N N 107 120.192 120.192 125.023 -4.831 18389 1464 1 2 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.241 0.518 18389 1465 1 2 . 1 1 107 107 ILE C C 107 171.471 171.471 173.572 -2.101 18389 1466 1 2 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.380 -2.369 18389 1467 1 2 . 1 1 107 107 ILE CB C 107 39.759 39.759 42.038 -2.280 18389 1468 1 2 . 1 1 107 107 ILE H H 107 8.942 8.942 8.575 0.367 18389 1469 1 2 . 1 1 108 108 THR N N 108 118.723 118.723 112.206 6.517 18389 1470 1 2 . 1 1 108 108 THR HA H 108 5.017 5.017 5.238 -0.221 18389 1471 1 2 . 1 1 108 108 THR C C 108 170.359 170.359 172.443 -2.084 18389 1472 1 2 . 1 1 108 108 THR CA C 108 56.686 56.686 58.706 -2.020 18389 1473 1 2 . 1 1 108 108 THR CB C 108 67.488 67.488 70.605 -3.117 18389 1474 1 2 . 1 1 108 108 THR H H 108 8.718 8.718 7.885 0.833 18389 1475 1 2 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.630 -0.220 18389 1476 1 2 . 1 1 109 109 PRO C C 109 171.443 171.443 175.962 -4.519 18389 1477 1 2 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.720 -2.896 18389 1478 1 2 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.003 -3.025 18389 1479 1 2 . 1 1 110 110 ASP N N 110 122.785 122.785 121.358 1.427 18389 1480 1 2 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.743 0.405 18389 1481 1 2 . 1 1 110 110 ASP C C 110 174.113 174.113 176.831 -2.718 18389 1482 1 2 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.578 -3.522 18389 1483 1 2 . 1 1 110 110 ASP CB C 110 40.689 40.689 42.680 -1.991 18389 1484 1 2 . 1 1 110 110 ASP H H 110 9.061 9.061 8.625 0.436 18389 1485 1 2 . 1 1 111 111 SER N N 111 112.595 112.595 113.785 -1.190 18389 1486 1 2 . 1 1 111 111 SER HA H 111 4.432 4.432 4.777 -0.345 18389 1487 1 2 . 1 1 111 111 SER CA C 111 58.333 58.333 58.406 -0.072 18389 1488 1 2 . 1 1 111 111 SER CB C 111 61.046 61.046 64.301 -3.255 18389 1489 1 2 . 1 1 111 111 SER H H 111 8.435 8.435 8.508 -0.073 18389 1490 1 2 . 1 1 112 112 SER N N 112 116.615 116.615 115.923 0.692 18389 1491 1 2 . 1 1 112 112 SER HA H 112 4.862 4.862 4.680 0.182 18389 1492 1 2 . 1 1 112 112 SER C C 112 170.519 170.519 173.042 -2.523 18389 1493 1 2 . 1 1 112 112 SER CA C 112 54.017 54.017 57.247 -3.230 18389 1494 1 2 . 1 1 112 112 SER CB C 112 62.948 62.948 64.947 -1.999 18389 1495 1 2 . 1 1 112 112 SER H H 112 8.035 8.035 7.859 0.176 18389 1496 1 2 . 1 1 113 113 TRP N N 113 120.576 120.576 125.763 -5.187 18389 1497 1 2 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.718 -0.164 18389 1498 1 2 . 1 1 113 113 TRP C C 113 174.599 174.599 175.049 -0.450 18389 1499 1 2 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.316 -0.433 18389 1500 1 2 . 1 1 113 113 TRP CB C 113 27.360 27.360 28.860 -1.500 18389 1501 1 2 . 1 1 113 113 TRP H H 113 8.318 8.318 8.569 -0.251 18389 1502 1 2 . 1 1 114 114 LYS N N 114 123.372 123.372 127.688 -4.316 18389 1503 1 2 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.665 0.229 18389 1504 1 2 . 1 1 114 114 LYS C C 114 172.772 172.772 174.794 -2.022 18389 1505 1 2 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.670 -1.722 18389 1506 1 2 . 1 1 114 114 LYS CB C 114 34.250 34.250 36.824 -2.574 18389 1507 1 2 . 1 1 114 114 LYS H H 114 8.782 8.782 8.457 0.325 18389 1508 1 2 . 1 1 115 115 THR N N 115 120.929 120.929 119.042 1.887 18389 1509 1 2 . 1 1 115 115 THR HA H 115 5.226 5.226 4.692 0.534 18389 1510 1 2 . 1 1 115 115 THR C C 115 171.778 171.778 174.886 -3.108 18389 1511 1 2 . 1 1 115 115 THR CA C 115 59.671 59.671 62.018 -2.347 18389 1512 1 2 . 1 1 115 115 THR CB C 115 66.938 66.938 68.569 -1.630 18389 1513 1 2 . 1 1 115 115 THR H H 115 8.689 8.689 8.499 0.190 18389 1514 1 2 . 1 1 116 116 ILE N N 116 131.929 131.929 129.159 2.770 18389 1515 1 2 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.204 -0.020 18389 1516 1 2 . 1 1 116 116 ILE C C 116 171.012 171.012 175.126 -4.114 18389 1517 1 2 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.541 -4.184 18389 1518 1 2 . 1 1 116 116 ILE CB C 116 34.331 34.331 36.721 -2.390 18389 1519 1 2 . 1 1 116 116 ILE H H 116 9.470 9.470 9.032 0.438 18389 1520 1 2 . 1 1 117 117 GLU N N 117 124.514 124.514 127.215 -2.701 18389 1521 1 2 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.633 0.237 18389 1522 1 2 . 1 1 117 117 GLU C C 117 173.332 173.332 175.844 -2.512 18389 1523 1 2 . 1 1 117 117 GLU CA C 117 51.798 51.798 55.637 -3.839 18389 1524 1 2 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.673 0.020 18389 1525 1 2 . 1 1 117 117 GLU H H 117 8.089 8.089 8.180 -0.091 18389 1526 1 2 . 1 1 118 118 ILE N N 118 125.005 125.005 124.709 0.296 18389 1527 1 2 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.433 -0.010 18389 1528 1 2 . 1 1 118 118 ILE C C 118 171.765 171.765 173.254 -1.489 18389 1529 1 2 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.111 -2.471 18389 1530 1 2 . 1 1 118 118 ILE CB C 118 37.429 37.429 40.871 -3.442 18389 1531 1 2 . 1 1 118 118 ILE H H 118 9.322 9.322 8.818 0.504 18389 1532 1 2 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.997 -0.160 18389 1533 1 2 . 1 1 119 119 PRO C C 119 176.780 176.780 178.477 -1.697 18389 1534 1 2 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.700 -2.296 18389 1535 1 2 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.422 -3.357 18389 1536 1 2 . 1 1 120 120 PHE N N 120 124.627 124.627 118.210 6.417 18389 1537 1 2 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.408 0.586 18389 1538 1 2 . 1 1 120 120 PHE C C 120 175.402 175.402 177.377 -1.975 18389 1539 1 2 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.238 -0.966 18389 1540 1 2 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.772 -2.527 18389 1541 1 2 . 1 1 120 120 PHE H H 120 8.160 8.160 7.898 0.262 18389 1542 1 2 . 1 1 121 121 SER N N 121 110.551 110.551 116.233 -5.682 18389 1543 1 2 . 1 1 121 121 SER HA H 121 4.647 4.647 4.303 0.344 18389 1544 1 2 . 1 1 121 121 SER C C 121 173.187 173.187 175.541 -2.354 18389 1545 1 2 . 1 1 121 121 SER CA C 121 57.359 57.359 60.716 -3.357 18389 1546 1 2 . 1 1 121 121 SER CB C 121 60.639 60.639 62.745 -2.106 18389 1547 1 2 . 1 1 121 121 SER H H 121 8.367 8.367 8.197 0.170 18389 1548 1 2 . 1 1 122 122 SER N N 122 117.166 117.166 115.803 1.363 18389 1549 1 2 . 1 1 122 122 SER HA H 122 4.946 4.946 4.690 0.256 18389 1550 1 2 . 1 1 122 122 SER C C 122 172.296 172.296 174.033 -1.737 18389 1551 1 2 . 1 1 122 122 SER CA C 122 57.525 57.525 58.818 -1.293 18389 1552 1 2 . 1 1 122 122 SER CB C 122 61.716 61.716 64.453 -2.737 18389 1553 1 2 . 1 1 122 122 SER H H 122 8.537 8.537 7.681 0.856 18389 1554 1 2 . 1 1 123 123 PHE N N 123 119.840 119.840 122.525 -2.685 18389 1555 1 2 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.839 -0.192 18389 1556 1 2 . 1 1 123 123 PHE C C 123 173.527 173.527 175.960 -2.433 18389 1557 1 2 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.882 -1.103 18389 1558 1 2 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.258 -1.711 18389 1559 1 2 . 1 1 123 123 PHE H H 123 7.807 7.807 7.723 0.084 18389 1560 1 2 . 1 1 124 124 ARG N N 124 120.098 120.098 120.703 -0.605 18389 1561 1 2 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.014 0.327 18389 1562 1 2 . 1 1 124 124 ARG C C 124 172.631 172.631 174.867 -2.236 18389 1563 1 2 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.355 -2.030 18389 1564 1 2 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.812 -3.091 18389 1565 1 2 . 1 1 124 124 ARG H H 124 9.297 9.297 9.421 -0.124 18389 1566 1 2 . 1 1 125 125 ARG N N 125 126.739 126.739 121.721 5.018 18389 1567 1 2 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.568 -0.606 18389 1568 1 2 . 1 1 125 125 ARG C C 125 174.319 174.319 176.082 -1.763 18389 1569 1 2 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.634 -0.598 18389 1570 1 2 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.382 -3.034 18389 1571 1 2 . 1 1 125 125 ARG H H 125 8.611 8.611 8.359 0.252 18389 1572 1 2 . 1 1 126 126 ARG N N 126 126.556 126.556 124.933 1.623 18389 1573 1 2 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.233 -0.269 18389 1574 1 2 . 1 1 126 126 ARG C C 126 174.021 174.021 175.515 -1.494 18389 1575 1 2 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.820 -1.282 18389 1576 1 2 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.611 -0.872 18389 1577 1 2 . 1 1 126 126 ARG H H 126 7.917 7.917 8.343 -0.426 18389 1578 1 2 . 1 1 127 127 LEU N N 127 124.550 124.550 125.610 -1.060 18389 1579 1 2 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.422 0.232 18389 1580 1 2 . 1 1 127 127 LEU C C 127 175.775 175.775 177.325 -1.550 18389 1581 1 2 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.785 -2.578 18389 1582 1 2 . 1 1 127 127 LEU CB C 127 41.378 41.378 41.756 -0.378 18389 1583 1 2 . 1 1 127 127 LEU H H 127 8.817 8.817 8.387 0.430 18389 1584 1 2 . 1 1 128 128 ASP N N 128 116.209 116.209 118.530 -2.321 18389 1585 1 2 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.462 0.087 18389 1586 1 2 . 1 1 128 128 ASP C C 128 172.491 172.491 175.236 -2.745 18389 1587 1 2 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.750 -3.258 18389 1588 1 2 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.122 -4.540 18389 1589 1 2 . 1 1 128 128 ASP H H 128 9.072 9.072 8.239 0.833 18389 1590 1 2 . 1 1 129 129 TYR N N 129 119.329 119.329 118.133 1.196 18389 1591 1 2 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.647 -0.294 18389 1592 1 2 . 1 1 129 129 TYR C C 129 169.992 169.992 173.153 -3.161 18389 1593 1 2 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.225 -0.880 18389 1594 1 2 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.320 -1.873 18389 1595 1 2 . 1 1 129 129 TYR H H 129 7.002 7.002 7.450 -0.448 18389 1596 1 2 . 1 1 130 130 GLN N N 130 121.469 121.469 122.964 -1.495 18389 1597 1 2 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.135 -0.226 18389 1598 1 2 . 1 1 130 130 GLN C C 130 170.223 170.223 172.677 -2.454 18389 1599 1 2 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.361 -2.572 18389 1600 1 2 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.483 -1.858 18389 1601 1 2 . 1 1 130 130 GLN H H 130 6.288 6.288 7.713 -1.425 18389 1602 1 2 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.216 0.194 18389 1603 1 2 . 1 1 132 132 PRO C C 132 175.720 175.720 177.547 -1.827 18389 1604 1 2 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.366 -2.293 18389 1605 1 2 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.770 -2.655 18389 1606 1 2 . 1 1 133 133 GLY N N 133 104.558 104.558 108.356 -3.798 18389 1607 1 2 . 1 1 133 133 GLY C C 133 171.229 171.229 174.019 -2.790 18389 1608 1 2 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.473 -1.958 18389 1609 1 2 . 1 1 133 133 GLY H H 133 8.298 8.298 8.686 -0.388 18389 1610 1 2 . 1 1 134 134 GLN N N 134 116.684 116.684 120.262 -3.578 18389 1611 1 2 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.284 0.083 18389 1612 1 2 . 1 1 134 134 GLN C C 134 172.815 172.815 175.231 -2.416 18389 1613 1 2 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.746 -1.942 18389 1614 1 2 . 1 1 134 134 GLN CB C 134 24.866 24.866 28.791 -3.925 18389 1615 1 2 . 1 1 134 134 GLN H H 134 7.273 7.273 7.454 -0.181 18389 1616 1 2 . 1 1 135 135 ASP N N 135 118.688 118.688 121.608 -2.920 18389 1617 1 2 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.608 -0.246 18389 1618 1 2 . 1 1 135 135 ASP C C 135 174.301 174.301 176.199 -1.898 18389 1619 1 2 . 1 1 135 135 ASP CA C 135 51.810 51.810 53.811 -2.001 18389 1620 1 2 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.707 -4.803 18389 1621 1 2 . 1 1 135 135 ASP H H 135 8.844 8.844 8.697 0.147 18389 1622 1 2 . 1 1 136 136 MET N N 136 114.721 114.721 120.894 -6.173 18389 1623 1 2 . 1 1 136 136 MET HA H 136 4.035 4.035 4.459 -0.424 18389 1624 1 2 . 1 1 136 136 MET C C 136 174.252 174.252 177.082 -2.830 18389 1625 1 2 . 1 1 136 136 MET CA C 136 54.461 54.461 55.429 -0.968 18389 1626 1 2 . 1 1 136 136 MET CB C 136 29.439 29.439 31.700 -2.261 18389 1627 1 2 . 1 1 136 136 MET H H 136 7.585 7.585 8.655 -1.070 18389 1628 1 2 . 1 1 137 137 SER N N 137 118.130 118.130 114.823 3.307 18389 1629 1 2 . 1 1 137 137 SER HA H 137 4.392 4.392 4.314 0.078 18389 1630 1 2 . 1 1 137 137 SER C C 137 174.811 174.811 175.886 -1.075 18389 1631 1 2 . 1 1 137 137 SER CA C 137 57.841 57.841 59.023 -1.183 18389 1632 1 2 . 1 1 137 137 SER CB C 137 62.369 62.369 63.251 -0.882 18389 1633 1 2 . 1 1 137 137 SER H H 137 9.140 9.140 7.772 1.368 18389 1634 1 2 . 1 1 138 138 GLY N N 138 114.534 114.534 112.162 2.372 18389 1635 1 2 . 1 1 138 138 GLY C C 138 170.903 170.903 173.869 -2.966 18389 1636 1 2 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.741 -1.544 18389 1637 1 2 . 1 1 138 138 GLY H H 138 10.549 10.549 8.674 1.875 18389 1638 1 2 . 1 1 139 139 THR N N 139 112.564 112.564 114.280 -1.716 18389 1639 1 2 . 1 1 139 139 THR HA H 139 4.538 4.538 4.747 -0.209 18389 1640 1 2 . 1 1 139 139 THR C C 139 168.086 168.086 172.696 -4.610 18389 1641 1 2 . 1 1 139 139 THR CA C 139 57.132 57.132 60.121 -2.989 18389 1642 1 2 . 1 1 139 139 THR CB C 139 68.854 68.854 72.396 -3.542 18389 1643 1 2 . 1 1 139 139 THR H H 139 8.504 8.504 7.795 0.710 18389 1644 1 2 . 1 1 140 140 LEU N N 140 129.971 129.971 120.499 9.472 18389 1645 1 2 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.401 -0.630 18389 1646 1 2 . 1 1 140 140 LEU C C 140 172.175 172.175 176.451 -4.276 18389 1647 1 2 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.502 -2.167 18389 1648 1 2 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.711 -5.839 18389 1649 1 2 . 1 1 140 140 LEU H H 140 7.900 7.900 7.567 0.333 18389 1650 1 2 . 1 1 141 141 ASP N N 141 132.200 132.200 124.048 8.152 18389 1651 1 2 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.684 0.020 18389 1652 1 2 . 1 1 141 141 ASP C C 141 172.137 172.137 176.212 -4.075 18389 1653 1 2 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.328 -1.636 18389 1654 1 2 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.434 -2.873 18389 1655 1 2 . 1 1 141 141 ASP H H 141 9.101 9.101 8.402 0.699 18389 1656 1 2 . 1 1 142 142 LEU N N 142 122.667 122.667 123.282 -0.615 18389 1657 1 2 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.738 0.002 18389 1658 1 2 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.218 -2.471 18389 1659 1 2 . 1 1 142 142 LEU CB C 142 39.898 39.898 40.608 -0.710 18389 1660 1 2 . 1 1 142 142 LEU H H 142 7.799 7.799 8.417 -0.618 18389 1661 1 2 . 1 1 143 143 ASP N N 143 112.789 112.789 117.367 -4.578 18389 1662 1 2 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.430 0.486 18389 1663 1 2 . 1 1 143 143 ASP C C 143 173.547 173.547 175.905 -2.358 18389 1664 1 2 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.381 -5.280 18389 1665 1 2 . 1 1 143 143 ASP CB C 143 37.298 37.298 41.017 -3.719 18389 1666 1 2 . 1 1 143 143 ASP H H 143 8.473 8.473 8.256 0.217 18389 1667 1 2 . 1 1 144 144 ASN N N 144 120.743 120.743 114.294 6.449 18389 1668 1 2 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.714 0.365 18389 1669 1 2 . 1 1 144 144 ASN C C 144 171.278 171.278 173.682 -2.404 18389 1670 1 2 . 1 1 144 144 ASN CA C 144 49.474 49.474 51.732 -2.258 18389 1671 1 2 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.074 -0.895 18389 1672 1 2 . 1 1 144 144 ASN H H 144 7.867 7.867 7.737 0.130 18389 1673 1 2 . 1 1 145 145 ILE N N 145 122.844 122.844 121.951 0.893 18389 1674 1 2 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.050 -0.210 18389 1675 1 2 . 1 1 145 145 ILE C C 145 172.420 172.420 175.822 -3.402 18389 1676 1 2 . 1 1 145 145 ILE CA C 145 57.861 57.861 60.138 -2.277 18389 1677 1 2 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.236 -3.829 18389 1678 1 2 . 1 1 145 145 ILE H H 145 8.770 8.770 8.060 0.710 18389 1679 1 2 . 1 1 146 146 ASP N N 146 125.428 125.428 126.909 -1.481 18389 1680 1 2 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.693 -0.040 18389 1681 1 2 . 1 1 146 146 ASP C C 146 172.931 172.931 175.633 -2.702 18389 1682 1 2 . 1 1 146 146 ASP CA C 146 53.352 53.352 56.288 -2.936 18389 1683 1 2 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.137 0.775 18389 1684 1 2 . 1 1 146 146 ASP H H 146 9.355 9.355 8.975 0.380 18389 1685 1 2 . 1 1 147 147 SER N N 147 108.442 108.442 110.402 -1.960 18389 1686 1 2 . 1 1 147 147 SER HA H 147 5.054 5.054 5.095 -0.041 18389 1687 1 2 . 1 1 147 147 SER C C 147 169.957 169.957 172.673 -2.716 18389 1688 1 2 . 1 1 147 147 SER CA C 147 54.584 54.584 57.374 -2.790 18389 1689 1 2 . 1 1 147 147 SER CB C 147 62.518 62.518 66.244 -3.726 18389 1690 1 2 . 1 1 147 147 SER H H 147 7.927 7.927 7.704 0.223 18389 1691 1 2 . 1 1 148 148 ILE N N 148 110.150 110.150 119.126 -8.976 18389 1692 1 2 . 1 1 148 148 ILE HA H 148 5.649 5.649 4.686 0.963 18389 1693 1 2 . 1 1 148 148 ILE C C 148 171.932 171.932 175.019 -3.087 18389 1694 1 2 . 1 1 148 148 ILE CA C 148 56.622 56.622 60.329 -3.707 18389 1695 1 2 . 1 1 148 148 ILE CB C 148 38.713 38.713 39.361 -0.648 18389 1696 1 2 . 1 1 148 148 ILE H H 148 8.043 8.043 8.504 -0.461 18389 1697 1 2 . 1 1 149 149 HIS N N 149 118.612 118.612 120.187 -1.575 18389 1698 1 2 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.165 1.325 18389 1699 1 2 . 1 1 149 149 HIS C C 149 174.287 174.287 174.170 0.117 18389 1700 1 2 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.808 -2.906 18389 1701 1 2 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.075 -1.117 18389 1702 1 2 . 1 1 149 149 HIS H H 149 9.331 9.331 8.784 0.547 18389 1703 1 2 . 1 1 150 150 PHE N N 150 117.037 117.037 118.732 -1.695 18389 1704 1 2 . 1 1 150 150 PHE HA H 150 5.530 5.530 5.166 0.364 18389 1705 1 2 . 1 1 150 150 PHE C C 150 172.808 172.808 174.839 -2.031 18389 1706 1 2 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.271 -0.768 18389 1707 1 2 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.852 -2.572 18389 1708 1 2 . 1 1 150 150 PHE H H 150 8.788 8.788 8.087 0.701 18389 1709 1 2 . 1 1 151 151 MET N N 151 119.781 119.781 115.032 4.749 18389 1710 1 2 . 1 1 151 151 MET HA H 151 4.664 4.664 3.332 1.332 18389 1711 1 2 . 1 1 151 151 MET C C 151 170.282 170.282 173.445 -3.163 18389 1712 1 2 . 1 1 151 151 MET CA C 151 52.146 52.146 54.220 -2.074 18389 1713 1 2 . 1 1 151 151 MET CB C 151 34.947 34.947 35.861 -0.914 18389 1714 1 2 . 1 1 151 151 MET H H 151 9.761 9.761 7.896 1.865 18389 1715 1 2 . 1 1 152 152 TYR N N 152 117.149 117.149 120.113 -2.964 18389 1716 1 2 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.799 -0.723 18389 1717 1 2 . 1 1 152 152 TYR C C 152 171.554 171.554 175.125 -3.571 18389 1718 1 2 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.201 -0.856 18389 1719 1 2 . 1 1 152 152 TYR CB C 152 36.904 36.904 35.948 0.956 18389 1720 1 2 . 1 1 152 152 TYR H H 152 6.275 6.275 7.863 -1.588 18389 1721 1 2 . 1 1 153 153 ALA N N 153 121.523 121.523 122.638 -1.115 18389 1722 1 2 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.176 -0.013 18389 1723 1 2 . 1 1 153 153 ALA C C 153 173.777 173.777 176.666 -2.889 18389 1724 1 2 . 1 1 153 153 ALA CA C 153 49.185 49.185 53.175 -3.990 18389 1725 1 2 . 1 1 153 153 ALA CB C 153 19.965 19.965 18.977 0.988 18389 1726 1 2 . 1 1 153 153 ALA H H 153 10.019 10.019 7.962 2.057 18389 1727 1 2 . 1 1 154 154 ASN N N 154 114.643 114.643 114.018 0.625 18389 1728 1 2 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.829 0.355 18389 1729 1 2 . 1 1 154 154 ASN C C 154 173.267 173.267 173.284 -0.017 18389 1730 1 2 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.577 -2.662 18389 1731 1 2 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.303 -3.591 18389 1732 1 2 . 1 1 154 154 ASN H H 154 8.141 8.141 7.653 0.488 18389 1733 1 2 . 1 1 156 156 LYS N N 156 119.099 119.099 121.058 -1.959 18389 1734 1 2 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.441 0.297 18389 1735 1 2 . 1 1 156 156 LYS C C 156 173.965 173.965 176.096 -2.131 18389 1736 1 2 . 1 1 156 156 LYS CA C 156 53.872 53.872 54.765 -0.893 18389 1737 1 2 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.743 -3.317 18389 1738 1 2 . 1 1 156 156 LYS H H 156 8.298 8.298 8.268 0.030 18389 1739 1 2 . 1 1 157 157 SER N N 157 115.584 115.584 113.704 1.880 18389 1740 1 2 . 1 1 157 157 SER HA H 157 5.055 5.055 4.770 0.285 18389 1741 1 2 . 1 1 157 157 SER C C 157 169.925 169.925 174.003 -4.078 18389 1742 1 2 . 1 1 157 157 SER CA C 157 55.617 55.617 58.400 -2.783 18389 1743 1 2 . 1 1 157 157 SER CB C 157 63.180 63.180 64.401 -1.221 18389 1744 1 2 . 1 1 157 157 SER H H 157 8.240 8.240 8.271 -0.031 18389 1745 1 2 . 1 1 158 158 GLY N N 158 108.219 108.219 109.892 -1.673 18389 1746 1 2 . 1 1 158 158 GLY C C 158 168.322 168.322 171.230 -2.908 18389 1747 1 2 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.578 -2.013 18389 1748 1 2 . 1 1 158 158 GLY H H 158 6.942 6.942 8.463 -1.521 18389 1749 1 2 . 1 1 159 159 LYS N N 159 116.608 116.608 119.666 -3.058 18389 1750 1 2 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.259 0.262 18389 1751 1 2 . 1 1 159 159 LYS C C 159 172.966 172.966 174.682 -1.716 18389 1752 1 2 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.752 -1.611 18389 1753 1 2 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.098 -1.393 18389 1754 1 2 . 1 1 159 159 LYS H H 159 7.925 7.925 7.831 0.094 18389 1755 1 2 . 1 1 160 160 PHE N N 160 121.804 121.804 121.060 0.744 18389 1756 1 2 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.163 0.362 18389 1757 1 2 . 1 1 160 160 PHE C C 160 168.125 168.125 174.026 -5.901 18389 1758 1 2 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.459 -3.144 18389 1759 1 2 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.634 -4.583 18389 1760 1 2 . 1 1 160 160 PHE H H 160 8.834 8.834 9.194 -0.360 18389 1761 1 2 . 1 1 161 161 VAL N N 161 119.787 119.787 114.544 5.243 18389 1762 1 2 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.369 0.009 18389 1763 1 2 . 1 1 161 161 VAL C C 161 170.736 170.736 174.674 -3.938 18389 1764 1 2 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.944 -3.288 18389 1765 1 2 . 1 1 161 161 VAL CB C 161 31.937 31.937 34.941 -3.004 18389 1766 1 2 . 1 1 161 161 VAL H H 161 9.277 9.277 9.242 0.035 18389 1767 1 2 . 1 1 162 162 VAL N N 162 121.357 121.357 121.618 -0.261 18389 1768 1 2 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.308 0.659 18389 1769 1 2 . 1 1 162 162 VAL C C 162 170.928 170.928 174.636 -3.708 18389 1770 1 2 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.931 -4.245 18389 1771 1 2 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.055 -1.213 18389 1772 1 2 . 1 1 162 162 VAL H H 162 8.453 8.453 9.000 -0.547 18389 1773 1 2 . 1 1 163 163 ASP N N 163 119.088 119.088 124.305 -5.217 18389 1774 1 2 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.560 0.019 18389 1775 1 2 . 1 1 163 163 ASP C C 163 172.563 172.563 174.277 -1.714 18389 1776 1 2 . 1 1 163 163 ASP CA C 163 49.482 49.482 51.849 -2.366 18389 1777 1 2 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.522 -3.059 18389 1778 1 2 . 1 1 163 163 ASP H H 163 9.233 9.233 9.017 0.216 18389 1779 1 2 . 1 1 164 164 ASN N N 164 117.316 117.316 115.414 1.902 18389 1780 1 2 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.675 -0.026 18389 1781 1 2 . 1 1 164 164 ASN C C 164 170.940 170.940 174.302 -3.362 18389 1782 1 2 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.082 -1.410 18389 1783 1 2 . 1 1 164 164 ASN CB C 164 35.395 35.395 38.680 -3.285 18389 1784 1 2 . 1 1 164 164 ASN H H 164 9.864 9.864 9.017 0.847 18389 1785 1 2 . 1 1 165 165 ILE N N 165 118.660 118.660 121.315 -2.655 18389 1786 1 2 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.770 0.669 18389 1787 1 2 . 1 1 165 165 ILE C C 165 173.336 173.336 174.079 -0.743 18389 1788 1 2 . 1 1 165 165 ILE CA C 165 59.155 59.155 60.763 -1.608 18389 1789 1 2 . 1 1 165 165 ILE CB C 165 35.187 35.187 39.896 -4.709 18389 1790 1 2 . 1 1 165 165 ILE H H 165 8.716 8.716 8.193 0.523 18389 1791 1 2 . 1 1 166 166 LYS N N 166 127.896 127.896 124.392 3.504 18389 1792 1 2 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.091 0.087 18389 1793 1 2 . 1 1 166 166 LYS C C 166 170.453 170.453 173.999 -3.546 18389 1794 1 2 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.922 -1.399 18389 1795 1 2 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.889 -1.643 18389 1796 1 2 . 1 1 166 166 LYS H H 166 9.921 9.921 8.981 0.940 18389 1797 1 2 . 1 1 167 167 LEU N N 167 120.747 120.747 120.268 0.479 18389 1798 1 2 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.941 -0.105 18389 1799 1 2 . 1 1 167 167 LEU C C 167 173.703 173.703 176.156 -2.453 18389 1800 1 2 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.026 -2.447 18389 1801 1 2 . 1 1 167 167 LEU CB C 167 40.711 40.711 43.258 -2.547 18389 1802 1 2 . 1 1 167 167 LEU H H 167 8.552 8.552 8.477 0.075 18389 1803 1 2 . 1 1 168 168 ILE N N 168 116.914 116.914 118.395 -1.481 18389 1804 1 2 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.534 0.455 18389 1805 1 2 . 1 1 168 168 ILE C C 168 173.923 173.923 175.753 -1.830 18389 1806 1 2 . 1 1 168 168 ILE CA C 168 57.376 57.376 59.519 -2.143 18389 1807 1 2 . 1 1 168 168 ILE CB C 168 38.938 38.938 42.029 -3.091 18389 1808 1 2 . 1 1 168 168 ILE H H 168 8.523 8.523 8.729 -0.206 18389 1809 1 2 . 1 1 169 169 GLY N N 169 114.527 114.527 112.216 2.311 18389 1810 1 2 . 1 1 169 169 GLY C C 169 169.252 169.252 173.688 -4.436 18389 1811 1 2 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.429 -1.504 18389 1812 1 2 . 1 1 169 169 GLY H H 169 8.942 8.942 8.527 0.415 18389 1813 1 2 . 1 1 170 170 ALA N N 170 123.678 123.678 120.664 3.014 18389 1814 1 2 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.214 0.210 18389 1815 1 2 . 1 1 170 170 ALA C C 170 174.985 174.985 176.489 -1.504 18389 1816 1 2 . 1 1 170 170 ALA CA C 170 49.344 49.344 52.227 -2.883 18389 1817 1 2 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.660 -2.573 18389 1818 1 2 . 1 1 170 170 ALA H H 170 8.321 8.321 8.386 -0.065 18389 1819 1 2 . 1 1 171 171 LEU N N 171 122.139 122.139 119.827 2.312 18389 1820 1 2 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.535 -0.130 18389 1821 1 2 . 1 1 171 171 LEU C C 171 174.478 174.478 175.595 -1.117 18389 1822 1 2 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.527 -1.893 18389 1823 1 2 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.737 -1.626 18389 1824 1 2 . 1 1 171 171 LEU H H 171 8.182 8.182 8.271 -0.089 18389 1825 1 3 . 1 1 2 2 ALA N N 2 119.048 119.048 124.506 -5.458 18389 1826 1 3 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.599 -0.315 18389 1827 1 3 . 1 1 2 2 ALA C C 2 174.144 174.144 176.940 -2.796 18389 1828 1 3 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.905 -3.522 18389 1829 1 3 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.730 0.099 18389 1830 1 3 . 1 1 2 2 ALA H H 2 9.577 9.577 8.119 1.458 18389 1831 1 3 . 1 1 3 3 SER N N 3 114.278 114.278 116.010 -1.732 18389 1832 1 3 . 1 1 3 3 SER C C 3 173.040 173.040 175.265 -2.225 18389 1833 1 3 . 1 1 3 3 SER H H 3 8.152 8.152 8.257 -0.105 18389 1834 1 3 . 1 1 6 6 GLY N N 6 112.362 112.362 113.717 -1.355 18389 1835 1 3 . 1 1 6 6 GLY C C 6 170.686 170.686 173.393 -2.707 18389 1836 1 3 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.751 -2.438 18389 1837 1 3 . 1 1 6 6 GLY H H 6 8.750 8.750 8.863 -0.113 18389 1838 1 3 . 1 1 7 7 GLU N N 7 117.722 117.722 123.530 -5.808 18389 1839 1 3 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.243 0.186 18389 1840 1 3 . 1 1 7 7 GLU C C 7 172.744 172.744 175.453 -2.709 18389 1841 1 3 . 1 1 7 7 GLU CA C 7 52.248 52.248 53.962 -1.714 18389 1842 1 3 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.349 -2.179 18389 1843 1 3 . 1 1 7 7 GLU H H 7 8.078 8.078 7.862 0.216 18389 1844 1 3 . 1 1 8 8 LYS N N 8 122.832 122.832 122.409 0.423 18389 1845 1 3 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.663 -0.124 18389 1846 1 3 . 1 1 8 8 LYS C C 8 171.963 171.963 174.376 -2.413 18389 1847 1 3 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.783 -2.218 18389 1848 1 3 . 1 1 8 8 LYS CB C 8 33.185 33.185 35.378 -2.193 18389 1849 1 3 . 1 1 8 8 LYS H H 8 8.434 8.434 8.966 -0.532 18389 1850 1 3 . 1 1 9 9 MET N N 9 128.562 128.562 124.679 3.883 18389 1851 1 3 . 1 1 9 9 MET HA H 9 4.536 4.536 4.456 0.080 18389 1852 1 3 . 1 1 9 9 MET C C 9 172.911 172.911 175.941 -3.030 18389 1853 1 3 . 1 1 9 9 MET CA C 9 53.012 53.012 55.656 -2.644 18389 1854 1 3 . 1 1 9 9 MET CB C 9 28.376 28.376 33.428 -5.052 18389 1855 1 3 . 1 1 9 9 MET H H 9 8.984 8.984 8.725 0.259 18389 1856 1 3 . 1 1 10 10 LEU N N 10 129.881 129.881 121.641 8.240 18389 1857 1 3 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.639 0.025 18389 1858 1 3 . 1 1 10 10 LEU C C 10 174.887 174.887 176.933 -2.046 18389 1859 1 3 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.407 -2.194 18389 1860 1 3 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.698 -3.299 18389 1861 1 3 . 1 1 10 10 LEU H H 10 9.751 9.751 8.714 1.037 18389 1862 1 3 . 1 1 11 11 ASP N N 11 115.516 115.516 119.149 -3.633 18389 1863 1 3 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.798 -0.075 18389 1864 1 3 . 1 1 11 11 ASP C C 11 170.836 170.836 174.684 -3.848 18389 1865 1 3 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.896 -0.313 18389 1866 1 3 . 1 1 11 11 ASP CB C 11 40.219 40.219 42.926 -2.707 18389 1867 1 3 . 1 1 11 11 ASP H H 11 8.110 8.110 7.718 0.392 18389 1868 1 3 . 1 1 12 12 ASP N N 12 124.144 124.144 125.027 -0.883 18389 1869 1 3 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.589 0.262 18389 1870 1 3 . 1 1 12 12 ASP C C 12 175.055 175.055 176.467 -1.412 18389 1871 1 3 . 1 1 12 12 ASP CA C 12 50.310 50.310 53.971 -3.661 18389 1872 1 3 . 1 1 12 12 ASP CB C 12 38.195 38.195 40.841 -2.646 18389 1873 1 3 . 1 1 12 12 ASP H H 12 8.053 8.053 8.780 -0.727 18389 1874 1 3 . 1 1 13 13 PHE N N 13 117.584 117.584 115.723 1.861 18389 1875 1 3 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.196 0.076 18389 1876 1 3 . 1 1 13 13 PHE C C 13 171.960 171.960 175.577 -3.617 18389 1877 1 3 . 1 1 13 13 PHE CA C 13 58.913 58.913 58.587 0.326 18389 1878 1 3 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.278 -4.103 18389 1879 1 3 . 1 1 13 13 PHE H H 13 9.327 9.327 7.802 1.525 18389 1880 1 3 . 1 1 14 14 GLU N N 14 113.122 113.122 117.592 -4.470 18389 1881 1 3 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.489 0.560 18389 1882 1 3 . 1 1 14 14 GLU C C 14 175.300 175.300 178.142 -2.842 18389 1883 1 3 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.230 -5.249 18389 1884 1 3 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.764 -4.769 18389 1885 1 3 . 1 1 14 14 GLU H H 14 8.165 8.165 8.300 -0.135 18389 1886 1 3 . 1 1 15 15 GLY N N 15 110.108 110.108 108.723 1.385 18389 1887 1 3 . 1 1 15 15 GLY C C 15 171.609 171.609 174.207 -2.598 18389 1888 1 3 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.642 -2.788 18389 1889 1 3 . 1 1 15 15 GLY H H 15 8.117 8.117 8.152 -0.035 18389 1890 1 3 . 1 1 16 16 VAL N N 16 121.792 121.792 120.716 1.076 18389 1891 1 3 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.206 0.065 18389 1892 1 3 . 1 1 16 16 VAL C C 16 173.203 173.203 175.746 -2.543 18389 1893 1 3 . 1 1 16 16 VAL CA C 16 59.283 59.283 61.488 -2.205 18389 1894 1 3 . 1 1 16 16 VAL CB C 16 30.201 30.201 33.326 -3.125 18389 1895 1 3 . 1 1 16 16 VAL H H 16 8.190 8.190 8.092 0.098 18389 1896 1 3 . 1 1 17 17 LEU N N 17 124.682 124.682 127.738 -3.056 18389 1897 1 3 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.336 0.562 18389 1898 1 3 . 1 1 17 17 LEU C C 17 174.685 174.685 177.108 -2.423 18389 1899 1 3 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.674 -2.876 18389 1900 1 3 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.854 -3.718 18389 1901 1 3 . 1 1 17 17 LEU H H 17 8.500 8.500 8.462 0.038 18389 1902 1 3 . 1 1 18 18 ASN N N 18 127.589 127.589 120.238 7.351 18389 1903 1 3 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.499 0.648 18389 1904 1 3 . 1 1 18 18 ASN C C 18 171.583 171.583 174.025 -2.442 18389 1905 1 3 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.311 -1.334 18389 1906 1 3 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.637 -1.494 18389 1907 1 3 . 1 1 18 18 ASN H H 18 9.956 9.956 7.945 2.011 18389 1908 1 3 . 1 1 19 19 TRP N N 19 119.913 119.913 120.574 -0.661 18389 1909 1 3 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.886 0.172 18389 1910 1 3 . 1 1 19 19 TRP C C 19 174.918 174.918 177.585 -2.667 18389 1911 1 3 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.155 -0.779 18389 1912 1 3 . 1 1 19 19 TRP CB C 19 27.400 27.400 30.162 -2.762 18389 1913 1 3 . 1 1 19 19 TRP H H 19 7.057 7.057 7.232 -0.175 18389 1914 1 3 . 1 1 20 20 GLY N N 20 112.934 112.934 111.261 1.673 18389 1915 1 3 . 1 1 20 20 GLY C C 20 171.436 171.436 173.104 -1.668 18389 1916 1 3 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.009 -4.069 18389 1917 1 3 . 1 1 20 20 GLY H H 20 9.622 9.622 8.897 0.725 18389 1918 1 3 . 1 1 21 21 SER N N 21 114.752 114.752 114.924 -0.172 18389 1919 1 3 . 1 1 21 21 SER HA H 21 5.686 5.686 5.608 0.078 18389 1920 1 3 . 1 1 21 21 SER C C 21 170.314 170.314 173.459 -3.145 18389 1921 1 3 . 1 1 21 21 SER CA C 21 55.911 55.911 57.407 -1.496 18389 1922 1 3 . 1 1 21 21 SER CB C 21 64.070 64.070 66.733 -2.663 18389 1923 1 3 . 1 1 21 21 SER H H 21 8.899 8.899 8.468 0.431 18389 1924 1 3 . 1 1 22 22 TYR N N 22 118.001 118.001 119.954 -1.953 18389 1925 1 3 . 1 1 22 22 TYR HA H 22 5.300 5.300 5.003 0.297 18389 1926 1 3 . 1 1 22 22 TYR C C 22 170.760 170.760 173.394 -2.634 18389 1927 1 3 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.744 -3.094 18389 1928 1 3 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.834 -3.010 18389 1929 1 3 . 1 1 22 22 TYR H H 22 8.807 8.807 8.691 0.116 18389 1930 1 3 . 1 1 23 23 SER N N 23 109.826 109.826 116.162 -6.336 18389 1931 1 3 . 1 1 23 23 SER HA H 23 4.912 4.912 5.246 -0.334 18389 1932 1 3 . 1 1 23 23 SER C C 23 169.918 169.918 172.576 -2.658 18389 1933 1 3 . 1 1 23 23 SER CA C 23 55.664 55.664 56.944 -1.280 18389 1934 1 3 . 1 1 23 23 SER CB C 23 62.361 62.361 66.869 -4.508 18389 1935 1 3 . 1 1 23 23 SER H H 23 8.435 8.435 8.346 0.089 18389 1936 1 3 . 1 1 24 24 GLY N N 24 103.788 103.788 106.791 -3.003 18389 1937 1 3 . 1 1 24 24 GLY C C 24 170.240 170.240 173.901 -3.661 18389 1938 1 3 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.778 -2.011 18389 1939 1 3 . 1 1 24 24 GLY H H 24 7.339 7.339 8.143 -0.804 18389 1940 1 3 . 1 1 25 25 GLU N N 25 116.420 116.420 120.304 -3.884 18389 1941 1 3 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.921 0.188 18389 1942 1 3 . 1 1 25 25 GLU C C 25 173.683 173.683 176.181 -2.498 18389 1943 1 3 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.578 -3.891 18389 1944 1 3 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.225 -3.079 18389 1945 1 3 . 1 1 25 25 GLU H H 25 8.962 8.962 9.007 -0.045 18389 1946 1 3 . 1 1 26 26 GLY N N 26 106.660 106.660 101.822 4.838 18389 1947 1 3 . 1 1 26 26 GLY C C 26 171.638 171.638 174.467 -2.829 18389 1948 1 3 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.961 -1.788 18389 1949 1 3 . 1 1 26 26 GLY H H 26 8.483 8.483 8.040 0.443 18389 1950 1 3 . 1 1 27 27 ALA N N 27 123.407 123.407 123.215 0.192 18389 1951 1 3 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.257 0.390 18389 1952 1 3 . 1 1 27 27 ALA C C 27 174.232 174.232 175.797 -1.565 18389 1953 1 3 . 1 1 27 27 ALA CA C 27 49.563 49.563 52.251 -2.688 18389 1954 1 3 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.027 -2.489 18389 1955 1 3 . 1 1 27 27 ALA H H 27 7.182 7.182 7.519 -0.337 18389 1956 1 3 . 1 1 28 28 LYS N N 28 117.590 117.590 120.598 -3.008 18389 1957 1 3 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.585 0.307 18389 1958 1 3 . 1 1 28 28 LYS C C 28 171.365 171.365 174.439 -3.074 18389 1959 1 3 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.716 -3.297 18389 1960 1 3 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.367 -1.823 18389 1961 1 3 . 1 1 28 28 LYS H H 28 8.650 8.650 8.640 0.010 18389 1962 1 3 . 1 1 29 29 VAL N N 29 118.148 118.148 122.657 -4.509 18389 1963 1 3 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.079 1.162 18389 1964 1 3 . 1 1 29 29 VAL C C 29 169.809 169.809 175.375 -5.566 18389 1965 1 3 . 1 1 29 29 VAL CA C 29 57.083 57.083 61.426 -4.343 18389 1966 1 3 . 1 1 29 29 VAL CB C 29 31.475 31.475 33.720 -2.245 18389 1967 1 3 . 1 1 29 29 VAL H H 29 8.327 8.327 8.394 -0.067 18389 1968 1 3 . 1 1 30 30 SER N N 30 120.964 120.964 123.978 -3.014 18389 1969 1 3 . 1 1 30 30 SER HA H 30 4.993 4.993 4.621 0.372 18389 1970 1 3 . 1 1 30 30 SER C C 30 170.354 170.354 173.254 -2.900 18389 1971 1 3 . 1 1 30 30 SER CA C 30 54.438 54.438 57.504 -3.066 18389 1972 1 3 . 1 1 30 30 SER CB C 30 63.262 63.262 64.438 -1.175 18389 1973 1 3 . 1 1 30 30 SER H H 30 8.797 8.797 8.081 0.716 18389 1974 1 3 . 1 1 31 31 THR N N 31 112.970 112.970 115.746 -2.776 18389 1975 1 3 . 1 1 31 31 THR HA H 31 5.618 5.618 4.910 0.708 18389 1976 1 3 . 1 1 31 31 THR C C 31 171.857 171.857 174.591 -2.734 18389 1977 1 3 . 1 1 31 31 THR CA C 31 56.212 56.212 60.924 -4.712 18389 1978 1 3 . 1 1 31 31 THR CB C 31 69.719 69.719 69.869 -0.150 18389 1979 1 3 . 1 1 31 31 THR H H 31 8.384 8.384 8.137 0.247 18389 1980 1 3 . 1 1 32 32 LYS N N 32 119.710 119.710 122.751 -3.041 18389 1981 1 3 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.605 0.121 18389 1982 1 3 . 1 1 32 32 LYS C C 32 171.734 171.734 174.896 -3.162 18389 1983 1 3 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.977 -2.003 18389 1984 1 3 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.253 -2.159 18389 1985 1 3 . 1 1 32 32 LYS H H 32 8.530 8.530 8.659 -0.129 18389 1986 1 3 . 1 1 33 33 ILE N N 33 124.276 124.276 121.780 2.496 18389 1987 1 3 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.351 0.623 18389 1988 1 3 . 1 1 33 33 ILE C C 33 173.578 173.578 175.657 -2.079 18389 1989 1 3 . 1 1 33 33 ILE CA C 33 57.439 57.439 59.426 -1.987 18389 1990 1 3 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.538 -5.075 18389 1991 1 3 . 1 1 33 33 ILE H H 33 8.669 8.669 8.396 0.273 18389 1992 1 3 . 1 1 34 34 VAL N N 34 121.698 121.698 123.246 -1.548 18389 1993 1 3 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.640 0.227 18389 1994 1 3 . 1 1 34 34 VAL C C 34 172.702 172.702 174.958 -2.256 18389 1995 1 3 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.740 -3.081 18389 1996 1 3 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.181 -0.272 18389 1997 1 3 . 1 1 34 34 VAL H H 34 8.463 8.463 8.178 0.285 18389 1998 1 3 . 1 1 35 35 SER N N 35 115.704 115.704 116.316 -0.612 18389 1999 1 3 . 1 1 35 35 SER HA H 35 4.590 4.590 4.577 0.013 18389 2000 1 3 . 1 1 35 35 SER CA C 35 58.345 58.345 59.755 -1.410 18389 2001 1 3 . 1 1 35 35 SER CB C 35 60.619 60.619 63.531 -2.912 18389 2002 1 3 . 1 1 35 35 SER H H 35 8.271 8.271 8.445 -0.174 18389 2003 1 3 . 1 1 36 36 GLY N N 36 113.970 113.970 110.636 3.334 18389 2004 1 3 . 1 1 36 36 GLY C C 36 170.257 170.257 173.254 -2.997 18389 2005 1 3 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.571 -3.873 18389 2006 1 3 . 1 1 36 36 GLY H H 36 9.267 9.267 8.314 0.953 18389 2007 1 3 . 1 1 37 37 LYS N N 37 129.227 129.227 119.383 9.844 18389 2008 1 3 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.301 -0.946 18389 2009 1 3 . 1 1 37 37 LYS C C 37 174.912 174.912 176.559 -1.647 18389 2010 1 3 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.521 -2.966 18389 2011 1 3 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.467 -3.058 18389 2012 1 3 . 1 1 37 37 LYS H H 37 8.484 8.484 8.620 -0.136 18389 2013 1 3 . 1 1 38 38 THR N N 38 109.924 109.924 113.412 -3.488 18389 2014 1 3 . 1 1 38 38 THR HA H 38 4.398 4.398 4.517 -0.119 18389 2015 1 3 . 1 1 38 38 THR C C 38 171.818 171.818 174.601 -2.783 18389 2016 1 3 . 1 1 38 38 THR CA C 38 57.223 57.223 61.116 -3.893 18389 2017 1 3 . 1 1 38 38 THR CB C 38 67.805 67.805 70.285 -2.480 18389 2018 1 3 . 1 1 38 38 THR H H 38 7.549 7.549 8.165 -0.616 18389 2019 1 3 . 1 1 40 40 ASN N N 40 129.674 129.674 122.445 7.229 18389 2020 1 3 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.086 0.437 18389 2021 1 3 . 1 1 40 40 ASN C C 40 173.717 173.717 174.840 -1.123 18389 2022 1 3 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.335 -2.013 18389 2023 1 3 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.193 -3.005 18389 2024 1 3 . 1 1 40 40 ASN H H 40 10.958 10.958 8.301 2.657 18389 2025 1 3 . 1 1 41 41 GLY N N 41 111.261 111.261 106.756 4.505 18389 2026 1 3 . 1 1 41 41 GLY C C 41 166.652 166.652 172.718 -6.066 18389 2027 1 3 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.367 -1.656 18389 2028 1 3 . 1 1 41 41 GLY H H 41 9.674 9.674 8.717 0.957 18389 2029 1 3 . 1 1 42 42 MET N N 42 119.165 119.165 119.012 0.153 18389 2030 1 3 . 1 1 42 42 MET HA H 42 4.849 4.849 4.952 -0.103 18389 2031 1 3 . 1 1 42 42 MET C C 42 171.154 171.154 173.543 -2.389 18389 2032 1 3 . 1 1 42 42 MET CA C 42 51.503 51.503 54.234 -2.731 18389 2033 1 3 . 1 1 42 42 MET CB C 42 33.293 33.293 36.247 -2.954 18389 2034 1 3 . 1 1 42 42 MET H H 42 7.550 7.550 8.740 -1.190 18389 2035 1 3 . 1 1 43 43 GLU N N 43 128.221 128.221 124.498 3.723 18389 2036 1 3 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.317 -0.451 18389 2037 1 3 . 1 1 43 43 GLU C C 43 172.612 172.612 174.477 -1.865 18389 2038 1 3 . 1 1 43 43 GLU CA C 43 51.679 51.679 53.849 -2.170 18389 2039 1 3 . 1 1 43 43 GLU CB C 43 30.396 30.396 34.161 -3.765 18389 2040 1 3 . 1 1 43 43 GLU H H 43 9.355 9.355 8.960 0.395 18389 2041 1 3 . 1 1 44 44 VAL N N 44 131.011 131.011 123.141 7.870 18389 2042 1 3 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.557 -0.195 18389 2043 1 3 . 1 1 44 44 VAL C C 44 171.752 171.752 173.954 -2.202 18389 2044 1 3 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.445 -1.110 18389 2045 1 3 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.422 -5.472 18389 2046 1 3 . 1 1 44 44 VAL H H 44 9.002 9.002 8.656 0.346 18389 2047 1 3 . 1 1 45 45 SER N N 45 120.764 120.764 119.096 1.668 18389 2048 1 3 . 1 1 45 45 SER HA H 45 4.975 4.975 4.519 0.456 18389 2049 1 3 . 1 1 45 45 SER C C 45 170.500 170.500 173.251 -2.751 18389 2050 1 3 . 1 1 45 45 SER CA C 45 53.547 53.547 56.610 -3.063 18389 2051 1 3 . 1 1 45 45 SER CB C 45 61.650 61.650 63.602 -1.952 18389 2052 1 3 . 1 1 45 45 SER H H 45 8.511 8.511 8.178 0.333 18389 2053 1 3 . 1 1 46 46 TYR N N 46 123.478 123.478 127.424 -3.946 18389 2054 1 3 . 1 1 46 46 TYR HA H 46 5.275 5.275 4.650 0.625 18389 2055 1 3 . 1 1 46 46 TYR C C 46 171.644 171.644 175.471 -3.827 18389 2056 1 3 . 1 1 46 46 TYR CA C 46 52.235 52.235 56.834 -4.599 18389 2057 1 3 . 1 1 46 46 TYR CB C 46 37.465 37.465 39.823 -2.358 18389 2058 1 3 . 1 1 46 46 TYR H H 46 8.511 8.511 8.716 -0.205 18389 2059 1 3 . 1 1 47 47 THR N N 47 118.641 118.641 119.558 -0.917 18389 2060 1 3 . 1 1 47 47 THR HA H 47 4.793 4.793 4.621 0.172 18389 2061 1 3 . 1 1 47 47 THR C C 47 171.614 171.614 173.644 -2.030 18389 2062 1 3 . 1 1 47 47 THR CA C 47 58.267 58.267 61.238 -2.971 18389 2063 1 3 . 1 1 47 47 THR CB C 47 68.820 68.820 71.023 -2.203 18389 2064 1 3 . 1 1 47 47 THR H H 47 8.935 8.935 8.727 0.208 18389 2065 1 3 . 1 1 48 48 GLY N N 48 112.467 112.467 112.144 0.323 18389 2066 1 3 . 1 1 48 48 GLY C C 48 170.521 170.521 172.624 -2.103 18389 2067 1 3 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.939 -1.863 18389 2068 1 3 . 1 1 48 48 GLY H H 48 7.723 7.723 8.897 -1.174 18389 2069 1 3 . 1 1 49 49 THR N N 49 106.823 106.823 111.976 -5.153 18389 2070 1 3 . 1 1 49 49 THR HA H 49 4.913 4.913 4.823 0.090 18389 2071 1 3 . 1 1 49 49 THR C C 49 172.529 172.529 175.226 -2.697 18389 2072 1 3 . 1 1 49 49 THR CA C 49 57.385 57.385 60.492 -3.107 18389 2073 1 3 . 1 1 49 49 THR CB C 49 69.609 69.609 71.135 -1.526 18389 2074 1 3 . 1 1 49 49 THR H H 49 8.019 8.019 8.244 -0.225 18389 2075 1 3 . 1 1 51 51 ASP N N 51 118.095 118.095 119.443 -1.348 18389 2076 1 3 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.920 0.084 18389 2077 1 3 . 1 1 51 51 ASP C C 51 172.913 172.913 176.218 -3.305 18389 2078 1 3 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.343 -1.098 18389 2079 1 3 . 1 1 51 51 ASP CB C 51 38.770 38.770 42.472 -3.702 18389 2080 1 3 . 1 1 51 51 ASP H H 51 8.613 8.613 8.527 0.086 18389 2081 1 3 . 1 1 52 52 GLY N N 52 107.075 107.075 107.350 -0.275 18389 2082 1 3 . 1 1 52 52 GLY C C 52 169.748 169.748 172.896 -3.148 18389 2083 1 3 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.414 -1.508 18389 2084 1 3 . 1 1 52 52 GLY H H 52 7.651 7.651 7.485 0.166 18389 2085 1 3 . 1 1 53 53 TYR N N 53 112.556 112.556 113.976 -1.420 18389 2086 1 3 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.588 -0.967 18389 2087 1 3 . 1 1 53 53 TYR C C 53 169.219 169.219 172.989 -3.770 18389 2088 1 3 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.670 -4.564 18389 2089 1 3 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.720 -1.690 18389 2090 1 3 . 1 1 53 53 TYR H H 53 6.918 6.918 7.884 -0.966 18389 2091 1 3 . 1 1 54 54 TRP N N 54 112.748 112.748 118.426 -5.678 18389 2092 1 3 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.719 -0.340 18389 2093 1 3 . 1 1 54 54 TRP C C 54 171.085 171.085 174.646 -3.561 18389 2094 1 3 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.326 -3.066 18389 2095 1 3 . 1 1 54 54 TRP CB C 54 29.975 29.975 33.372 -3.397 18389 2096 1 3 . 1 1 54 54 TRP H H 54 6.406 6.406 7.705 -1.299 18389 2097 1 3 . 1 1 55 55 GLY N N 55 108.552 108.552 105.603 2.949 18389 2098 1 3 . 1 1 55 55 GLY C C 55 168.023 168.023 171.591 -3.568 18389 2099 1 3 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.463 -2.015 18389 2100 1 3 . 1 1 55 55 GLY H H 55 8.689 8.689 8.168 0.521 18389 2101 1 3 . 1 1 56 56 THR N N 56 113.376 113.376 115.354 -1.978 18389 2102 1 3 . 1 1 56 56 THR HA H 56 5.868 5.868 5.160 0.708 18389 2103 1 3 . 1 1 56 56 THR C C 56 170.376 170.376 173.748 -3.372 18389 2104 1 3 . 1 1 56 56 THR CA C 56 57.238 57.238 61.310 -4.072 18389 2105 1 3 . 1 1 56 56 THR CB C 56 69.053 69.053 72.964 -3.911 18389 2106 1 3 . 1 1 56 56 THR H H 56 9.518 9.518 8.607 0.911 18389 2107 1 3 . 1 1 57 57 VAL N N 57 123.361 123.361 125.235 -1.874 18389 2108 1 3 . 1 1 57 57 VAL HA H 57 5.453 5.453 3.868 1.585 18389 2109 1 3 . 1 1 57 57 VAL C C 57 169.082 169.082 174.100 -5.018 18389 2110 1 3 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.340 -5.291 18389 2111 1 3 . 1 1 57 57 VAL CB C 57 33.347 33.347 34.338 -0.991 18389 2112 1 3 . 1 1 57 57 VAL H H 57 8.956 8.956 8.651 0.305 18389 2113 1 3 . 1 1 58 58 TYR N N 58 131.224 131.224 126.239 4.985 18389 2114 1 3 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.255 -0.679 18389 2115 1 3 . 1 1 58 58 TYR C C 58 172.050 172.050 173.422 -1.372 18389 2116 1 3 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.691 -5.109 18389 2117 1 3 . 1 1 58 58 TYR CB C 58 34.961 34.961 42.282 -7.321 18389 2118 1 3 . 1 1 58 58 TYR H H 58 8.641 8.641 8.707 -0.066 18389 2119 1 3 . 1 1 59 59 SER N N 59 123.126 123.126 122.964 0.162 18389 2120 1 3 . 1 1 59 59 SER HA H 59 4.304 4.304 4.755 -0.451 18389 2121 1 3 . 1 1 59 59 SER C C 59 170.891 170.891 173.819 -2.928 18389 2122 1 3 . 1 1 59 59 SER CA C 59 55.452 55.452 58.231 -2.779 18389 2123 1 3 . 1 1 59 59 SER CB C 59 60.048 60.048 63.906 -3.858 18389 2124 1 3 . 1 1 59 59 SER H H 59 8.217 8.217 8.818 -0.601 18389 2125 1 3 . 1 1 60 60 LEU N N 60 126.809 126.809 127.905 -1.096 18389 2126 1 3 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.880 -0.627 18389 2127 1 3 . 1 1 60 60 LEU C C 60 173.994 173.994 176.463 -2.469 18389 2128 1 3 . 1 1 60 60 LEU CA C 60 50.050 50.050 52.421 -2.371 18389 2129 1 3 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.285 -2.928 18389 2130 1 3 . 1 1 60 60 LEU H H 60 7.838 7.838 8.646 -0.808 18389 2131 1 3 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.596 -0.023 18389 2132 1 3 . 1 1 61 61 PRO C C 61 173.514 173.514 176.020 -2.506 18389 2133 1 3 . 1 1 61 61 PRO CA C 61 61.252 61.252 63.720 -2.468 18389 2134 1 3 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.455 -3.140 18389 2135 1 3 . 1 1 62 62 ASP N N 62 115.943 115.943 118.685 -2.742 18389 2136 1 3 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.837 0.002 18389 2137 1 3 . 1 1 62 62 ASP C C 62 172.949 172.949 175.434 -2.485 18389 2138 1 3 . 1 1 62 62 ASP CA C 62 50.706 50.706 52.930 -2.224 18389 2139 1 3 . 1 1 62 62 ASP CB C 62 40.031 40.031 43.500 -3.469 18389 2140 1 3 . 1 1 62 62 ASP H H 62 7.018 7.018 7.702 -0.684 18389 2141 1 3 . 1 1 63 63 GLY N N 63 112.680 112.680 110.623 2.057 18389 2142 1 3 . 1 1 63 63 GLY C C 63 170.273 170.273 173.116 -2.843 18389 2143 1 3 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.759 -1.758 18389 2144 1 3 . 1 1 63 63 GLY H H 63 8.417 8.417 8.527 -0.110 18389 2145 1 3 . 1 1 64 64 ASP N N 64 115.221 115.221 118.794 -3.573 18389 2146 1 3 . 1 1 64 64 ASP HA H 64 5.293 5.293 5.485 -0.192 18389 2147 1 3 . 1 1 64 64 ASP C C 64 174.354 174.354 174.382 -0.028 18389 2148 1 3 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.258 -1.991 18389 2149 1 3 . 1 1 64 64 ASP CB C 64 37.340 37.340 42.611 -5.271 18389 2150 1 3 . 1 1 64 64 ASP H H 64 7.766 7.766 7.904 -0.138 18389 2151 1 3 . 1 1 65 65 TRP N N 65 130.747 130.747 125.171 5.576 18389 2152 1 3 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.065 0.366 18389 2153 1 3 . 1 1 65 65 TRP C C 65 173.930 173.930 176.242 -2.312 18389 2154 1 3 . 1 1 65 65 TRP CA C 65 52.044 52.044 58.206 -6.162 18389 2155 1 3 . 1 1 65 65 TRP CB C 65 26.607 26.607 32.241 -5.634 18389 2156 1 3 . 1 1 65 65 TRP H H 65 9.687 9.687 8.800 0.887 18389 2157 1 3 . 1 1 66 66 SER N N 66 114.151 114.151 115.389 -1.238 18389 2158 1 3 . 1 1 66 66 SER HA H 66 4.041 4.041 4.122 -0.081 18389 2159 1 3 . 1 1 66 66 SER CA C 66 59.812 59.812 60.678 -0.866 18389 2160 1 3 . 1 1 66 66 SER CB C 66 60.892 60.892 62.661 -1.769 18389 2161 1 3 . 1 1 66 66 SER H H 66 8.568 8.568 8.297 0.271 18389 2162 1 3 . 1 1 70 70 LYS N N 70 117.090 117.090 116.280 0.810 18389 2163 1 3 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.944 -0.546 18389 2164 1 3 . 1 1 70 70 LYS C C 70 170.030 170.030 174.838 -4.808 18389 2165 1 3 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.580 -3.721 18389 2166 1 3 . 1 1 70 70 LYS CB C 70 34.956 34.956 35.735 -0.779 18389 2167 1 3 . 1 1 70 70 LYS H H 70 8.308 8.308 7.042 1.266 18389 2168 1 3 . 1 1 71 71 ILE N N 71 118.764 118.764 121.696 -2.932 18389 2169 1 3 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.633 0.581 18389 2170 1 3 . 1 1 71 71 ILE C C 71 169.396 169.396 174.256 -4.860 18389 2171 1 3 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.837 -4.505 18389 2172 1 3 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.670 -1.024 18389 2173 1 3 . 1 1 71 71 ILE H H 71 7.816 7.816 8.280 -0.464 18389 2174 1 3 . 1 1 72 72 SER N N 72 120.952 120.952 116.401 4.551 18389 2175 1 3 . 1 1 72 72 SER HA H 72 5.852 5.852 4.975 0.877 18389 2176 1 3 . 1 1 72 72 SER C C 72 170.208 170.208 173.014 -2.806 18389 2177 1 3 . 1 1 72 72 SER CA C 72 52.457 52.457 56.392 -3.935 18389 2178 1 3 . 1 1 72 72 SER CB C 72 64.125 64.125 66.453 -2.328 18389 2179 1 3 . 1 1 72 72 SER H H 72 9.237 9.237 8.407 0.830 18389 2180 1 3 . 1 1 73 73 PHE N N 73 117.161 117.161 116.587 0.574 18389 2181 1 3 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.471 -0.100 18389 2182 1 3 . 1 1 73 73 PHE C C 73 170.381 170.381 174.157 -3.776 18389 2183 1 3 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.576 -1.779 18389 2184 1 3 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.655 -3.083 18389 2185 1 3 . 1 1 73 73 PHE H H 73 8.093 8.093 7.632 0.461 18389 2186 1 3 . 1 1 74 74 ASP N N 74 120.210 120.210 121.627 -1.417 18389 2187 1 3 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.348 0.806 18389 2188 1 3 . 1 1 74 74 ASP C C 74 173.653 173.653 174.538 -0.885 18389 2189 1 3 . 1 1 74 74 ASP CA C 74 50.896 50.896 54.729 -3.833 18389 2190 1 3 . 1 1 74 74 ASP CB C 74 41.487 41.487 41.892 -0.404 18389 2191 1 3 . 1 1 74 74 ASP H H 74 8.993 8.993 8.670 0.323 18389 2192 1 3 . 1 1 75 75 ILE N N 75 121.051 121.051 125.085 -4.034 18389 2193 1 3 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.515 0.738 18389 2194 1 3 . 1 1 75 75 ILE C C 75 171.229 171.229 173.367 -2.138 18389 2195 1 3 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.526 -2.005 18389 2196 1 3 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.855 -0.334 18389 2197 1 3 . 1 1 75 75 ILE H H 75 9.681 9.681 7.882 1.799 18389 2198 1 3 . 1 1 76 76 LYS N N 76 124.693 124.693 126.165 -1.472 18389 2199 1 3 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.235 -0.404 18389 2200 1 3 . 1 1 76 76 LYS C C 76 172.283 172.283 174.512 -2.229 18389 2201 1 3 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.650 -1.248 18389 2202 1 3 . 1 1 76 76 LYS CB C 76 32.722 32.722 36.427 -3.705 18389 2203 1 3 . 1 1 76 76 LYS H H 76 8.454 8.454 9.431 -0.977 18389 2204 1 3 . 1 1 77 77 SER N N 77 118.916 118.916 115.122 3.794 18389 2205 1 3 . 1 1 77 77 SER HA H 77 4.816 4.816 4.685 0.131 18389 2206 1 3 . 1 1 77 77 SER C C 77 172.741 172.741 174.901 -2.160 18389 2207 1 3 . 1 1 77 77 SER CA C 77 55.341 55.341 58.000 -2.659 18389 2208 1 3 . 1 1 77 77 SER CB C 77 61.792 61.792 64.087 -2.295 18389 2209 1 3 . 1 1 77 77 SER H H 77 9.236 9.236 8.796 0.440 18389 2210 1 3 . 1 1 78 78 VAL N N 78 120.723 120.723 124.195 -3.472 18389 2211 1 3 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.396 -0.062 18389 2212 1 3 . 1 1 78 78 VAL C C 78 172.941 172.941 173.813 -0.872 18389 2213 1 3 . 1 1 78 78 VAL CA C 78 59.795 59.795 60.722 -0.927 18389 2214 1 3 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.482 -2.214 18389 2215 1 3 . 1 1 78 78 VAL H H 78 8.132 8.132 8.175 -0.043 18389 2216 1 3 . 1 1 79 79 ASP N N 79 119.240 119.240 117.636 1.604 18389 2217 1 3 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.742 -0.001 18389 2218 1 3 . 1 1 79 79 ASP C C 79 174.199 174.199 177.426 -3.227 18389 2219 1 3 . 1 1 79 79 ASP CA C 79 51.112 51.112 53.791 -2.679 18389 2220 1 3 . 1 1 79 79 ASP CB C 79 39.073 39.073 41.856 -2.783 18389 2221 1 3 . 1 1 79 79 ASP H H 79 8.190 8.190 8.108 0.082 18389 2222 1 3 . 1 1 80 80 GLY N N 80 108.323 108.323 109.499 -1.176 18389 2223 1 3 . 1 1 80 80 GLY C C 80 171.858 171.858 173.612 -1.754 18389 2224 1 3 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.934 -2.831 18389 2225 1 3 . 1 1 80 80 GLY H H 80 8.275 8.275 8.169 0.106 18389 2226 1 3 . 1 1 81 81 SER N N 81 116.291 116.291 116.383 -0.092 18389 2227 1 3 . 1 1 81 81 SER HA H 81 4.588 4.588 4.803 -0.215 18389 2228 1 3 . 1 1 81 81 SER C C 81 171.588 171.588 174.117 -2.529 18389 2229 1 3 . 1 1 81 81 SER CA C 81 55.552 55.552 57.340 -1.788 18389 2230 1 3 . 1 1 81 81 SER CB C 81 61.910 61.910 66.226 -4.316 18389 2231 1 3 . 1 1 81 81 SER H H 81 8.201 8.201 7.474 0.727 18389 2232 1 3 . 1 1 82 82 ALA N N 82 128.019 128.019 125.390 2.629 18389 2233 1 3 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.638 0.324 18389 2234 1 3 . 1 1 82 82 ALA C C 82 173.332 173.332 176.988 -3.656 18389 2235 1 3 . 1 1 82 82 ALA CA C 82 49.079 49.079 53.999 -4.920 18389 2236 1 3 . 1 1 82 82 ALA CB C 82 16.570 16.570 20.041 -3.471 18389 2237 1 3 . 1 1 82 82 ALA H H 82 8.613 8.613 8.737 -0.124 18389 2238 1 3 . 1 1 83 83 ASN N N 83 119.651 119.651 114.090 5.561 18389 2239 1 3 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.735 0.327 18389 2240 1 3 . 1 1 83 83 ASN C C 83 170.848 170.848 173.446 -2.598 18389 2241 1 3 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.487 -1.727 18389 2242 1 3 . 1 1 83 83 ASN CB C 83 38.789 38.789 40.356 -1.567 18389 2243 1 3 . 1 1 83 83 ASN H H 83 8.153 8.153 7.995 0.158 18389 2244 1 3 . 1 1 84 84 GLU N N 84 127.150 127.150 120.140 7.010 18389 2245 1 3 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.848 -0.136 18389 2246 1 3 . 1 1 84 84 GLU C C 84 171.647 171.647 176.436 -4.789 18389 2247 1 3 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.650 -1.878 18389 2248 1 3 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.336 -1.635 18389 2249 1 3 . 1 1 84 84 GLU H H 84 8.122 8.122 8.530 -0.408 18389 2250 1 3 . 1 1 85 85 ILE N N 85 117.590 117.590 120.538 -2.948 18389 2251 1 3 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.712 -0.079 18389 2252 1 3 . 1 1 85 85 ILE C C 85 171.902 171.902 173.945 -2.043 18389 2253 1 3 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.266 -1.234 18389 2254 1 3 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.604 -1.352 18389 2255 1 3 . 1 1 85 85 ILE H H 85 8.910 8.910 8.808 0.102 18389 2256 1 3 . 1 1 86 86 ARG N N 86 116.697 116.697 117.673 -0.976 18389 2257 1 3 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.301 0.095 18389 2258 1 3 . 1 1 86 86 ARG C C 86 171.787 171.787 175.616 -3.829 18389 2259 1 3 . 1 1 86 86 ARG CA C 86 53.115 53.115 53.224 -0.109 18389 2260 1 3 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.682 -1.620 18389 2261 1 3 . 1 1 86 86 ARG H H 86 9.149 9.149 8.658 0.491 18389 2262 1 3 . 1 1 87 87 PHE N N 87 123.607 123.607 121.312 2.295 18389 2263 1 3 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.681 -0.193 18389 2264 1 3 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.540 -1.723 18389 2265 1 3 . 1 1 87 87 PHE CB C 87 40.112 40.112 41.489 -1.377 18389 2266 1 3 . 1 1 87 87 PHE H H 87 9.235 9.235 9.106 0.129 18389 2267 1 3 . 1 1 88 88 MET N N 88 129.893 129.893 120.465 9.428 18389 2268 1 3 . 1 1 88 88 MET HA H 88 5.836 5.836 5.779 0.057 18389 2269 1 3 . 1 1 88 88 MET C C 88 170.768 170.768 174.303 -3.535 18389 2270 1 3 . 1 1 88 88 MET CA C 88 51.118 51.118 54.859 -3.741 18389 2271 1 3 . 1 1 88 88 MET CB C 88 37.224 37.224 37.410 -0.186 18389 2272 1 3 . 1 1 88 88 MET H H 88 8.868 8.868 9.330 -0.462 18389 2273 1 3 . 1 1 89 89 ILE N N 89 124.630 124.630 123.599 1.031 18389 2274 1 3 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.030 -0.492 18389 2275 1 3 . 1 1 89 89 ILE C C 89 171.047 171.047 173.814 -2.767 18389 2276 1 3 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.428 -1.457 18389 2277 1 3 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.511 -3.591 18389 2278 1 3 . 1 1 89 89 ILE H H 89 9.258 9.258 9.316 -0.058 18389 2279 1 3 . 1 1 90 90 ALA N N 90 128.743 128.743 127.660 1.083 18389 2280 1 3 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.313 0.353 18389 2281 1 3 . 1 1 90 90 ALA C C 90 176.041 176.041 176.646 -0.605 18389 2282 1 3 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.515 -2.694 18389 2283 1 3 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.690 -3.359 18389 2284 1 3 . 1 1 90 90 ALA H H 90 8.749 8.749 8.891 -0.142 18389 2285 1 3 . 1 1 91 91 GLU N N 91 121.616 121.616 124.530 -2.914 18389 2286 1 3 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.505 0.213 18389 2287 1 3 . 1 1 91 91 GLU C C 91 174.217 174.217 176.570 -2.353 18389 2288 1 3 . 1 1 91 91 GLU CA C 91 53.143 53.143 56.646 -3.503 18389 2289 1 3 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.274 -1.427 18389 2290 1 3 . 1 1 91 91 GLU H H 91 8.749 8.749 8.302 0.447 18389 2291 1 3 . 1 1 92 92 LYS N N 92 117.975 117.975 119.393 -1.418 18389 2292 1 3 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.353 0.016 18389 2293 1 3 . 1 1 92 92 LYS C C 92 174.743 174.743 176.786 -2.043 18389 2294 1 3 . 1 1 92 92 LYS CA C 92 54.360 54.360 55.899 -1.539 18389 2295 1 3 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.345 -2.689 18389 2296 1 3 . 1 1 92 92 LYS H H 92 8.014 8.014 8.239 -0.225 18389 2297 1 3 . 1 1 93 93 SER N N 93 115.092 115.092 116.314 -1.222 18389 2298 1 3 . 1 1 93 93 SER HA H 93 4.215 4.215 4.560 -0.345 18389 2299 1 3 . 1 1 93 93 SER C C 93 174.964 174.964 177.050 -2.086 18389 2300 1 3 . 1 1 93 93 SER CA C 93 53.874 53.874 57.380 -3.506 18389 2301 1 3 . 1 1 93 93 SER CB C 93 61.736 61.736 64.079 -2.343 18389 2302 1 3 . 1 1 93 93 SER H H 93 8.083 8.083 8.563 -0.480 18389 2303 1 3 . 1 1 94 94 ILE N N 94 121.880 121.880 122.049 -0.169 18389 2304 1 3 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.002 0.384 18389 2305 1 3 . 1 1 94 94 ILE C C 94 174.020 174.020 176.378 -2.358 18389 2306 1 3 . 1 1 94 94 ILE CA C 94 60.345 60.345 63.078 -2.733 18389 2307 1 3 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.771 -1.770 18389 2308 1 3 . 1 1 94 94 ILE H H 94 9.150 9.150 8.449 0.701 18389 2309 1 3 . 1 1 95 95 ASN N N 95 117.349 117.349 118.431 -1.082 18389 2310 1 3 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.783 0.272 18389 2311 1 3 . 1 1 95 95 ASN C C 95 173.659 173.659 175.979 -2.320 18389 2312 1 3 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.272 -3.885 18389 2313 1 3 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.298 -2.632 18389 2314 1 3 . 1 1 95 95 ASN H H 95 8.163 8.163 8.171 -0.008 18389 2315 1 3 . 1 1 96 96 GLY N N 96 106.957 106.957 108.546 -1.589 18389 2316 1 3 . 1 1 96 96 GLY C C 96 170.704 170.704 173.742 -3.038 18389 2317 1 3 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.559 -2.240 18389 2318 1 3 . 1 1 96 96 GLY H H 96 7.530 7.530 7.902 -0.372 18389 2319 1 3 . 1 1 97 97 VAL N N 97 119.393 119.393 121.845 -2.452 18389 2320 1 3 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.244 0.110 18389 2321 1 3 . 1 1 97 97 VAL C C 97 173.622 173.622 174.837 -1.215 18389 2322 1 3 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.413 -2.271 18389 2323 1 3 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.239 -2.468 18389 2324 1 3 . 1 1 97 97 VAL H H 97 7.650 7.650 7.631 0.019 18389 2325 1 3 . 1 1 98 98 GLY N N 98 115.075 115.075 115.898 -0.823 18389 2326 1 3 . 1 1 98 98 GLY C C 98 170.065 170.065 172.574 -2.509 18389 2327 1 3 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.117 -2.377 18389 2328 1 3 . 1 1 98 98 GLY H H 98 8.712 8.712 8.745 -0.033 18389 2329 1 3 . 1 1 99 99 ASP N N 99 119.064 119.064 123.238 -4.174 18389 2330 1 3 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.901 -0.226 18389 2331 1 3 . 1 1 99 99 ASP C C 99 172.502 172.502 176.646 -4.144 18389 2332 1 3 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.546 -2.965 18389 2333 1 3 . 1 1 99 99 ASP CB C 99 39.195 39.195 43.320 -4.125 18389 2334 1 3 . 1 1 99 99 ASP H H 99 8.746 8.746 8.519 0.227 18389 2335 1 3 . 1 1 100 100 GLY N N 100 109.333 109.333 110.111 -0.778 18389 2336 1 3 . 1 1 100 100 GLY C C 100 167.638 167.638 172.918 -5.280 18389 2337 1 3 . 1 1 100 100 GLY CA C 100 40.109 40.109 46.224 -6.115 18389 2338 1 3 . 1 1 100 100 GLY H H 100 8.285 8.285 8.466 -0.181 18389 2339 1 3 . 1 1 101 101 GLU N N 101 120.835 120.835 124.546 -3.711 18389 2340 1 3 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.150 0.577 18389 2341 1 3 . 1 1 101 101 GLU C C 101 173.652 173.652 174.048 -0.396 18389 2342 1 3 . 1 1 101 101 GLU CA C 101 55.449 55.449 54.465 0.984 18389 2343 1 3 . 1 1 101 101 GLU CB C 101 31.014 31.014 32.756 -1.742 18389 2344 1 3 . 1 1 101 101 GLU H H 101 8.339 8.339 7.897 0.442 18389 2345 1 3 . 1 1 102 102 HIS N N 102 126.597 126.597 124.721 1.876 18389 2346 1 3 . 1 1 102 102 HIS HA H 102 5.406 5.406 4.898 0.508 18389 2347 1 3 . 1 1 102 102 HIS C C 102 174.479 174.479 174.073 0.406 18389 2348 1 3 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.955 -2.043 18389 2349 1 3 . 1 1 102 102 HIS CB C 102 33.756 33.756 30.696 3.060 18389 2350 1 3 . 1 1 102 102 HIS H H 102 10.029 10.029 8.163 1.866 18389 2351 1 3 . 1 1 103 103 TRP N N 103 125.616 125.616 124.396 1.220 18389 2352 1 3 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.556 -0.525 18389 2353 1 3 . 1 1 103 103 TRP C C 103 173.236 173.236 175.115 -1.879 18389 2354 1 3 . 1 1 103 103 TRP CA C 103 54.833 54.833 55.961 -1.128 18389 2355 1 3 . 1 1 103 103 TRP CB C 103 29.190 29.190 31.651 -2.462 18389 2356 1 3 . 1 1 103 103 TRP H H 103 9.242 9.242 9.124 0.118 18389 2357 1 3 . 1 1 104 104 VAL N N 104 114.086 114.086 118.183 -4.097 18389 2358 1 3 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.657 0.476 18389 2359 1 3 . 1 1 104 104 VAL C C 104 173.194 173.194 173.822 -0.628 18389 2360 1 3 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.336 -2.007 18389 2361 1 3 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.751 -0.308 18389 2362 1 3 . 1 1 104 104 VAL H H 104 10.273 10.273 9.492 0.781 18389 2363 1 3 . 1 1 105 105 TYR N N 105 123.278 123.278 123.193 0.085 18389 2364 1 3 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.906 -0.246 18389 2365 1 3 . 1 1 105 105 TYR C C 105 172.030 172.030 173.599 -1.569 18389 2366 1 3 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.984 -0.262 18389 2367 1 3 . 1 1 105 105 TYR CB C 105 40.973 40.973 42.331 -1.357 18389 2368 1 3 . 1 1 105 105 TYR H H 105 9.219 9.219 9.218 0.001 18389 2369 1 3 . 1 1 106 106 SER N N 106 123.619 123.619 120.417 3.202 18389 2370 1 3 . 1 1 106 106 SER HA H 106 5.226 5.226 5.164 0.062 18389 2371 1 3 . 1 1 106 106 SER C C 106 170.291 170.291 172.597 -2.306 18389 2372 1 3 . 1 1 106 106 SER CA C 106 56.800 56.800 56.699 0.101 18389 2373 1 3 . 1 1 106 106 SER CB C 106 61.265 61.265 64.875 -3.610 18389 2374 1 3 . 1 1 106 106 SER H H 106 7.768 7.768 7.682 0.086 18389 2375 1 3 . 1 1 107 107 ILE N N 107 120.192 120.192 119.290 0.902 18389 2376 1 3 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.387 0.372 18389 2377 1 3 . 1 1 107 107 ILE C C 107 171.471 171.471 173.562 -2.091 18389 2378 1 3 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.560 -2.549 18389 2379 1 3 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.154 -1.395 18389 2380 1 3 . 1 1 107 107 ILE H H 107 8.942 8.942 8.041 0.901 18389 2381 1 3 . 1 1 108 108 THR N N 108 118.723 118.723 115.091 3.632 18389 2382 1 3 . 1 1 108 108 THR HA H 108 5.017 5.017 5.225 -0.208 18389 2383 1 3 . 1 1 108 108 THR C C 108 170.359 170.359 173.165 -2.806 18389 2384 1 3 . 1 1 108 108 THR CA C 108 56.686 56.686 58.244 -1.558 18389 2385 1 3 . 1 1 108 108 THR CB C 108 67.488 67.488 70.323 -2.836 18389 2386 1 3 . 1 1 108 108 THR H H 108 8.718 8.718 8.139 0.579 18389 2387 1 3 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.595 -0.185 18389 2388 1 3 . 1 1 109 109 PRO C C 109 171.443 171.443 176.027 -4.584 18389 2389 1 3 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.443 -2.619 18389 2390 1 3 . 1 1 109 109 PRO CB C 109 29.978 29.978 32.842 -2.864 18389 2391 1 3 . 1 1 110 110 ASP N N 110 122.785 122.785 122.337 0.448 18389 2392 1 3 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.719 0.429 18389 2393 1 3 . 1 1 110 110 ASP C C 110 174.113 174.113 177.319 -3.206 18389 2394 1 3 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.361 -3.305 18389 2395 1 3 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.009 -2.320 18389 2396 1 3 . 1 1 110 110 ASP H H 110 9.061 9.061 8.644 0.417 18389 2397 1 3 . 1 1 111 111 SER N N 111 112.595 112.595 114.368 -1.773 18389 2398 1 3 . 1 1 111 111 SER HA H 111 4.432 4.432 4.465 -0.033 18389 2399 1 3 . 1 1 111 111 SER CA C 111 58.333 58.333 59.855 -1.522 18389 2400 1 3 . 1 1 111 111 SER CB C 111 61.046 61.046 63.780 -2.734 18389 2401 1 3 . 1 1 111 111 SER H H 111 8.435 8.435 8.686 -0.251 18389 2402 1 3 . 1 1 112 112 SER N N 112 116.615 116.615 113.537 3.078 18389 2403 1 3 . 1 1 112 112 SER HA H 112 4.862 4.862 4.530 0.332 18389 2404 1 3 . 1 1 112 112 SER C C 112 170.519 170.519 173.067 -2.548 18389 2405 1 3 . 1 1 112 112 SER CA C 112 54.017 54.017 57.088 -3.071 18389 2406 1 3 . 1 1 112 112 SER CB C 112 62.948 62.948 65.316 -2.368 18389 2407 1 3 . 1 1 112 112 SER H H 112 8.035 8.035 7.645 0.390 18389 2408 1 3 . 1 1 113 113 TRP N N 113 120.576 120.576 123.470 -2.894 18389 2409 1 3 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.784 -0.230 18389 2410 1 3 . 1 1 113 113 TRP C C 113 174.599 174.599 176.715 -2.116 18389 2411 1 3 . 1 1 113 113 TRP CA C 113 56.882 56.882 55.255 1.627 18389 2412 1 3 . 1 1 113 113 TRP CB C 113 27.360 27.360 28.843 -1.482 18389 2413 1 3 . 1 1 113 113 TRP H H 113 8.318 8.318 8.746 -0.428 18389 2414 1 3 . 1 1 114 114 LYS N N 114 123.372 123.372 125.368 -1.996 18389 2415 1 3 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.648 0.246 18389 2416 1 3 . 1 1 114 114 LYS C C 114 172.772 172.772 176.665 -3.893 18389 2417 1 3 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.701 -1.753 18389 2418 1 3 . 1 1 114 114 LYS CB C 114 34.250 34.250 33.529 0.721 18389 2419 1 3 . 1 1 114 114 LYS H H 114 8.782 8.782 8.148 0.634 18389 2420 1 3 . 1 1 115 115 THR N N 115 120.929 120.929 119.221 1.708 18389 2421 1 3 . 1 1 115 115 THR HA H 115 5.226 5.226 4.429 0.797 18389 2422 1 3 . 1 1 115 115 THR C C 115 171.778 171.778 174.672 -2.894 18389 2423 1 3 . 1 1 115 115 THR CA C 115 59.671 59.671 63.471 -3.800 18389 2424 1 3 . 1 1 115 115 THR CB C 115 66.938 66.938 68.272 -1.334 18389 2425 1 3 . 1 1 115 115 THR H H 115 8.689 8.689 8.656 0.033 18389 2426 1 3 . 1 1 116 116 ILE N N 116 131.929 131.929 129.868 2.061 18389 2427 1 3 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.156 0.028 18389 2428 1 3 . 1 1 116 116 ILE C C 116 171.012 171.012 174.956 -3.944 18389 2429 1 3 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.824 -4.467 18389 2430 1 3 . 1 1 116 116 ILE CB C 116 34.331 34.331 36.622 -2.291 18389 2431 1 3 . 1 1 116 116 ILE H H 116 9.470 9.470 9.039 0.431 18389 2432 1 3 . 1 1 117 117 GLU N N 117 124.514 124.514 127.160 -2.646 18389 2433 1 3 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.640 0.230 18389 2434 1 3 . 1 1 117 117 GLU C C 117 173.332 173.332 175.817 -2.485 18389 2435 1 3 . 1 1 117 117 GLU CA C 117 51.798 51.798 54.659 -2.861 18389 2436 1 3 . 1 1 117 117 GLU CB C 117 29.693 29.693 28.952 0.741 18389 2437 1 3 . 1 1 117 117 GLU H H 117 8.089 8.089 8.018 0.071 18389 2438 1 3 . 1 1 118 118 ILE N N 118 125.005 125.005 124.886 0.119 18389 2439 1 3 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.263 0.160 18389 2440 1 3 . 1 1 118 118 ILE C C 118 171.765 171.765 174.456 -2.691 18389 2441 1 3 . 1 1 118 118 ILE CA C 118 55.640 55.640 57.312 -1.672 18389 2442 1 3 . 1 1 118 118 ILE CB C 118 37.429 37.429 37.138 0.291 18389 2443 1 3 . 1 1 118 118 ILE H H 118 9.322 9.322 7.701 1.621 18389 2444 1 3 . 1 1 119 119 PRO HA H 119 4.837 4.837 5.152 -0.315 18389 2445 1 3 . 1 1 119 119 PRO C C 119 176.780 176.780 178.964 -2.184 18389 2446 1 3 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.697 -2.293 18389 2447 1 3 . 1 1 119 119 PRO CB C 119 29.065 29.065 33.048 -3.983 18389 2448 1 3 . 1 1 120 120 PHE N N 120 124.627 124.627 119.303 5.324 18389 2449 1 3 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.221 0.773 18389 2450 1 3 . 1 1 120 120 PHE C C 120 175.402 175.402 176.905 -1.503 18389 2451 1 3 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.590 -1.318 18389 2452 1 3 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.750 -2.505 18389 2453 1 3 . 1 1 120 120 PHE H H 120 8.160 8.160 8.646 -0.486 18389 2454 1 3 . 1 1 121 121 SER N N 121 110.551 110.551 112.683 -2.132 18389 2455 1 3 . 1 1 121 121 SER HA H 121 4.647 4.647 3.751 0.896 18389 2456 1 3 . 1 1 121 121 SER C C 121 173.187 173.187 175.724 -2.537 18389 2457 1 3 . 1 1 121 121 SER CA C 121 57.359 57.359 59.184 -1.825 18389 2458 1 3 . 1 1 121 121 SER CB C 121 60.639 60.639 61.859 -1.220 18389 2459 1 3 . 1 1 121 121 SER H H 121 8.367 8.367 7.974 0.393 18389 2460 1 3 . 1 1 122 122 SER N N 122 117.166 117.166 118.497 -1.331 18389 2461 1 3 . 1 1 122 122 SER HA H 122 4.946 4.946 4.362 0.584 18389 2462 1 3 . 1 1 122 122 SER C C 122 172.296 172.296 174.244 -1.948 18389 2463 1 3 . 1 1 122 122 SER CA C 122 57.525 57.525 58.782 -1.257 18389 2464 1 3 . 1 1 122 122 SER CB C 122 61.716 61.716 63.527 -1.811 18389 2465 1 3 . 1 1 122 122 SER H H 122 8.537 8.537 7.509 1.028 18389 2466 1 3 . 1 1 123 123 PHE N N 123 119.840 119.840 121.146 -1.306 18389 2467 1 3 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.724 -0.077 18389 2468 1 3 . 1 1 123 123 PHE C C 123 173.527 173.527 176.129 -2.602 18389 2469 1 3 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.850 -1.072 18389 2470 1 3 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.883 -1.335 18389 2471 1 3 . 1 1 123 123 PHE H H 123 7.807 7.807 7.463 0.344 18389 2472 1 3 . 1 1 124 124 ARG N N 124 120.098 120.098 122.544 -2.446 18389 2473 1 3 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.018 0.323 18389 2474 1 3 . 1 1 124 124 ARG C C 124 172.631 172.631 175.234 -2.603 18389 2475 1 3 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.591 -2.266 18389 2476 1 3 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.087 -2.366 18389 2477 1 3 . 1 1 124 124 ARG H H 124 9.297 9.297 9.360 -0.063 18389 2478 1 3 . 1 1 125 125 ARG N N 125 126.739 126.739 120.876 5.863 18389 2479 1 3 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.166 -1.204 18389 2480 1 3 . 1 1 125 125 ARG C C 125 174.319 174.319 176.392 -2.073 18389 2481 1 3 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.198 -0.162 18389 2482 1 3 . 1 1 125 125 ARG CB C 125 27.348 27.348 31.557 -4.209 18389 2483 1 3 . 1 1 125 125 ARG H H 125 8.611 8.611 8.562 0.049 18389 2484 1 3 . 1 1 126 126 ARG N N 126 126.556 126.556 123.706 2.850 18389 2485 1 3 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.605 -0.641 18389 2486 1 3 . 1 1 126 126 ARG C C 126 174.021 174.021 174.603 -0.582 18389 2487 1 3 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.502 0.035 18389 2488 1 3 . 1 1 126 126 ARG CB C 126 29.739 29.739 31.848 -2.109 18389 2489 1 3 . 1 1 126 126 ARG H H 126 7.917 7.917 8.011 -0.094 18389 2490 1 3 . 1 1 127 127 LEU N N 127 124.550 124.550 125.469 -0.919 18389 2491 1 3 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.617 0.037 18389 2492 1 3 . 1 1 127 127 LEU C C 127 175.775 175.775 176.265 -0.490 18389 2493 1 3 . 1 1 127 127 LEU CA C 127 53.208 53.208 56.360 -3.152 18389 2494 1 3 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.643 -1.265 18389 2495 1 3 . 1 1 127 127 LEU H H 127 8.817 8.817 8.624 0.193 18389 2496 1 3 . 1 1 128 128 ASP N N 128 116.209 116.209 119.235 -3.026 18389 2497 1 3 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.565 -0.016 18389 2498 1 3 . 1 1 128 128 ASP C C 128 172.491 172.491 175.142 -2.651 18389 2499 1 3 . 1 1 128 128 ASP CA C 128 52.492 52.492 54.834 -2.342 18389 2500 1 3 . 1 1 128 128 ASP CB C 128 36.582 36.582 40.842 -4.260 18389 2501 1 3 . 1 1 128 128 ASP H H 128 9.072 9.072 8.211 0.861 18389 2502 1 3 . 1 1 129 129 TYR N N 129 119.329 119.329 120.809 -1.480 18389 2503 1 3 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.529 -0.176 18389 2504 1 3 . 1 1 129 129 TYR C C 129 169.992 169.992 174.064 -4.072 18389 2505 1 3 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.681 -1.336 18389 2506 1 3 . 1 1 129 129 TYR CB C 129 38.447 38.447 38.819 -0.372 18389 2507 1 3 . 1 1 129 129 TYR H H 129 7.002 7.002 7.780 -0.778 18389 2508 1 3 . 1 1 130 130 GLN N N 130 121.469 121.469 125.069 -3.600 18389 2509 1 3 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.244 -0.335 18389 2510 1 3 . 1 1 130 130 GLN C C 130 170.223 170.223 173.377 -3.154 18389 2511 1 3 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.844 -3.055 18389 2512 1 3 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.236 -1.611 18389 2513 1 3 . 1 1 130 130 GLN H H 130 6.288 6.288 8.112 -1.824 18389 2514 1 3 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.414 -0.004 18389 2515 1 3 . 1 1 132 132 PRO C C 132 175.720 175.720 177.681 -1.961 18389 2516 1 3 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.583 -1.510 18389 2517 1 3 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.275 -3.160 18389 2518 1 3 . 1 1 133 133 GLY N N 133 104.558 104.558 108.743 -4.185 18389 2519 1 3 . 1 1 133 133 GLY C C 133 171.229 171.229 173.301 -2.072 18389 2520 1 3 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.781 -2.266 18389 2521 1 3 . 1 1 133 133 GLY H H 133 8.298 8.298 8.519 -0.221 18389 2522 1 3 . 1 1 134 134 GLN N N 134 116.684 116.684 119.481 -2.797 18389 2523 1 3 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.884 -0.517 18389 2524 1 3 . 1 1 134 134 GLN C C 134 172.815 172.815 175.382 -2.567 18389 2525 1 3 . 1 1 134 134 GLN CA C 134 53.804 53.804 53.763 0.041 18389 2526 1 3 . 1 1 134 134 GLN CB C 134 24.866 24.866 31.207 -6.341 18389 2527 1 3 . 1 1 134 134 GLN H H 134 7.273 7.273 7.531 -0.258 18389 2528 1 3 . 1 1 135 135 ASP N N 135 118.688 118.688 126.073 -7.385 18389 2529 1 3 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.438 -0.076 18389 2530 1 3 . 1 1 135 135 ASP C C 135 174.301 174.301 176.842 -2.541 18389 2531 1 3 . 1 1 135 135 ASP CA C 135 51.810 51.810 55.678 -3.868 18389 2532 1 3 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.742 -4.838 18389 2533 1 3 . 1 1 135 135 ASP H H 135 8.844 8.844 8.793 0.051 18389 2534 1 3 . 1 1 136 136 MET N N 136 114.721 114.721 113.416 1.305 18389 2535 1 3 . 1 1 136 136 MET HA H 136 4.035 4.035 4.198 -0.163 18389 2536 1 3 . 1 1 136 136 MET C C 136 174.252 174.252 176.326 -2.074 18389 2537 1 3 . 1 1 136 136 MET CA C 136 54.461 54.461 56.684 -2.223 18389 2538 1 3 . 1 1 136 136 MET CB C 136 29.439 29.439 30.114 -0.675 18389 2539 1 3 . 1 1 136 136 MET H H 136 7.585 7.585 8.049 -0.464 18389 2540 1 3 . 1 1 137 137 SER N N 137 118.130 118.130 113.822 4.308 18389 2541 1 3 . 1 1 137 137 SER HA H 137 4.392 4.392 4.453 -0.061 18389 2542 1 3 . 1 1 137 137 SER C C 137 174.811 174.811 176.197 -1.386 18389 2543 1 3 . 1 1 137 137 SER CA C 137 57.841 57.841 59.296 -1.455 18389 2544 1 3 . 1 1 137 137 SER CB C 137 62.369 62.369 63.859 -1.490 18389 2545 1 3 . 1 1 137 137 SER H H 137 9.140 9.140 8.685 0.455 18389 2546 1 3 . 1 1 138 138 GLY N N 138 114.534 114.534 110.928 3.606 18389 2547 1 3 . 1 1 138 138 GLY C C 138 170.903 170.903 173.867 -2.964 18389 2548 1 3 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.858 -1.661 18389 2549 1 3 . 1 1 138 138 GLY H H 138 10.549 10.549 9.166 1.383 18389 2550 1 3 . 1 1 139 139 THR N N 139 112.564 112.564 116.370 -3.806 18389 2551 1 3 . 1 1 139 139 THR HA H 139 4.538 4.538 4.636 -0.098 18389 2552 1 3 . 1 1 139 139 THR C C 139 168.086 168.086 173.014 -4.928 18389 2553 1 3 . 1 1 139 139 THR CA C 139 57.132 57.132 60.818 -3.686 18389 2554 1 3 . 1 1 139 139 THR CB C 139 68.854 68.854 71.625 -2.771 18389 2555 1 3 . 1 1 139 139 THR H H 139 8.504 8.504 7.534 0.970 18389 2556 1 3 . 1 1 140 140 LEU N N 140 129.971 129.971 126.856 3.115 18389 2557 1 3 . 1 1 140 140 LEU HA H 140 3.771 3.771 3.945 -0.174 18389 2558 1 3 . 1 1 140 140 LEU C C 140 172.175 172.175 175.834 -3.659 18389 2559 1 3 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.860 -2.525 18389 2560 1 3 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.112 -5.240 18389 2561 1 3 . 1 1 140 140 LEU H H 140 7.900 7.900 8.078 -0.178 18389 2562 1 3 . 1 1 141 141 ASP N N 141 132.200 132.200 129.765 2.435 18389 2563 1 3 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.795 -0.091 18389 2564 1 3 . 1 1 141 141 ASP C C 141 172.137 172.137 176.003 -3.866 18389 2565 1 3 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.764 -2.072 18389 2566 1 3 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.307 -2.746 18389 2567 1 3 . 1 1 141 141 ASP H H 141 9.101 9.101 9.106 -0.005 18389 2568 1 3 . 1 1 142 142 LEU N N 142 122.667 122.667 122.908 -0.241 18389 2569 1 3 . 1 1 142 142 LEU HA H 142 3.740 3.740 4.136 -0.396 18389 2570 1 3 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.451 -2.704 18389 2571 1 3 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.141 -1.243 18389 2572 1 3 . 1 1 142 142 LEU H H 142 7.799 7.799 8.256 -0.457 18389 2573 1 3 . 1 1 143 143 ASP N N 143 112.789 112.789 117.493 -4.704 18389 2574 1 3 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.457 0.459 18389 2575 1 3 . 1 1 143 143 ASP C C 143 173.547 173.547 176.005 -2.458 18389 2576 1 3 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.047 -4.946 18389 2577 1 3 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.636 -3.338 18389 2578 1 3 . 1 1 143 143 ASP H H 143 8.473 8.473 8.481 -0.008 18389 2579 1 3 . 1 1 144 144 ASN N N 144 120.743 120.743 116.560 4.183 18389 2580 1 3 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.929 0.150 18389 2581 1 3 . 1 1 144 144 ASN C C 144 171.278 171.278 173.347 -2.069 18389 2582 1 3 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.613 -3.139 18389 2583 1 3 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.228 -1.049 18389 2584 1 3 . 1 1 144 144 ASN H H 144 7.867 7.867 7.635 0.232 18389 2585 1 3 . 1 1 145 145 ILE N N 145 122.844 122.844 121.988 0.856 18389 2586 1 3 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.390 -0.550 18389 2587 1 3 . 1 1 145 145 ILE C C 145 172.420 172.420 174.399 -1.979 18389 2588 1 3 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.113 -1.252 18389 2589 1 3 . 1 1 145 145 ILE CB C 145 33.407 33.407 38.144 -4.737 18389 2590 1 3 . 1 1 145 145 ILE H H 145 8.770 8.770 8.208 0.562 18389 2591 1 3 . 1 1 146 146 ASP N N 146 125.428 125.428 126.871 -1.443 18389 2592 1 3 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.555 0.098 18389 2593 1 3 . 1 1 146 146 ASP C C 146 172.931 172.931 175.794 -2.863 18389 2594 1 3 . 1 1 146 146 ASP CA C 146 53.352 53.352 56.024 -2.672 18389 2595 1 3 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.286 0.626 18389 2596 1 3 . 1 1 146 146 ASP H H 146 9.355 9.355 8.928 0.427 18389 2597 1 3 . 1 1 147 147 SER N N 147 108.442 108.442 110.362 -1.920 18389 2598 1 3 . 1 1 147 147 SER HA H 147 5.054 5.054 4.961 0.093 18389 2599 1 3 . 1 1 147 147 SER C C 147 169.957 169.957 172.355 -2.398 18389 2600 1 3 . 1 1 147 147 SER CA C 147 54.584 54.584 57.609 -3.025 18389 2601 1 3 . 1 1 147 147 SER CB C 147 62.518 62.518 65.934 -3.416 18389 2602 1 3 . 1 1 147 147 SER H H 147 7.927 7.927 7.582 0.345 18389 2603 1 3 . 1 1 148 148 ILE N N 148 110.150 110.150 114.564 -4.414 18389 2604 1 3 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.081 0.568 18389 2605 1 3 . 1 1 148 148 ILE C C 148 171.932 171.932 173.476 -1.544 18389 2606 1 3 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.206 -2.584 18389 2607 1 3 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.521 -2.808 18389 2608 1 3 . 1 1 148 148 ILE H H 148 8.043 8.043 8.771 -0.728 18389 2609 1 3 . 1 1 149 149 HIS N N 149 118.612 118.612 121.088 -2.476 18389 2610 1 3 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.147 1.343 18389 2611 1 3 . 1 1 149 149 HIS C C 149 174.287 174.287 173.549 0.738 18389 2612 1 3 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.108 -2.206 18389 2613 1 3 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.152 -1.193 18389 2614 1 3 . 1 1 149 149 HIS H H 149 9.331 9.331 8.835 0.496 18389 2615 1 3 . 1 1 150 150 PHE N N 150 117.037 117.037 119.147 -2.110 18389 2616 1 3 . 1 1 150 150 PHE HA H 150 5.530 5.530 5.585 -0.055 18389 2617 1 3 . 1 1 150 150 PHE C C 150 172.808 172.808 174.498 -1.690 18389 2618 1 3 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.820 -0.317 18389 2619 1 3 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.754 -2.474 18389 2620 1 3 . 1 1 150 150 PHE H H 150 8.788 8.788 8.321 0.467 18389 2621 1 3 . 1 1 151 151 MET N N 151 119.781 119.781 118.654 1.127 18389 2622 1 3 . 1 1 151 151 MET HA H 151 4.664 4.664 4.701 -0.037 18389 2623 1 3 . 1 1 151 151 MET C C 151 170.282 170.282 173.327 -3.045 18389 2624 1 3 . 1 1 151 151 MET CA C 151 52.146 52.146 54.236 -2.090 18389 2625 1 3 . 1 1 151 151 MET CB C 151 34.947 34.947 38.127 -3.180 18389 2626 1 3 . 1 1 151 151 MET H H 151 9.761 9.761 9.071 0.690 18389 2627 1 3 . 1 1 152 152 TYR N N 152 117.149 117.149 118.085 -0.936 18389 2628 1 3 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.729 -0.653 18389 2629 1 3 . 1 1 152 152 TYR C C 152 171.554 171.554 173.665 -2.111 18389 2630 1 3 . 1 1 152 152 TYR CA C 152 55.345 55.345 54.366 0.979 18389 2631 1 3 . 1 1 152 152 TYR CB C 152 36.904 36.904 39.471 -2.567 18389 2632 1 3 . 1 1 152 152 TYR H H 152 6.275 6.275 7.832 -1.557 18389 2633 1 3 . 1 1 153 153 ALA N N 153 121.523 121.523 122.188 -0.665 18389 2634 1 3 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.262 -0.099 18389 2635 1 3 . 1 1 153 153 ALA C C 153 173.777 173.777 175.602 -1.825 18389 2636 1 3 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.700 -2.515 18389 2637 1 3 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.138 0.827 18389 2638 1 3 . 1 1 153 153 ALA H H 153 10.019 10.019 8.564 1.455 18389 2639 1 3 . 1 1 154 154 ASN N N 154 114.643 114.643 115.758 -1.115 18389 2640 1 3 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.527 0.657 18389 2641 1 3 . 1 1 154 154 ASN C C 154 173.267 173.267 173.107 0.160 18389 2642 1 3 . 1 1 154 154 ASN CA C 154 49.915 49.915 51.392 -1.477 18389 2643 1 3 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.614 -3.901 18389 2644 1 3 . 1 1 154 154 ASN H H 154 8.141 8.141 6.668 1.473 18389 2645 1 3 . 1 1 156 156 LYS N N 156 119.099 119.099 121.108 -2.009 18389 2646 1 3 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.494 0.244 18389 2647 1 3 . 1 1 156 156 LYS C C 156 173.965 173.965 176.483 -2.518 18389 2648 1 3 . 1 1 156 156 LYS CA C 156 53.872 53.872 55.735 -1.863 18389 2649 1 3 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.194 -2.768 18389 2650 1 3 . 1 1 156 156 LYS H H 156 8.298 8.298 8.081 0.217 18389 2651 1 3 . 1 1 157 157 SER N N 157 115.584 115.584 115.210 0.374 18389 2652 1 3 . 1 1 157 157 SER HA H 157 5.055 5.055 4.730 0.325 18389 2653 1 3 . 1 1 157 157 SER C C 157 169.925 169.925 174.140 -4.215 18389 2654 1 3 . 1 1 157 157 SER CA C 157 55.617 55.617 58.074 -2.457 18389 2655 1 3 . 1 1 157 157 SER CB C 157 63.180 63.180 65.146 -1.966 18389 2656 1 3 . 1 1 157 157 SER H H 157 8.240 8.240 8.524 -0.284 18389 2657 1 3 . 1 1 158 158 GLY N N 158 108.219 108.219 107.795 0.424 18389 2658 1 3 . 1 1 158 158 GLY C C 158 168.322 168.322 171.852 -3.530 18389 2659 1 3 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.908 -2.344 18389 2660 1 3 . 1 1 158 158 GLY H H 158 6.942 6.942 8.798 -1.856 18389 2661 1 3 . 1 1 159 159 LYS N N 159 116.608 116.608 121.188 -4.580 18389 2662 1 3 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.510 0.011 18389 2663 1 3 . 1 1 159 159 LYS C C 159 172.966 172.966 175.636 -2.670 18389 2664 1 3 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.763 -1.622 18389 2665 1 3 . 1 1 159 159 LYS CB C 159 34.705 34.705 35.854 -1.149 18389 2666 1 3 . 1 1 159 159 LYS H H 159 7.925 7.925 9.082 -1.157 18389 2667 1 3 . 1 1 160 160 PHE N N 160 121.804 121.804 119.633 2.171 18389 2668 1 3 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.293 0.232 18389 2669 1 3 . 1 1 160 160 PHE C C 160 168.125 168.125 172.704 -4.579 18389 2670 1 3 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.054 -2.739 18389 2671 1 3 . 1 1 160 160 PHE CB C 160 39.051 39.051 42.643 -3.592 18389 2672 1 3 . 1 1 160 160 PHE H H 160 8.834 8.834 8.760 0.074 18389 2673 1 3 . 1 1 161 161 VAL N N 161 119.787 119.787 114.371 5.416 18389 2674 1 3 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.436 -0.058 18389 2675 1 3 . 1 1 161 161 VAL C C 161 170.736 170.736 175.337 -4.601 18389 2676 1 3 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.974 -3.318 18389 2677 1 3 . 1 1 161 161 VAL CB C 161 31.937 31.937 34.902 -2.965 18389 2678 1 3 . 1 1 161 161 VAL H H 161 9.277 9.277 9.145 0.132 18389 2679 1 3 . 1 1 162 162 VAL N N 162 121.357 121.357 122.579 -1.222 18389 2680 1 3 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.336 0.631 18389 2681 1 3 . 1 1 162 162 VAL C C 162 170.928 170.928 174.356 -3.428 18389 2682 1 3 . 1 1 162 162 VAL CA C 162 55.686 55.686 60.728 -5.042 18389 2683 1 3 . 1 1 162 162 VAL CB C 162 33.842 33.842 36.111 -2.269 18389 2684 1 3 . 1 1 162 162 VAL H H 162 8.453 8.453 9.326 -0.873 18389 2685 1 3 . 1 1 163 163 ASP N N 163 119.088 119.088 122.318 -3.230 18389 2686 1 3 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.396 0.183 18389 2687 1 3 . 1 1 163 163 ASP C C 163 172.563 172.563 174.664 -2.101 18389 2688 1 3 . 1 1 163 163 ASP CA C 163 49.482 49.482 51.637 -2.155 18389 2689 1 3 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.891 -2.428 18389 2690 1 3 . 1 1 163 163 ASP H H 163 9.233 9.233 8.335 0.898 18389 2691 1 3 . 1 1 164 164 ASN N N 164 117.316 117.316 116.121 1.195 18389 2692 1 3 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.286 0.363 18389 2693 1 3 . 1 1 164 164 ASN C C 164 170.940 170.940 174.340 -3.400 18389 2694 1 3 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.305 -1.633 18389 2695 1 3 . 1 1 164 164 ASN CB C 164 35.395 35.395 36.643 -1.248 18389 2696 1 3 . 1 1 164 164 ASN H H 164 9.864 9.864 8.907 0.957 18389 2697 1 3 . 1 1 165 165 ILE N N 165 118.660 118.660 120.312 -1.652 18389 2698 1 3 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.587 0.852 18389 2699 1 3 . 1 1 165 165 ILE C C 165 173.336 173.336 175.613 -2.277 18389 2700 1 3 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.133 -2.978 18389 2701 1 3 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.935 -2.748 18389 2702 1 3 . 1 1 165 165 ILE H H 165 8.716 8.716 8.173 0.543 18389 2703 1 3 . 1 1 166 166 LYS N N 166 127.896 127.896 125.242 2.654 18389 2704 1 3 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.088 0.090 18389 2705 1 3 . 1 1 166 166 LYS C C 166 170.453 170.453 174.464 -4.011 18389 2706 1 3 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.253 -1.729 18389 2707 1 3 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.824 -1.578 18389 2708 1 3 . 1 1 166 166 LYS H H 166 9.921 9.921 8.931 0.990 18389 2709 1 3 . 1 1 167 167 LEU N N 167 120.747 120.747 119.692 1.055 18389 2710 1 3 . 1 1 167 167 LEU HA H 167 4.836 4.836 5.014 -0.178 18389 2711 1 3 . 1 1 167 167 LEU C C 167 173.703 173.703 175.377 -1.674 18389 2712 1 3 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.018 -2.439 18389 2713 1 3 . 1 1 167 167 LEU CB C 167 40.711 40.711 45.645 -4.934 18389 2714 1 3 . 1 1 167 167 LEU H H 167 8.552 8.552 8.900 -0.348 18389 2715 1 3 . 1 1 168 168 ILE N N 168 116.914 116.914 120.179 -3.265 18389 2716 1 3 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.727 0.262 18389 2717 1 3 . 1 1 168 168 ILE C C 168 173.923 173.923 176.683 -2.760 18389 2718 1 3 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.695 -1.319 18389 2719 1 3 . 1 1 168 168 ILE CB C 168 38.938 38.938 37.264 1.674 18389 2720 1 3 . 1 1 168 168 ILE H H 168 8.523 8.523 8.807 -0.284 18389 2721 1 3 . 1 1 169 169 GLY N N 169 114.527 114.527 114.256 0.271 18389 2722 1 3 . 1 1 169 169 GLY C C 169 169.252 169.252 173.423 -4.171 18389 2723 1 3 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.943 -2.018 18389 2724 1 3 . 1 1 169 169 GLY H H 169 8.942 8.942 9.017 -0.075 18389 2725 1 3 . 1 1 170 170 ALA N N 170 123.678 123.678 121.347 2.331 18389 2726 1 3 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.692 -0.268 18389 2727 1 3 . 1 1 170 170 ALA C C 170 174.985 174.985 175.897 -0.912 18389 2728 1 3 . 1 1 170 170 ALA CA C 170 49.344 49.344 50.724 -1.380 18389 2729 1 3 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.613 -3.526 18389 2730 1 3 . 1 1 170 170 ALA H H 170 8.321 8.321 7.404 0.917 18389 2731 1 3 . 1 1 171 171 LEU N N 171 122.139 122.139 119.267 2.872 18389 2732 1 3 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.575 -0.170 18389 2733 1 3 . 1 1 171 171 LEU C C 171 174.478 174.478 174.987 -0.509 18389 2734 1 3 . 1 1 171 171 LEU CA C 171 52.634 52.634 55.053 -2.419 18389 2735 1 3 . 1 1 171 171 LEU CB C 171 40.111 40.111 42.477 -2.366 18389 2736 1 3 . 1 1 171 171 LEU H H 171 8.182 8.182 8.206 -0.024 18389 2737 1 4 . 1 1 2 2 ALA N N 2 119.048 119.048 126.069 -7.021 18389 2738 1 4 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.877 -0.593 18389 2739 1 4 . 1 1 2 2 ALA C C 2 174.144 174.144 177.141 -2.997 18389 2740 1 4 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.402 -3.019 18389 2741 1 4 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.803 0.026 18389 2742 1 4 . 1 1 2 2 ALA H H 2 9.577 9.577 8.297 1.280 18389 2743 1 4 . 1 1 3 3 SER N N 3 114.278 114.278 118.009 -3.731 18389 2744 1 4 . 1 1 3 3 SER C C 3 173.040 173.040 173.630 -0.590 18389 2745 1 4 . 1 1 3 3 SER H H 3 8.152 8.152 8.283 -0.131 18389 2746 1 4 . 1 1 6 6 GLY N N 6 112.362 112.362 113.992 -1.630 18389 2747 1 4 . 1 1 6 6 GLY C C 6 170.686 170.686 174.036 -3.350 18389 2748 1 4 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.407 -2.094 18389 2749 1 4 . 1 1 6 6 GLY H H 6 8.750 8.750 8.782 -0.032 18389 2750 1 4 . 1 1 7 7 GLU N N 7 117.722 117.722 119.378 -1.656 18389 2751 1 4 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.647 0.782 18389 2752 1 4 . 1 1 7 7 GLU C C 7 172.744 172.744 175.913 -3.169 18389 2753 1 4 . 1 1 7 7 GLU CA C 7 52.248 52.248 56.271 -4.023 18389 2754 1 4 . 1 1 7 7 GLU CB C 7 31.170 31.170 30.439 0.730 18389 2755 1 4 . 1 1 7 7 GLU H H 7 8.078 8.078 7.940 0.138 18389 2756 1 4 . 1 1 8 8 LYS N N 8 122.832 122.832 122.549 0.283 18389 2757 1 4 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.726 -0.187 18389 2758 1 4 . 1 1 8 8 LYS C C 8 171.963 171.963 175.486 -3.523 18389 2759 1 4 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.386 -1.821 18389 2760 1 4 . 1 1 8 8 LYS CB C 8 33.185 33.185 34.993 -1.808 18389 2761 1 4 . 1 1 8 8 LYS H H 8 8.434 8.434 8.839 -0.405 18389 2762 1 4 . 1 1 9 9 MET N N 9 128.562 128.562 123.694 4.868 18389 2763 1 4 . 1 1 9 9 MET HA H 9 4.536 4.536 4.339 0.197 18389 2764 1 4 . 1 1 9 9 MET C C 9 172.911 172.911 175.421 -2.510 18389 2765 1 4 . 1 1 9 9 MET CA C 9 53.012 53.012 56.698 -3.686 18389 2766 1 4 . 1 1 9 9 MET CB C 9 28.376 28.376 32.102 -3.726 18389 2767 1 4 . 1 1 9 9 MET H H 9 8.984 8.984 8.790 0.194 18389 2768 1 4 . 1 1 10 10 LEU N N 10 129.881 129.881 125.204 4.677 18389 2769 1 4 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.614 0.050 18389 2770 1 4 . 1 1 10 10 LEU C C 10 174.887 174.887 177.005 -2.118 18389 2771 1 4 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.206 -1.993 18389 2772 1 4 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.501 -3.102 18389 2773 1 4 . 1 1 10 10 LEU H H 10 9.751 9.751 8.893 0.858 18389 2774 1 4 . 1 1 11 11 ASP N N 11 115.516 115.516 116.904 -1.388 18389 2775 1 4 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.770 -0.047 18389 2776 1 4 . 1 1 11 11 ASP C C 11 170.836 170.836 174.137 -3.301 18389 2777 1 4 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.874 -0.291 18389 2778 1 4 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.767 -3.548 18389 2779 1 4 . 1 1 11 11 ASP H H 11 8.110 8.110 7.668 0.442 18389 2780 1 4 . 1 1 12 12 ASP N N 12 124.144 124.144 124.618 -0.474 18389 2781 1 4 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.892 -0.041 18389 2782 1 4 . 1 1 12 12 ASP C C 12 175.055 175.055 176.727 -1.672 18389 2783 1 4 . 1 1 12 12 ASP CA C 12 50.310 50.310 51.894 -1.584 18389 2784 1 4 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.115 -2.920 18389 2785 1 4 . 1 1 12 12 ASP H H 12 8.053 8.053 8.834 -0.781 18389 2786 1 4 . 1 1 13 13 PHE N N 13 117.584 117.584 115.798 1.786 18389 2787 1 4 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.241 0.031 18389 2788 1 4 . 1 1 13 13 PHE C C 13 171.960 171.960 175.302 -3.342 18389 2789 1 4 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.115 -0.202 18389 2790 1 4 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.567 -4.392 18389 2791 1 4 . 1 1 13 13 PHE H H 13 9.327 9.327 8.157 1.170 18389 2792 1 4 . 1 1 14 14 GLU N N 14 113.122 113.122 116.907 -3.785 18389 2793 1 4 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.588 0.461 18389 2794 1 4 . 1 1 14 14 GLU C C 14 175.300 175.300 177.206 -1.906 18389 2795 1 4 . 1 1 14 14 GLU CA C 14 51.981 51.981 56.898 -4.917 18389 2796 1 4 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.714 -4.720 18389 2797 1 4 . 1 1 14 14 GLU H H 14 8.165 8.165 8.529 -0.364 18389 2798 1 4 . 1 1 15 15 GLY N N 15 110.108 110.108 107.573 2.535 18389 2799 1 4 . 1 1 15 15 GLY C C 15 171.609 171.609 173.023 -1.414 18389 2800 1 4 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.473 -2.619 18389 2801 1 4 . 1 1 15 15 GLY H H 15 8.117 8.117 7.531 0.586 18389 2802 1 4 . 1 1 16 16 VAL N N 16 121.792 121.792 120.158 1.634 18389 2803 1 4 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.044 0.227 18389 2804 1 4 . 1 1 16 16 VAL C C 16 173.203 173.203 176.419 -3.216 18389 2805 1 4 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.368 -3.085 18389 2806 1 4 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.507 -2.306 18389 2807 1 4 . 1 1 16 16 VAL H H 16 8.190 8.190 8.157 0.033 18389 2808 1 4 . 1 1 17 17 LEU N N 17 124.682 124.682 125.280 -0.598 18389 2809 1 4 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.410 0.488 18389 2810 1 4 . 1 1 17 17 LEU C C 17 174.685 174.685 176.642 -1.957 18389 2811 1 4 . 1 1 17 17 LEU CA C 17 52.798 52.798 56.067 -3.269 18389 2812 1 4 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.587 -3.451 18389 2813 1 4 . 1 1 17 17 LEU H H 17 8.500 8.500 8.418 0.082 18389 2814 1 4 . 1 1 18 18 ASN N N 18 127.589 127.589 121.991 5.598 18389 2815 1 4 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.443 0.704 18389 2816 1 4 . 1 1 18 18 ASN C C 18 171.583 171.583 173.407 -1.824 18389 2817 1 4 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.070 -1.093 18389 2818 1 4 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.160 -1.017 18389 2819 1 4 . 1 1 18 18 ASN H H 18 9.956 9.956 8.100 1.856 18389 2820 1 4 . 1 1 19 19 TRP N N 19 119.913 119.913 117.989 1.924 18389 2821 1 4 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.105 -0.047 18389 2822 1 4 . 1 1 19 19 TRP C C 19 174.918 174.918 177.102 -2.184 18389 2823 1 4 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.257 0.119 18389 2824 1 4 . 1 1 19 19 TRP CB C 19 27.400 27.400 32.056 -4.656 18389 2825 1 4 . 1 1 19 19 TRP H H 19 7.057 7.057 7.166 -0.109 18389 2826 1 4 . 1 1 20 20 GLY N N 20 112.934 112.934 109.634 3.300 18389 2827 1 4 . 1 1 20 20 GLY C C 20 171.436 171.436 173.431 -1.995 18389 2828 1 4 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.722 -4.782 18389 2829 1 4 . 1 1 20 20 GLY H H 20 9.622 9.622 8.989 0.633 18389 2830 1 4 . 1 1 21 21 SER N N 21 114.752 114.752 115.896 -1.144 18389 2831 1 4 . 1 1 21 21 SER HA H 21 5.686 5.686 5.100 0.586 18389 2832 1 4 . 1 1 21 21 SER C C 21 170.314 170.314 173.445 -3.131 18389 2833 1 4 . 1 1 21 21 SER CA C 21 55.911 55.911 57.683 -1.772 18389 2834 1 4 . 1 1 21 21 SER CB C 21 64.070 64.070 66.121 -2.051 18389 2835 1 4 . 1 1 21 21 SER H H 21 8.899 8.899 8.458 0.441 18389 2836 1 4 . 1 1 22 22 TYR N N 22 118.001 118.001 121.330 -3.329 18389 2837 1 4 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.990 0.310 18389 2838 1 4 . 1 1 22 22 TYR C C 22 170.760 170.760 172.955 -2.195 18389 2839 1 4 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.250 -3.600 18389 2840 1 4 . 1 1 22 22 TYR CB C 22 37.824 37.824 39.144 -1.320 18389 2841 1 4 . 1 1 22 22 TYR H H 22 8.807 8.807 7.906 0.901 18389 2842 1 4 . 1 1 23 23 SER N N 23 109.826 109.826 114.997 -5.171 18389 2843 1 4 . 1 1 23 23 SER HA H 23 4.912 4.912 4.711 0.201 18389 2844 1 4 . 1 1 23 23 SER C C 23 169.918 169.918 172.804 -2.886 18389 2845 1 4 . 1 1 23 23 SER CA C 23 55.664 55.664 57.190 -1.526 18389 2846 1 4 . 1 1 23 23 SER CB C 23 62.361 62.361 65.659 -3.298 18389 2847 1 4 . 1 1 23 23 SER H H 23 8.435 8.435 8.234 0.201 18389 2848 1 4 . 1 1 24 24 GLY N N 24 103.788 103.788 105.843 -2.055 18389 2849 1 4 . 1 1 24 24 GLY C C 24 170.240 170.240 172.687 -2.447 18389 2850 1 4 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.267 -2.500 18389 2851 1 4 . 1 1 24 24 GLY H H 24 7.339 7.339 8.166 -0.827 18389 2852 1 4 . 1 1 25 25 GLU N N 25 116.420 116.420 119.375 -2.955 18389 2853 1 4 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.909 0.200 18389 2854 1 4 . 1 1 25 25 GLU C C 25 173.683 173.683 176.631 -2.948 18389 2855 1 4 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.258 -3.571 18389 2856 1 4 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.587 -3.441 18389 2857 1 4 . 1 1 25 25 GLU H H 25 8.962 8.962 8.951 0.011 18389 2858 1 4 . 1 1 26 26 GLY N N 26 106.660 106.660 102.174 4.486 18389 2859 1 4 . 1 1 26 26 GLY C C 26 171.638 171.638 173.624 -1.986 18389 2860 1 4 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.737 -1.564 18389 2861 1 4 . 1 1 26 26 GLY H H 26 8.483 8.483 8.620 -0.137 18389 2862 1 4 . 1 1 27 27 ALA N N 27 123.407 123.407 122.064 1.343 18389 2863 1 4 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.353 0.294 18389 2864 1 4 . 1 1 27 27 ALA C C 27 174.232 174.232 175.832 -1.600 18389 2865 1 4 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.395 -1.831 18389 2866 1 4 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.999 -3.461 18389 2867 1 4 . 1 1 27 27 ALA H H 27 7.182 7.182 7.328 -0.146 18389 2868 1 4 . 1 1 28 28 LYS N N 28 117.590 117.590 118.096 -0.506 18389 2869 1 4 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.651 0.241 18389 2870 1 4 . 1 1 28 28 LYS C C 28 171.365 171.365 174.143 -2.778 18389 2871 1 4 . 1 1 28 28 LYS CA C 28 52.419 52.419 56.533 -4.114 18389 2872 1 4 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.537 -1.993 18389 2873 1 4 . 1 1 28 28 LYS H H 28 8.650 8.650 8.827 -0.177 18389 2874 1 4 . 1 1 29 29 VAL N N 29 118.148 118.148 120.157 -2.009 18389 2875 1 4 . 1 1 29 29 VAL HA H 29 5.241 5.241 5.165 0.076 18389 2876 1 4 . 1 1 29 29 VAL C C 29 169.809 169.809 174.803 -4.994 18389 2877 1 4 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.063 -2.980 18389 2878 1 4 . 1 1 29 29 VAL CB C 29 31.475 31.475 34.610 -3.135 18389 2879 1 4 . 1 1 29 29 VAL H H 29 8.327 8.327 8.338 -0.011 18389 2880 1 4 . 1 1 30 30 SER N N 30 120.964 120.964 120.907 0.057 18389 2881 1 4 . 1 1 30 30 SER HA H 30 4.993 4.993 4.794 0.199 18389 2882 1 4 . 1 1 30 30 SER C C 30 170.354 170.354 173.334 -2.980 18389 2883 1 4 . 1 1 30 30 SER CA C 30 54.438 54.438 57.623 -3.185 18389 2884 1 4 . 1 1 30 30 SER CB C 30 63.262 63.262 64.838 -1.576 18389 2885 1 4 . 1 1 30 30 SER H H 30 8.797 8.797 9.081 -0.284 18389 2886 1 4 . 1 1 31 31 THR N N 31 112.970 112.970 118.275 -5.305 18389 2887 1 4 . 1 1 31 31 THR HA H 31 5.618 5.618 5.362 0.256 18389 2888 1 4 . 1 1 31 31 THR C C 31 171.857 171.857 174.300 -2.443 18389 2889 1 4 . 1 1 31 31 THR CA C 31 56.212 56.212 60.144 -3.932 18389 2890 1 4 . 1 1 31 31 THR CB C 31 69.719 69.719 70.805 -1.086 18389 2891 1 4 . 1 1 31 31 THR H H 31 8.384 8.384 8.252 0.132 18389 2892 1 4 . 1 1 32 32 LYS N N 32 119.710 119.710 124.058 -4.348 18389 2893 1 4 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.724 0.002 18389 2894 1 4 . 1 1 32 32 LYS C C 32 171.734 171.734 175.255 -3.521 18389 2895 1 4 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.754 -1.781 18389 2896 1 4 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.497 -2.403 18389 2897 1 4 . 1 1 32 32 LYS H H 32 8.530 8.530 8.911 -0.381 18389 2898 1 4 . 1 1 33 33 ILE N N 33 124.276 124.276 123.646 0.630 18389 2899 1 4 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.589 0.385 18389 2900 1 4 . 1 1 33 33 ILE C C 33 173.578 173.578 176.237 -2.659 18389 2901 1 4 . 1 1 33 33 ILE CA C 33 57.439 57.439 61.747 -4.308 18389 2902 1 4 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.184 -4.721 18389 2903 1 4 . 1 1 33 33 ILE H H 33 8.669 8.669 8.468 0.201 18389 2904 1 4 . 1 1 34 34 VAL N N 34 121.698 121.698 123.208 -1.510 18389 2905 1 4 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.725 0.142 18389 2906 1 4 . 1 1 34 34 VAL C C 34 172.702 172.702 174.903 -2.201 18389 2907 1 4 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.145 -2.486 18389 2908 1 4 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.416 -0.507 18389 2909 1 4 . 1 1 34 34 VAL H H 34 8.463 8.463 8.517 -0.054 18389 2910 1 4 . 1 1 35 35 SER N N 35 115.704 115.704 116.312 -0.608 18389 2911 1 4 . 1 1 35 35 SER HA H 35 4.590 4.590 4.559 0.031 18389 2912 1 4 . 1 1 35 35 SER CA C 35 58.345 58.345 59.992 -1.647 18389 2913 1 4 . 1 1 35 35 SER CB C 35 60.619 60.619 63.619 -3.000 18389 2914 1 4 . 1 1 35 35 SER H H 35 8.271 8.271 8.547 -0.276 18389 2915 1 4 . 1 1 36 36 GLY N N 36 113.970 113.970 111.566 2.404 18389 2916 1 4 . 1 1 36 36 GLY C C 36 170.257 170.257 173.117 -2.860 18389 2917 1 4 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.314 -3.616 18389 2918 1 4 . 1 1 36 36 GLY H H 36 9.267 9.267 8.495 0.772 18389 2919 1 4 . 1 1 37 37 LYS N N 37 129.227 129.227 118.055 11.172 18389 2920 1 4 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.899 -0.544 18389 2921 1 4 . 1 1 37 37 LYS C C 37 174.912 174.912 176.773 -1.861 18389 2922 1 4 . 1 1 37 37 LYS CA C 37 55.555 55.555 55.802 -0.247 18389 2923 1 4 . 1 1 37 37 LYS CB C 37 29.409 29.409 33.570 -4.161 18389 2924 1 4 . 1 1 37 37 LYS H H 37 8.484 8.484 8.190 0.294 18389 2925 1 4 . 1 1 38 38 THR N N 38 109.924 109.924 111.014 -1.090 18389 2926 1 4 . 1 1 38 38 THR HA H 38 4.398 4.398 4.501 -0.103 18389 2927 1 4 . 1 1 38 38 THR C C 38 171.818 171.818 174.281 -2.463 18389 2928 1 4 . 1 1 38 38 THR CA C 38 57.223 57.223 60.864 -3.641 18389 2929 1 4 . 1 1 38 38 THR CB C 38 67.805 67.805 71.384 -3.579 18389 2930 1 4 . 1 1 38 38 THR H H 38 7.549 7.549 8.296 -0.747 18389 2931 1 4 . 1 1 40 40 ASN N N 40 129.674 129.674 123.294 6.380 18389 2932 1 4 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.981 0.542 18389 2933 1 4 . 1 1 40 40 ASN C C 40 173.717 173.717 175.788 -2.071 18389 2934 1 4 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.600 -2.278 18389 2935 1 4 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.507 -2.319 18389 2936 1 4 . 1 1 40 40 ASN H H 40 10.958 10.958 8.786 2.172 18389 2937 1 4 . 1 1 41 41 GLY N N 41 111.261 111.261 107.127 4.134 18389 2938 1 4 . 1 1 41 41 GLY C C 41 166.652 166.652 172.410 -5.758 18389 2939 1 4 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.716 -2.005 18389 2940 1 4 . 1 1 41 41 GLY H H 41 9.674 9.674 8.942 0.732 18389 2941 1 4 . 1 1 42 42 MET N N 42 119.165 119.165 119.841 -0.676 18389 2942 1 4 . 1 1 42 42 MET HA H 42 4.849 4.849 5.006 -0.157 18389 2943 1 4 . 1 1 42 42 MET C C 42 171.154 171.154 173.828 -2.674 18389 2944 1 4 . 1 1 42 42 MET CA C 42 51.503 51.503 53.264 -1.761 18389 2945 1 4 . 1 1 42 42 MET CB C 42 33.293 33.293 36.071 -2.778 18389 2946 1 4 . 1 1 42 42 MET H H 42 7.550 7.550 8.891 -1.341 18389 2947 1 4 . 1 1 43 43 GLU N N 43 128.221 128.221 127.422 0.799 18389 2948 1 4 . 1 1 43 43 GLU HA H 43 4.866 4.866 4.779 0.087 18389 2949 1 4 . 1 1 43 43 GLU C C 43 172.612 172.612 174.501 -1.889 18389 2950 1 4 . 1 1 43 43 GLU CA C 43 51.679 51.679 55.313 -3.634 18389 2951 1 4 . 1 1 43 43 GLU CB C 43 30.396 30.396 32.483 -2.087 18389 2952 1 4 . 1 1 43 43 GLU H H 43 9.355 9.355 9.182 0.173 18389 2953 1 4 . 1 1 44 44 VAL N N 44 131.011 131.011 126.896 4.115 18389 2954 1 4 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.337 0.025 18389 2955 1 4 . 1 1 44 44 VAL C C 44 171.752 171.752 173.725 -1.973 18389 2956 1 4 . 1 1 44 44 VAL CA C 44 58.335 58.335 60.415 -2.080 18389 2957 1 4 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.015 -5.065 18389 2958 1 4 . 1 1 44 44 VAL H H 44 9.002 9.002 8.734 0.268 18389 2959 1 4 . 1 1 45 45 SER N N 45 120.764 120.764 125.931 -5.167 18389 2960 1 4 . 1 1 45 45 SER HA H 45 4.975 4.975 5.149 -0.174 18389 2961 1 4 . 1 1 45 45 SER C C 45 170.500 170.500 173.125 -2.625 18389 2962 1 4 . 1 1 45 45 SER CA C 45 53.547 53.547 57.806 -4.259 18389 2963 1 4 . 1 1 45 45 SER CB C 45 61.650 61.650 64.299 -2.649 18389 2964 1 4 . 1 1 45 45 SER H H 45 8.511 8.511 8.818 -0.307 18389 2965 1 4 . 1 1 46 46 TYR N N 46 123.478 123.478 123.154 0.324 18389 2966 1 4 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.344 -0.069 18389 2967 1 4 . 1 1 46 46 TYR C C 46 171.644 171.644 173.407 -1.763 18389 2968 1 4 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.774 -3.539 18389 2969 1 4 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.674 -4.209 18389 2970 1 4 . 1 1 46 46 TYR H H 46 8.511 8.511 9.277 -0.766 18389 2971 1 4 . 1 1 47 47 THR N N 47 118.641 118.641 119.593 -0.952 18389 2972 1 4 . 1 1 47 47 THR HA H 47 4.793 4.793 4.213 0.580 18389 2973 1 4 . 1 1 47 47 THR C C 47 171.614 171.614 173.920 -2.306 18389 2974 1 4 . 1 1 47 47 THR CA C 47 58.267 58.267 61.833 -3.566 18389 2975 1 4 . 1 1 47 47 THR CB C 47 68.820 68.820 69.317 -0.497 18389 2976 1 4 . 1 1 47 47 THR H H 47 8.935 8.935 8.541 0.394 18389 2977 1 4 . 1 1 48 48 GLY N N 48 112.467 112.467 112.428 0.039 18389 2978 1 4 . 1 1 48 48 GLY C C 48 170.521 170.521 171.897 -1.376 18389 2979 1 4 . 1 1 48 48 GLY CA C 48 42.076 42.076 42.704 -0.628 18389 2980 1 4 . 1 1 48 48 GLY H H 48 7.723 7.723 7.181 0.542 18389 2981 1 4 . 1 1 49 49 THR N N 49 106.823 106.823 108.358 -1.535 18389 2982 1 4 . 1 1 49 49 THR HA H 49 4.913 4.913 4.530 0.383 18389 2983 1 4 . 1 1 49 49 THR C C 49 172.529 172.529 175.286 -2.757 18389 2984 1 4 . 1 1 49 49 THR CA C 49 57.385 57.385 59.997 -2.612 18389 2985 1 4 . 1 1 49 49 THR CB C 49 69.609 69.609 72.151 -2.542 18389 2986 1 4 . 1 1 49 49 THR H H 49 8.019 8.019 7.047 0.972 18389 2987 1 4 . 1 1 51 51 ASP N N 51 118.095 118.095 118.070 0.025 18389 2988 1 4 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.959 0.045 18389 2989 1 4 . 1 1 51 51 ASP C C 51 172.913 172.913 176.032 -3.119 18389 2990 1 4 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.200 -1.955 18389 2991 1 4 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.805 -3.035 18389 2992 1 4 . 1 1 51 51 ASP H H 51 8.613 8.613 8.354 0.259 18389 2993 1 4 . 1 1 52 52 GLY N N 52 107.075 107.075 108.368 -1.293 18389 2994 1 4 . 1 1 52 52 GLY C C 52 169.748 169.748 172.838 -3.090 18389 2995 1 4 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.869 -1.963 18389 2996 1 4 . 1 1 52 52 GLY H H 52 7.651 7.651 7.881 -0.230 18389 2997 1 4 . 1 1 53 53 TYR N N 53 112.556 112.556 115.192 -2.636 18389 2998 1 4 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.393 -0.772 18389 2999 1 4 . 1 1 53 53 TYR C C 53 169.219 169.219 173.026 -3.807 18389 3000 1 4 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.267 -4.161 18389 3001 1 4 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.420 -1.390 18389 3002 1 4 . 1 1 53 53 TYR H H 53 6.918 6.918 8.446 -1.528 18389 3003 1 4 . 1 1 54 54 TRP N N 54 112.748 112.748 118.854 -6.106 18389 3004 1 4 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.529 -0.150 18389 3005 1 4 . 1 1 54 54 TRP C C 54 171.085 171.085 174.842 -3.757 18389 3006 1 4 . 1 1 54 54 TRP CA C 54 52.260 52.260 54.787 -2.527 18389 3007 1 4 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.260 -2.285 18389 3008 1 4 . 1 1 54 54 TRP H H 54 6.406 6.406 7.611 -1.205 18389 3009 1 4 . 1 1 55 55 GLY N N 55 108.552 108.552 105.982 2.570 18389 3010 1 4 . 1 1 55 55 GLY C C 55 168.023 168.023 172.388 -4.365 18389 3011 1 4 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.087 -1.639 18389 3012 1 4 . 1 1 55 55 GLY H H 55 8.689 8.689 7.866 0.823 18389 3013 1 4 . 1 1 56 56 THR N N 56 113.376 113.376 119.483 -6.107 18389 3014 1 4 . 1 1 56 56 THR HA H 56 5.868 5.868 4.756 1.112 18389 3015 1 4 . 1 1 56 56 THR C C 56 170.376 170.376 173.058 -2.682 18389 3016 1 4 . 1 1 56 56 THR CA C 56 57.238 57.238 62.098 -4.860 18389 3017 1 4 . 1 1 56 56 THR CB C 56 69.053 69.053 72.629 -3.576 18389 3018 1 4 . 1 1 56 56 THR H H 56 9.518 9.518 8.044 1.474 18389 3019 1 4 . 1 1 57 57 VAL N N 57 123.361 123.361 124.529 -1.168 18389 3020 1 4 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.359 1.094 18389 3021 1 4 . 1 1 57 57 VAL C C 57 169.082 169.082 173.943 -4.861 18389 3022 1 4 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.242 -5.193 18389 3023 1 4 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.616 -2.269 18389 3024 1 4 . 1 1 57 57 VAL H H 57 8.956 8.956 8.230 0.726 18389 3025 1 4 . 1 1 58 58 TYR N N 58 131.224 131.224 126.643 4.581 18389 3026 1 4 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.269 -0.693 18389 3027 1 4 . 1 1 58 58 TYR C C 58 172.050 172.050 173.402 -1.352 18389 3028 1 4 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.566 -4.984 18389 3029 1 4 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.786 -6.825 18389 3030 1 4 . 1 1 58 58 TYR H H 58 8.641 8.641 8.516 0.125 18389 3031 1 4 . 1 1 59 59 SER N N 59 123.126 123.126 123.686 -0.560 18389 3032 1 4 . 1 1 59 59 SER HA H 59 4.304 4.304 4.747 -0.443 18389 3033 1 4 . 1 1 59 59 SER C C 59 170.891 170.891 174.035 -3.144 18389 3034 1 4 . 1 1 59 59 SER CA C 59 55.452 55.452 56.855 -1.403 18389 3035 1 4 . 1 1 59 59 SER CB C 59 60.048 60.048 63.779 -3.732 18389 3036 1 4 . 1 1 59 59 SER H H 59 8.217 8.217 8.891 -0.674 18389 3037 1 4 . 1 1 60 60 LEU N N 60 126.809 126.809 130.009 -3.200 18389 3038 1 4 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.821 -0.568 18389 3039 1 4 . 1 1 60 60 LEU C C 60 173.994 173.994 176.044 -2.050 18389 3040 1 4 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.007 -2.957 18389 3041 1 4 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.322 -2.965 18389 3042 1 4 . 1 1 60 60 LEU H H 60 7.838 7.838 8.028 -0.190 18389 3043 1 4 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.349 0.224 18389 3044 1 4 . 1 1 61 61 PRO C C 61 173.514 173.514 175.811 -2.297 18389 3045 1 4 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.562 -3.310 18389 3046 1 4 . 1 1 61 61 PRO CB C 61 29.315 29.315 31.930 -2.615 18389 3047 1 4 . 1 1 62 62 ASP N N 62 115.943 115.943 114.919 1.024 18389 3048 1 4 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.676 0.163 18389 3049 1 4 . 1 1 62 62 ASP C C 62 172.949 172.949 174.912 -1.963 18389 3050 1 4 . 1 1 62 62 ASP CA C 62 50.706 50.706 52.827 -2.121 18389 3051 1 4 . 1 1 62 62 ASP CB C 62 40.031 40.031 41.831 -1.800 18389 3052 1 4 . 1 1 62 62 ASP H H 62 7.018 7.018 8.081 -1.063 18389 3053 1 4 . 1 1 63 63 GLY N N 63 112.680 112.680 106.693 5.987 18389 3054 1 4 . 1 1 63 63 GLY C C 63 170.273 170.273 173.111 -2.838 18389 3055 1 4 . 1 1 63 63 GLY CA C 63 43.001 43.001 45.334 -2.333 18389 3056 1 4 . 1 1 63 63 GLY H H 63 8.417 8.417 8.407 0.010 18389 3057 1 4 . 1 1 64 64 ASP N N 64 115.221 115.221 123.927 -8.706 18389 3058 1 4 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.778 0.515 18389 3059 1 4 . 1 1 64 64 ASP C C 64 174.354 174.354 176.290 -1.936 18389 3060 1 4 . 1 1 64 64 ASP CA C 64 50.267 50.267 53.711 -3.444 18389 3061 1 4 . 1 1 64 64 ASP CB C 64 37.340 37.340 40.640 -3.300 18389 3062 1 4 . 1 1 64 64 ASP H H 64 7.766 7.766 8.308 -0.542 18389 3063 1 4 . 1 1 65 65 TRP N N 65 130.747 130.747 120.267 10.480 18389 3064 1 4 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.768 0.663 18389 3065 1 4 . 1 1 65 65 TRP C C 65 173.930 173.930 177.207 -3.277 18389 3066 1 4 . 1 1 65 65 TRP CA C 65 52.044 52.044 57.010 -4.966 18389 3067 1 4 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.338 -2.731 18389 3068 1 4 . 1 1 65 65 TRP H H 65 9.687 9.687 7.774 1.913 18389 3069 1 4 . 1 1 66 66 SER N N 66 114.151 114.151 114.022 0.129 18389 3070 1 4 . 1 1 66 66 SER HA H 66 4.041 4.041 4.331 -0.290 18389 3071 1 4 . 1 1 66 66 SER CA C 66 59.812 59.812 59.804 0.008 18389 3072 1 4 . 1 1 66 66 SER CB C 66 60.892 60.892 62.498 -1.606 18389 3073 1 4 . 1 1 66 66 SER H H 66 8.568 8.568 8.423 0.145 18389 3074 1 4 . 1 1 70 70 LYS N N 70 117.090 117.090 116.168 0.922 18389 3075 1 4 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.619 -0.221 18389 3076 1 4 . 1 1 70 70 LYS C C 70 170.030 170.030 174.478 -4.448 18389 3077 1 4 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.746 -3.887 18389 3078 1 4 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.807 -1.851 18389 3079 1 4 . 1 1 70 70 LYS H H 70 8.308 8.308 7.601 0.707 18389 3080 1 4 . 1 1 71 71 ILE N N 71 118.764 118.764 120.884 -2.120 18389 3081 1 4 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.774 0.440 18389 3082 1 4 . 1 1 71 71 ILE C C 71 169.396 169.396 174.495 -5.099 18389 3083 1 4 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.856 -4.524 18389 3084 1 4 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.763 -1.117 18389 3085 1 4 . 1 1 71 71 ILE H H 71 7.816 7.816 8.634 -0.818 18389 3086 1 4 . 1 1 72 72 SER N N 72 120.952 120.952 118.061 2.891 18389 3087 1 4 . 1 1 72 72 SER HA H 72 5.852 5.852 5.613 0.239 18389 3088 1 4 . 1 1 72 72 SER C C 72 170.208 170.208 173.564 -3.356 18389 3089 1 4 . 1 1 72 72 SER CA C 72 52.457 52.457 56.696 -4.239 18389 3090 1 4 . 1 1 72 72 SER CB C 72 64.125 64.125 66.506 -2.381 18389 3091 1 4 . 1 1 72 72 SER H H 72 9.237 9.237 8.805 0.432 18389 3092 1 4 . 1 1 73 73 PHE N N 73 117.161 117.161 117.504 -0.343 18389 3093 1 4 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.685 -0.314 18389 3094 1 4 . 1 1 73 73 PHE C C 73 170.381 170.381 173.693 -3.312 18389 3095 1 4 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.491 -1.694 18389 3096 1 4 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.943 -3.370 18389 3097 1 4 . 1 1 73 73 PHE H H 73 8.093 8.093 8.416 -0.323 18389 3098 1 4 . 1 1 74 74 ASP N N 74 120.210 120.210 119.936 0.274 18389 3099 1 4 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.771 0.383 18389 3100 1 4 . 1 1 74 74 ASP C C 74 173.653 173.653 175.278 -1.625 18389 3101 1 4 . 1 1 74 74 ASP CA C 74 50.896 50.896 54.110 -3.214 18389 3102 1 4 . 1 1 74 74 ASP CB C 74 41.487 41.487 45.047 -3.561 18389 3103 1 4 . 1 1 74 74 ASP H H 74 8.993 8.993 9.041 -0.048 18389 3104 1 4 . 1 1 75 75 ILE N N 75 121.051 121.051 121.644 -0.593 18389 3105 1 4 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.293 0.960 18389 3106 1 4 . 1 1 75 75 ILE C C 75 171.229 171.229 173.021 -1.792 18389 3107 1 4 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.750 -2.229 18389 3108 1 4 . 1 1 75 75 ILE CB C 75 41.521 41.521 42.706 -1.185 18389 3109 1 4 . 1 1 75 75 ILE H H 75 9.681 9.681 9.183 0.498 18389 3110 1 4 . 1 1 76 76 LYS N N 76 124.693 124.693 125.784 -1.091 18389 3111 1 4 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.996 -0.165 18389 3112 1 4 . 1 1 76 76 LYS C C 76 172.283 172.283 174.131 -1.848 18389 3113 1 4 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.046 -0.644 18389 3114 1 4 . 1 1 76 76 LYS CB C 76 32.722 32.722 36.301 -3.579 18389 3115 1 4 . 1 1 76 76 LYS H H 76 8.454 8.454 8.888 -0.434 18389 3116 1 4 . 1 1 77 77 SER N N 77 118.916 118.916 115.396 3.520 18389 3117 1 4 . 1 1 77 77 SER HA H 77 4.816 4.816 4.483 0.333 18389 3118 1 4 . 1 1 77 77 SER C C 77 172.741 172.741 174.289 -1.548 18389 3119 1 4 . 1 1 77 77 SER CA C 77 55.341 55.341 58.223 -2.882 18389 3120 1 4 . 1 1 77 77 SER CB C 77 61.792 61.792 64.003 -2.211 18389 3121 1 4 . 1 1 77 77 SER H H 77 9.236 9.236 8.764 0.472 18389 3122 1 4 . 1 1 78 78 VAL N N 78 120.723 120.723 125.457 -4.734 18389 3123 1 4 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.295 0.039 18389 3124 1 4 . 1 1 78 78 VAL C C 78 172.941 172.941 175.387 -2.446 18389 3125 1 4 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.024 -1.229 18389 3126 1 4 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.330 -2.062 18389 3127 1 4 . 1 1 78 78 VAL H H 78 8.132 8.132 8.384 -0.252 18389 3128 1 4 . 1 1 79 79 ASP N N 79 119.240 119.240 120.660 -1.420 18389 3129 1 4 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.748 -0.007 18389 3130 1 4 . 1 1 79 79 ASP C C 79 174.199 174.199 177.344 -3.145 18389 3131 1 4 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.054 -2.942 18389 3132 1 4 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.555 -3.482 18389 3133 1 4 . 1 1 79 79 ASP H H 79 8.190 8.190 7.914 0.276 18389 3134 1 4 . 1 1 80 80 GLY N N 80 108.323 108.323 108.705 -0.382 18389 3135 1 4 . 1 1 80 80 GLY C C 80 171.858 171.858 174.894 -3.036 18389 3136 1 4 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.557 -2.454 18389 3137 1 4 . 1 1 80 80 GLY H H 80 8.275 8.275 7.889 0.386 18389 3138 1 4 . 1 1 81 81 SER N N 81 116.291 116.291 115.197 1.094 18389 3139 1 4 . 1 1 81 81 SER HA H 81 4.588 4.588 4.421 0.167 18389 3140 1 4 . 1 1 81 81 SER C C 81 171.588 171.588 174.599 -3.011 18389 3141 1 4 . 1 1 81 81 SER CA C 81 55.552 55.552 57.998 -2.446 18389 3142 1 4 . 1 1 81 81 SER CB C 81 61.910 61.910 64.390 -2.480 18389 3143 1 4 . 1 1 81 81 SER H H 81 8.201 8.201 7.434 0.767 18389 3144 1 4 . 1 1 82 82 ALA N N 82 128.019 128.019 126.326 1.693 18389 3145 1 4 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.471 0.491 18389 3146 1 4 . 1 1 82 82 ALA C C 82 173.332 173.332 176.715 -3.383 18389 3147 1 4 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.431 -2.352 18389 3148 1 4 . 1 1 82 82 ALA CB C 82 16.570 16.570 17.820 -1.250 18389 3149 1 4 . 1 1 82 82 ALA H H 82 8.613 8.613 8.371 0.242 18389 3150 1 4 . 1 1 83 83 ASN N N 83 119.651 119.651 120.935 -1.284 18389 3151 1 4 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.862 0.200 18389 3152 1 4 . 1 1 83 83 ASN C C 83 170.848 170.848 173.284 -2.436 18389 3153 1 4 . 1 1 83 83 ASN CA C 83 50.760 50.760 51.740 -0.980 18389 3154 1 4 . 1 1 83 83 ASN CB C 83 38.789 38.789 40.771 -1.982 18389 3155 1 4 . 1 1 83 83 ASN H H 83 8.153 8.153 7.905 0.248 18389 3156 1 4 . 1 1 84 84 GLU N N 84 127.150 127.150 119.852 7.298 18389 3157 1 4 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.885 -0.173 18389 3158 1 4 . 1 1 84 84 GLU C C 84 171.647 171.647 174.837 -3.190 18389 3159 1 4 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.290 -0.518 18389 3160 1 4 . 1 1 84 84 GLU CB C 84 28.701 28.701 33.063 -4.362 18389 3161 1 4 . 1 1 84 84 GLU H H 84 8.122 8.122 8.562 -0.440 18389 3162 1 4 . 1 1 85 85 ILE N N 85 117.590 117.590 117.493 0.097 18389 3163 1 4 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.834 -0.201 18389 3164 1 4 . 1 1 85 85 ILE C C 85 171.902 171.902 173.793 -1.891 18389 3165 1 4 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.239 -1.208 18389 3166 1 4 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.449 -2.197 18389 3167 1 4 . 1 1 85 85 ILE H H 85 8.910 8.910 8.949 -0.039 18389 3168 1 4 . 1 1 86 86 ARG N N 86 116.697 116.697 118.175 -1.478 18389 3169 1 4 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.325 0.071 18389 3170 1 4 . 1 1 86 86 ARG C C 86 171.787 171.787 175.073 -3.286 18389 3171 1 4 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.460 -1.345 18389 3172 1 4 . 1 1 86 86 ARG CB C 86 32.062 32.062 34.733 -2.671 18389 3173 1 4 . 1 1 86 86 ARG H H 86 9.149 9.149 8.795 0.354 18389 3174 1 4 . 1 1 87 87 PHE N N 87 123.607 123.607 119.751 3.856 18389 3175 1 4 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.144 0.344 18389 3176 1 4 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.293 -2.476 18389 3177 1 4 . 1 1 87 87 PHE CB C 87 40.112 40.112 43.808 -3.696 18389 3178 1 4 . 1 1 87 87 PHE H H 87 9.235 9.235 9.295 -0.060 18389 3179 1 4 . 1 1 88 88 MET N N 88 129.893 129.893 120.803 9.090 18389 3180 1 4 . 1 1 88 88 MET HA H 88 5.836 5.836 5.494 0.342 18389 3181 1 4 . 1 1 88 88 MET C C 88 170.768 170.768 173.754 -2.986 18389 3182 1 4 . 1 1 88 88 MET CA C 88 51.118 51.118 54.728 -3.610 18389 3183 1 4 . 1 1 88 88 MET CB C 88 37.224 37.224 37.207 0.017 18389 3184 1 4 . 1 1 88 88 MET H H 88 8.868 8.868 8.205 0.663 18389 3185 1 4 . 1 1 89 89 ILE N N 89 124.630 124.630 123.823 0.807 18389 3186 1 4 . 1 1 89 89 ILE HA H 89 4.538 4.538 4.929 -0.391 18389 3187 1 4 . 1 1 89 89 ILE C C 89 171.047 171.047 173.027 -1.980 18389 3188 1 4 . 1 1 89 89 ILE CA C 89 57.971 57.971 58.800 -0.828 18389 3189 1 4 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.886 -3.966 18389 3190 1 4 . 1 1 89 89 ILE H H 89 9.258 9.258 8.986 0.272 18389 3191 1 4 . 1 1 90 90 ALA N N 90 128.743 128.743 128.888 -0.145 18389 3192 1 4 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.089 0.577 18389 3193 1 4 . 1 1 90 90 ALA C C 90 176.041 176.041 176.377 -0.336 18389 3194 1 4 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.590 -2.769 18389 3195 1 4 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.298 -2.967 18389 3196 1 4 . 1 1 90 90 ALA H H 90 8.749 8.749 8.906 -0.157 18389 3197 1 4 . 1 1 91 91 GLU N N 91 121.616 121.616 123.804 -2.188 18389 3198 1 4 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.874 -0.156 18389 3199 1 4 . 1 1 91 91 GLU C C 91 174.217 174.217 177.391 -3.174 18389 3200 1 4 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.302 -2.159 18389 3201 1 4 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.669 -1.822 18389 3202 1 4 . 1 1 91 91 GLU H H 91 8.749 8.749 8.553 0.196 18389 3203 1 4 . 1 1 92 92 LYS N N 92 117.975 117.975 120.738 -2.763 18389 3204 1 4 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.452 -0.083 18389 3205 1 4 . 1 1 92 92 LYS C C 92 174.743 174.743 176.343 -1.600 18389 3206 1 4 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.339 -1.979 18389 3207 1 4 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.441 -2.785 18389 3208 1 4 . 1 1 92 92 LYS H H 92 8.014 8.014 8.300 -0.286 18389 3209 1 4 . 1 1 93 93 SER N N 93 115.092 115.092 116.701 -1.609 18389 3210 1 4 . 1 1 93 93 SER HA H 93 4.215 4.215 4.430 -0.215 18389 3211 1 4 . 1 1 93 93 SER C C 93 174.964 174.964 176.269 -1.305 18389 3212 1 4 . 1 1 93 93 SER CA C 93 53.874 53.874 58.510 -4.636 18389 3213 1 4 . 1 1 93 93 SER CB C 93 61.736 61.736 63.915 -2.179 18389 3214 1 4 . 1 1 93 93 SER H H 93 8.083 8.083 8.660 -0.577 18389 3215 1 4 . 1 1 94 94 ILE N N 94 121.880 121.880 121.819 0.061 18389 3216 1 4 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.025 0.361 18389 3217 1 4 . 1 1 94 94 ILE C C 94 174.020 174.020 176.602 -2.582 18389 3218 1 4 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.843 -2.498 18389 3219 1 4 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.063 -2.062 18389 3220 1 4 . 1 1 94 94 ILE H H 94 9.150 9.150 8.929 0.221 18389 3221 1 4 . 1 1 95 95 ASN N N 95 117.349 117.349 118.368 -1.019 18389 3222 1 4 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.856 0.199 18389 3223 1 4 . 1 1 95 95 ASN C C 95 173.659 173.659 175.689 -2.030 18389 3224 1 4 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.865 -3.478 18389 3225 1 4 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.003 -2.337 18389 3226 1 4 . 1 1 95 95 ASN H H 95 8.163 8.163 8.073 0.090 18389 3227 1 4 . 1 1 96 96 GLY N N 96 106.957 106.957 107.580 -0.623 18389 3228 1 4 . 1 1 96 96 GLY C C 96 170.704 170.704 173.904 -3.200 18389 3229 1 4 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.792 -2.474 18389 3230 1 4 . 1 1 96 96 GLY H H 96 7.530 7.530 7.783 -0.253 18389 3231 1 4 . 1 1 97 97 VAL N N 97 119.393 119.393 120.733 -1.340 18389 3232 1 4 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.411 -0.057 18389 3233 1 4 . 1 1 97 97 VAL C C 97 173.622 173.622 176.237 -2.615 18389 3234 1 4 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.702 -2.559 18389 3235 1 4 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.839 -3.068 18389 3236 1 4 . 1 1 97 97 VAL H H 97 7.650 7.650 7.488 0.162 18389 3237 1 4 . 1 1 98 98 GLY N N 98 115.075 115.075 115.605 -0.530 18389 3238 1 4 . 1 1 98 98 GLY C C 98 170.065 170.065 173.317 -3.252 18389 3239 1 4 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.194 -2.454 18389 3240 1 4 . 1 1 98 98 GLY H H 98 8.712 8.712 8.546 0.166 18389 3241 1 4 . 1 1 99 99 ASP N N 99 119.064 119.064 122.871 -3.807 18389 3242 1 4 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.955 -0.280 18389 3243 1 4 . 1 1 99 99 ASP C C 99 172.502 172.502 175.610 -3.108 18389 3244 1 4 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.523 -2.942 18389 3245 1 4 . 1 1 99 99 ASP CB C 99 39.195 39.195 44.584 -5.389 18389 3246 1 4 . 1 1 99 99 ASP H H 99 8.746 8.746 8.185 0.561 18389 3247 1 4 . 1 1 100 100 GLY N N 100 109.333 109.333 107.662 1.671 18389 3248 1 4 . 1 1 100 100 GLY C C 100 167.638 167.638 173.587 -5.949 18389 3249 1 4 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.488 -4.379 18389 3250 1 4 . 1 1 100 100 GLY H H 100 8.285 8.285 8.545 -0.260 18389 3251 1 4 . 1 1 101 101 GLU N N 101 120.835 120.835 119.887 0.948 18389 3252 1 4 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.262 0.465 18389 3253 1 4 . 1 1 101 101 GLU C C 101 173.652 173.652 176.167 -2.515 18389 3254 1 4 . 1 1 101 101 GLU CA C 101 55.449 55.449 56.893 -1.444 18389 3255 1 4 . 1 1 101 101 GLU CB C 101 31.014 31.014 30.648 0.366 18389 3256 1 4 . 1 1 101 101 GLU H H 101 8.339 8.339 8.068 0.271 18389 3257 1 4 . 1 1 102 102 HIS N N 102 126.597 126.597 120.418 6.179 18389 3258 1 4 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.108 0.298 18389 3259 1 4 . 1 1 102 102 HIS C C 102 174.479 174.479 174.471 0.008 18389 3260 1 4 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.372 -1.460 18389 3261 1 4 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.878 1.878 18389 3262 1 4 . 1 1 102 102 HIS H H 102 10.029 10.029 8.669 1.360 18389 3263 1 4 . 1 1 103 103 TRP N N 103 125.616 125.616 123.235 2.381 18389 3264 1 4 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.434 -0.403 18389 3265 1 4 . 1 1 103 103 TRP C C 103 173.236 173.236 175.107 -1.871 18389 3266 1 4 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.056 -1.223 18389 3267 1 4 . 1 1 103 103 TRP CB C 103 29.190 29.190 31.659 -2.469 18389 3268 1 4 . 1 1 103 103 TRP H H 103 9.242 9.242 9.043 0.199 18389 3269 1 4 . 1 1 104 104 VAL N N 104 114.086 114.086 118.316 -4.230 18389 3270 1 4 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.605 0.528 18389 3271 1 4 . 1 1 104 104 VAL C C 104 173.194 173.194 173.478 -0.284 18389 3272 1 4 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.720 -2.391 18389 3273 1 4 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.963 -0.520 18389 3274 1 4 . 1 1 104 104 VAL H H 104 10.273 10.273 9.509 0.764 18389 3275 1 4 . 1 1 105 105 TYR N N 105 123.278 123.278 124.580 -1.302 18389 3276 1 4 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.904 -0.244 18389 3277 1 4 . 1 1 105 105 TYR C C 105 172.030 172.030 173.441 -1.411 18389 3278 1 4 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.128 -0.406 18389 3279 1 4 . 1 1 105 105 TYR CB C 105 40.973 40.973 42.028 -1.055 18389 3280 1 4 . 1 1 105 105 TYR H H 105 9.219 9.219 8.977 0.242 18389 3281 1 4 . 1 1 106 106 SER N N 106 123.619 123.619 118.324 5.295 18389 3282 1 4 . 1 1 106 106 SER HA H 106 5.226 5.226 5.267 -0.041 18389 3283 1 4 . 1 1 106 106 SER C C 106 170.291 170.291 172.560 -2.269 18389 3284 1 4 . 1 1 106 106 SER CA C 106 56.800 56.800 56.609 0.191 18389 3285 1 4 . 1 1 106 106 SER CB C 106 61.265 61.265 65.017 -3.752 18389 3286 1 4 . 1 1 106 106 SER H H 106 7.768 7.768 7.442 0.326 18389 3287 1 4 . 1 1 107 107 ILE N N 107 120.192 120.192 118.671 1.521 18389 3288 1 4 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.495 0.264 18389 3289 1 4 . 1 1 107 107 ILE C C 107 171.471 171.471 173.285 -1.814 18389 3290 1 4 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.296 -2.285 18389 3291 1 4 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.364 -1.605 18389 3292 1 4 . 1 1 107 107 ILE H H 107 8.942 8.942 9.015 -0.073 18389 3293 1 4 . 1 1 108 108 THR N N 108 118.723 118.723 117.009 1.714 18389 3294 1 4 . 1 1 108 108 THR HA H 108 5.017 5.017 4.806 0.211 18389 3295 1 4 . 1 1 108 108 THR C C 108 170.359 170.359 172.276 -1.917 18389 3296 1 4 . 1 1 108 108 THR CA C 108 56.686 56.686 58.511 -1.825 18389 3297 1 4 . 1 1 108 108 THR CB C 108 67.488 67.488 70.211 -2.723 18389 3298 1 4 . 1 1 108 108 THR H H 108 8.718 8.718 8.276 0.442 18389 3299 1 4 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.660 -0.250 18389 3300 1 4 . 1 1 109 109 PRO C C 109 171.443 171.443 175.563 -4.120 18389 3301 1 4 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.520 -2.696 18389 3302 1 4 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.653 -3.675 18389 3303 1 4 . 1 1 110 110 ASP N N 110 122.785 122.785 117.194 5.591 18389 3304 1 4 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.921 0.227 18389 3305 1 4 . 1 1 110 110 ASP C C 110 174.113 174.113 177.118 -3.005 18389 3306 1 4 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.038 -2.982 18389 3307 1 4 . 1 1 110 110 ASP CB C 110 40.689 40.689 44.493 -3.804 18389 3308 1 4 . 1 1 110 110 ASP H H 110 9.061 9.061 8.644 0.417 18389 3309 1 4 . 1 1 111 111 SER N N 111 112.595 112.595 113.624 -1.029 18389 3310 1 4 . 1 1 111 111 SER HA H 111 4.432 4.432 4.447 -0.015 18389 3311 1 4 . 1 1 111 111 SER CA C 111 58.333 58.333 59.202 -0.869 18389 3312 1 4 . 1 1 111 111 SER CB C 111 61.046 61.046 63.203 -2.157 18389 3313 1 4 . 1 1 111 111 SER H H 111 8.435 8.435 8.670 -0.235 18389 3314 1 4 . 1 1 112 112 SER N N 112 116.615 116.615 114.472 2.143 18389 3315 1 4 . 1 1 112 112 SER HA H 112 4.862 4.862 4.506 0.356 18389 3316 1 4 . 1 1 112 112 SER C C 112 170.519 170.519 173.562 -3.043 18389 3317 1 4 . 1 1 112 112 SER CA C 112 54.017 54.017 56.407 -2.390 18389 3318 1 4 . 1 1 112 112 SER CB C 112 62.948 62.948 65.684 -2.736 18389 3319 1 4 . 1 1 112 112 SER H H 112 8.035 8.035 7.371 0.664 18389 3320 1 4 . 1 1 113 113 TRP N N 113 120.576 120.576 123.605 -3.029 18389 3321 1 4 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.544 0.010 18389 3322 1 4 . 1 1 113 113 TRP C C 113 174.599 174.599 176.750 -2.151 18389 3323 1 4 . 1 1 113 113 TRP CA C 113 56.882 56.882 58.178 -1.296 18389 3324 1 4 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.830 -2.470 18389 3325 1 4 . 1 1 113 113 TRP H H 113 8.318 8.318 8.596 -0.278 18389 3326 1 4 . 1 1 114 114 LYS N N 114 123.372 123.372 124.886 -1.514 18389 3327 1 4 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.744 0.150 18389 3328 1 4 . 1 1 114 114 LYS C C 114 172.772 172.772 175.566 -2.794 18389 3329 1 4 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.488 -1.540 18389 3330 1 4 . 1 1 114 114 LYS CB C 114 34.250 34.250 36.693 -2.443 18389 3331 1 4 . 1 1 114 114 LYS H H 114 8.782 8.782 8.684 0.098 18389 3332 1 4 . 1 1 115 115 THR N N 115 120.929 120.929 119.291 1.638 18389 3333 1 4 . 1 1 115 115 THR HA H 115 5.226 5.226 4.743 0.483 18389 3334 1 4 . 1 1 115 115 THR C C 115 171.778 171.778 174.497 -2.719 18389 3335 1 4 . 1 1 115 115 THR CA C 115 59.671 59.671 62.638 -2.967 18389 3336 1 4 . 1 1 115 115 THR CB C 115 66.938 66.938 69.260 -2.322 18389 3337 1 4 . 1 1 115 115 THR H H 115 8.689 8.689 8.472 0.217 18389 3338 1 4 . 1 1 116 116 ILE N N 116 131.929 131.929 129.356 2.573 18389 3339 1 4 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.103 0.081 18389 3340 1 4 . 1 1 116 116 ILE C C 116 171.012 171.012 174.856 -3.844 18389 3341 1 4 . 1 1 116 116 ILE CA C 116 56.357 56.357 58.380 -2.022 18389 3342 1 4 . 1 1 116 116 ILE CB C 116 34.331 34.331 35.652 -1.321 18389 3343 1 4 . 1 1 116 116 ILE H H 116 9.470 9.470 8.782 0.688 18389 3344 1 4 . 1 1 117 117 GLU N N 117 124.514 124.514 127.004 -2.490 18389 3345 1 4 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.740 0.130 18389 3346 1 4 . 1 1 117 117 GLU C C 117 173.332 173.332 175.691 -2.359 18389 3347 1 4 . 1 1 117 117 GLU CA C 117 51.798 51.798 55.517 -3.719 18389 3348 1 4 . 1 1 117 117 GLU CB C 117 29.693 29.693 30.450 -0.757 18389 3349 1 4 . 1 1 117 117 GLU H H 117 8.089 8.089 8.157 -0.068 18389 3350 1 4 . 1 1 118 118 ILE N N 118 125.005 125.005 123.314 1.691 18389 3351 1 4 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.442 -0.019 18389 3352 1 4 . 1 1 118 118 ILE C C 118 171.765 171.765 173.295 -1.530 18389 3353 1 4 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.175 -2.535 18389 3354 1 4 . 1 1 118 118 ILE CB C 118 37.429 37.429 40.589 -3.160 18389 3355 1 4 . 1 1 118 118 ILE H H 118 9.322 9.322 8.621 0.701 18389 3356 1 4 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.855 -0.018 18389 3357 1 4 . 1 1 119 119 PRO C C 119 176.780 176.780 177.919 -1.139 18389 3358 1 4 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.636 -2.232 18389 3359 1 4 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.706 -3.641 18389 3360 1 4 . 1 1 120 120 PHE N N 120 124.627 124.627 119.862 4.765 18389 3361 1 4 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.433 0.561 18389 3362 1 4 . 1 1 120 120 PHE C C 120 175.402 175.402 178.101 -2.699 18389 3363 1 4 . 1 1 120 120 PHE CA C 120 59.272 59.272 61.029 -1.757 18389 3364 1 4 . 1 1 120 120 PHE CB C 120 35.245 35.245 38.220 -2.975 18389 3365 1 4 . 1 1 120 120 PHE H H 120 8.160 8.160 8.183 -0.023 18389 3366 1 4 . 1 1 121 121 SER N N 121 110.551 110.551 113.523 -2.972 18389 3367 1 4 . 1 1 121 121 SER HA H 121 4.647 4.647 4.294 0.353 18389 3368 1 4 . 1 1 121 121 SER C C 121 173.187 173.187 174.827 -1.640 18389 3369 1 4 . 1 1 121 121 SER CA C 121 57.359 57.359 60.777 -3.418 18389 3370 1 4 . 1 1 121 121 SER CB C 121 60.639 60.639 62.561 -1.922 18389 3371 1 4 . 1 1 121 121 SER H H 121 8.367 8.367 8.634 -0.267 18389 3372 1 4 . 1 1 122 122 SER N N 122 117.166 117.166 115.921 1.245 18389 3373 1 4 . 1 1 122 122 SER HA H 122 4.946 4.946 4.350 0.596 18389 3374 1 4 . 1 1 122 122 SER C C 122 172.296 172.296 173.757 -1.461 18389 3375 1 4 . 1 1 122 122 SER CA C 122 57.525 57.525 58.130 -0.605 18389 3376 1 4 . 1 1 122 122 SER CB C 122 61.716 61.716 63.339 -1.623 18389 3377 1 4 . 1 1 122 122 SER H H 122 8.537 8.537 7.498 1.039 18389 3378 1 4 . 1 1 123 123 PHE N N 123 119.840 119.840 121.431 -1.591 18389 3379 1 4 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.774 -0.127 18389 3380 1 4 . 1 1 123 123 PHE C C 123 173.527 173.527 176.102 -2.575 18389 3381 1 4 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.435 -0.657 18389 3382 1 4 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.965 -1.418 18389 3383 1 4 . 1 1 123 123 PHE H H 123 7.807 7.807 7.516 0.291 18389 3384 1 4 . 1 1 124 124 ARG N N 124 120.098 120.098 122.416 -2.318 18389 3385 1 4 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.117 0.224 18389 3386 1 4 . 1 1 124 124 ARG C C 124 172.631 172.631 174.901 -2.270 18389 3387 1 4 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.453 -2.128 18389 3388 1 4 . 1 1 124 124 ARG CB C 124 30.721 30.721 32.962 -2.241 18389 3389 1 4 . 1 1 124 124 ARG H H 124 9.297 9.297 9.372 -0.075 18389 3390 1 4 . 1 1 125 125 ARG N N 125 126.739 126.739 120.154 6.585 18389 3391 1 4 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.885 -1.923 18389 3392 1 4 . 1 1 125 125 ARG C C 125 174.319 174.319 176.328 -2.009 18389 3393 1 4 . 1 1 125 125 ARG CA C 125 55.036 55.036 54.380 0.656 18389 3394 1 4 . 1 1 125 125 ARG CB C 125 27.348 27.348 32.020 -4.672 18389 3395 1 4 . 1 1 125 125 ARG H H 125 8.611 8.611 8.439 0.172 18389 3396 1 4 . 1 1 126 126 ARG N N 126 126.556 126.556 122.055 4.501 18389 3397 1 4 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.525 -0.561 18389 3398 1 4 . 1 1 126 126 ARG C C 126 174.021 174.021 174.735 -0.714 18389 3399 1 4 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.194 0.344 18389 3400 1 4 . 1 1 126 126 ARG CB C 126 29.739 29.739 31.281 -1.542 18389 3401 1 4 . 1 1 126 126 ARG H H 126 7.917 7.917 8.005 -0.088 18389 3402 1 4 . 1 1 127 127 LEU N N 127 124.550 124.550 124.839 -0.289 18389 3403 1 4 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.673 -0.019 18389 3404 1 4 . 1 1 127 127 LEU C C 127 175.775 175.775 176.274 -0.499 18389 3405 1 4 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.867 -2.659 18389 3406 1 4 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.794 -1.416 18389 3407 1 4 . 1 1 127 127 LEU H H 127 8.817 8.817 8.591 0.226 18389 3408 1 4 . 1 1 128 128 ASP N N 128 116.209 116.209 119.306 -3.097 18389 3409 1 4 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.437 0.112 18389 3410 1 4 . 1 1 128 128 ASP C C 128 172.491 172.491 176.224 -3.733 18389 3411 1 4 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.055 -2.563 18389 3412 1 4 . 1 1 128 128 ASP CB C 128 36.582 36.582 40.590 -4.008 18389 3413 1 4 . 1 1 128 128 ASP H H 128 9.072 9.072 8.420 0.652 18389 3414 1 4 . 1 1 129 129 TYR N N 129 119.329 119.329 120.645 -1.316 18389 3415 1 4 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.556 -0.203 18389 3416 1 4 . 1 1 129 129 TYR C C 129 169.992 169.992 173.898 -3.906 18389 3417 1 4 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.876 -1.531 18389 3418 1 4 . 1 1 129 129 TYR CB C 129 38.447 38.447 39.355 -0.908 18389 3419 1 4 . 1 1 129 129 TYR H H 129 7.002 7.002 7.616 -0.614 18389 3420 1 4 . 1 1 130 130 GLN N N 130 121.469 121.469 125.188 -3.719 18389 3421 1 4 . 1 1 130 130 GLN HA H 130 3.909 3.909 3.775 0.134 18389 3422 1 4 . 1 1 130 130 GLN C C 130 170.223 170.223 173.073 -2.850 18389 3423 1 4 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.775 -2.986 18389 3424 1 4 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.638 -2.013 18389 3425 1 4 . 1 1 130 130 GLN H H 130 6.288 6.288 7.794 -1.506 18389 3426 1 4 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.320 0.090 18389 3427 1 4 . 1 1 132 132 PRO C C 132 175.720 175.720 177.107 -1.387 18389 3428 1 4 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.075 -2.002 18389 3429 1 4 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.925 -2.810 18389 3430 1 4 . 1 1 133 133 GLY N N 133 104.558 104.558 108.853 -4.295 18389 3431 1 4 . 1 1 133 133 GLY C C 133 171.229 171.229 173.560 -2.331 18389 3432 1 4 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.790 -1.275 18389 3433 1 4 . 1 1 133 133 GLY H H 133 8.298 8.298 8.665 -0.367 18389 3434 1 4 . 1 1 134 134 GLN N N 134 116.684 116.684 119.488 -2.804 18389 3435 1 4 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.294 0.073 18389 3436 1 4 . 1 1 134 134 GLN C C 134 172.815 172.815 175.241 -2.426 18389 3437 1 4 . 1 1 134 134 GLN CA C 134 53.804 53.804 54.450 -0.646 18389 3438 1 4 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.426 -4.560 18389 3439 1 4 . 1 1 134 134 GLN H H 134 7.273 7.273 7.371 -0.098 18389 3440 1 4 . 1 1 135 135 ASP N N 135 118.688 118.688 121.971 -3.283 18389 3441 1 4 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.425 -0.063 18389 3442 1 4 . 1 1 135 135 ASP C C 135 174.301 174.301 175.220 -0.919 18389 3443 1 4 . 1 1 135 135 ASP CA C 135 51.810 51.810 55.368 -3.558 18389 3444 1 4 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.131 -4.227 18389 3445 1 4 . 1 1 135 135 ASP H H 135 8.844 8.844 8.659 0.185 18389 3446 1 4 . 1 1 136 136 MET N N 136 114.721 114.721 124.845 -10.124 18389 3447 1 4 . 1 1 136 136 MET HA H 136 4.035 4.035 4.636 -0.601 18389 3448 1 4 . 1 1 136 136 MET C C 136 174.252 174.252 176.500 -2.248 18389 3449 1 4 . 1 1 136 136 MET CA C 136 54.461 54.461 54.176 0.285 18389 3450 1 4 . 1 1 136 136 MET CB C 136 29.439 29.439 32.818 -3.379 18389 3451 1 4 . 1 1 136 136 MET H H 136 7.585 7.585 8.398 -0.813 18389 3452 1 4 . 1 1 137 137 SER N N 137 118.130 118.130 114.957 3.173 18389 3453 1 4 . 1 1 137 137 SER HA H 137 4.392 4.392 4.471 -0.079 18389 3454 1 4 . 1 1 137 137 SER C C 137 174.811 174.811 176.249 -1.438 18389 3455 1 4 . 1 1 137 137 SER CA C 137 57.841 57.841 59.581 -1.740 18389 3456 1 4 . 1 1 137 137 SER CB C 137 62.369 62.369 64.243 -1.874 18389 3457 1 4 . 1 1 137 137 SER H H 137 9.140 9.140 8.991 0.149 18389 3458 1 4 . 1 1 138 138 GLY N N 138 114.534 114.534 110.235 4.299 18389 3459 1 4 . 1 1 138 138 GLY C C 138 170.903 170.903 174.270 -3.367 18389 3460 1 4 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.830 -1.633 18389 3461 1 4 . 1 1 138 138 GLY H H 138 10.549 10.549 8.909 1.640 18389 3462 1 4 . 1 1 139 139 THR N N 139 112.564 112.564 114.697 -2.133 18389 3463 1 4 . 1 1 139 139 THR HA H 139 4.538 4.538 4.576 -0.038 18389 3464 1 4 . 1 1 139 139 THR C C 139 168.086 168.086 172.999 -4.913 18389 3465 1 4 . 1 1 139 139 THR CA C 139 57.132 57.132 60.955 -3.823 18389 3466 1 4 . 1 1 139 139 THR CB C 139 68.854 68.854 71.890 -3.036 18389 3467 1 4 . 1 1 139 139 THR H H 139 8.504 8.504 7.396 1.108 18389 3468 1 4 . 1 1 140 140 LEU N N 140 129.971 129.971 120.965 9.006 18389 3469 1 4 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.116 -0.345 18389 3470 1 4 . 1 1 140 140 LEU C C 140 172.175 172.175 175.697 -3.522 18389 3471 1 4 . 1 1 140 140 LEU CA C 140 51.335 51.335 54.097 -2.762 18389 3472 1 4 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.494 -5.622 18389 3473 1 4 . 1 1 140 140 LEU H H 140 7.900 7.900 7.632 0.268 18389 3474 1 4 . 1 1 141 141 ASP N N 141 132.200 132.200 125.474 6.726 18389 3475 1 4 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.836 -0.132 18389 3476 1 4 . 1 1 141 141 ASP C C 141 172.137 172.137 176.210 -4.073 18389 3477 1 4 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.341 -1.649 18389 3478 1 4 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.462 -2.901 18389 3479 1 4 . 1 1 141 141 ASP H H 141 9.101 9.101 9.099 0.002 18389 3480 1 4 . 1 1 142 142 LEU N N 142 122.667 122.667 120.297 2.370 18389 3481 1 4 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.949 -0.209 18389 3482 1 4 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.849 -3.102 18389 3483 1 4 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.579 -1.681 18389 3484 1 4 . 1 1 142 142 LEU H H 142 7.799 7.799 8.204 -0.405 18389 3485 1 4 . 1 1 143 143 ASP N N 143 112.789 112.789 116.680 -3.891 18389 3486 1 4 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.472 0.444 18389 3487 1 4 . 1 1 143 143 ASP C C 143 173.547 173.547 176.300 -2.753 18389 3488 1 4 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.115 -5.014 18389 3489 1 4 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.210 -2.912 18389 3490 1 4 . 1 1 143 143 ASP H H 143 8.473 8.473 8.241 0.232 18389 3491 1 4 . 1 1 144 144 ASN N N 144 120.743 120.743 115.473 5.270 18389 3492 1 4 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.881 0.198 18389 3493 1 4 . 1 1 144 144 ASN C C 144 171.278 171.278 173.423 -2.145 18389 3494 1 4 . 1 1 144 144 ASN CA C 144 49.474 49.474 51.916 -2.442 18389 3495 1 4 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.272 -2.093 18389 3496 1 4 . 1 1 144 144 ASN H H 144 7.867 7.867 7.725 0.142 18389 3497 1 4 . 1 1 145 145 ILE N N 145 122.844 122.844 119.913 2.931 18389 3498 1 4 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.366 -0.526 18389 3499 1 4 . 1 1 145 145 ILE C C 145 172.420 172.420 176.124 -3.704 18389 3500 1 4 . 1 1 145 145 ILE CA C 145 57.861 57.861 61.214 -3.353 18389 3501 1 4 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.246 -3.839 18389 3502 1 4 . 1 1 145 145 ILE H H 145 8.770 8.770 7.558 1.212 18389 3503 1 4 . 1 1 146 146 ASP N N 146 125.428 125.428 125.438 -0.010 18389 3504 1 4 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.833 -0.180 18389 3505 1 4 . 1 1 146 146 ASP C C 146 172.931 172.931 175.489 -2.558 18389 3506 1 4 . 1 1 146 146 ASP CA C 146 53.352 53.352 54.732 -1.380 18389 3507 1 4 . 1 1 146 146 ASP CB C 146 43.912 43.912 44.557 -0.645 18389 3508 1 4 . 1 1 146 146 ASP H H 146 9.355 9.355 9.030 0.325 18389 3509 1 4 . 1 1 147 147 SER N N 147 108.442 108.442 110.609 -2.167 18389 3510 1 4 . 1 1 147 147 SER HA H 147 5.054 5.054 5.019 0.035 18389 3511 1 4 . 1 1 147 147 SER C C 147 169.957 169.957 172.301 -2.344 18389 3512 1 4 . 1 1 147 147 SER CA C 147 54.584 54.584 57.433 -2.849 18389 3513 1 4 . 1 1 147 147 SER CB C 147 62.518 62.518 65.897 -3.379 18389 3514 1 4 . 1 1 147 147 SER H H 147 7.927 7.927 7.423 0.504 18389 3515 1 4 . 1 1 148 148 ILE N N 148 110.150 110.150 114.159 -4.009 18389 3516 1 4 . 1 1 148 148 ILE HA H 148 5.649 5.649 4.926 0.723 18389 3517 1 4 . 1 1 148 148 ILE C C 148 171.932 171.932 173.635 -1.703 18389 3518 1 4 . 1 1 148 148 ILE CA C 148 56.622 56.622 58.955 -2.333 18389 3519 1 4 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.547 -2.834 18389 3520 1 4 . 1 1 148 148 ILE H H 148 8.043 8.043 8.667 -0.624 18389 3521 1 4 . 1 1 149 149 HIS N N 149 118.612 118.612 119.134 -0.522 18389 3522 1 4 . 1 1 149 149 HIS HA H 149 6.490 6.490 4.972 1.518 18389 3523 1 4 . 1 1 149 149 HIS C C 149 174.287 174.287 173.935 0.352 18389 3524 1 4 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.606 -2.704 18389 3525 1 4 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.773 -0.814 18389 3526 1 4 . 1 1 149 149 HIS H H 149 9.331 9.331 7.945 1.386 18389 3527 1 4 . 1 1 150 150 PHE N N 150 117.037 117.037 119.879 -2.842 18389 3528 1 4 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.388 1.142 18389 3529 1 4 . 1 1 150 150 PHE C C 150 172.808 172.808 174.937 -2.129 18389 3530 1 4 . 1 1 150 150 PHE CA C 150 56.503 56.503 58.583 -2.080 18389 3531 1 4 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.311 -1.031 18389 3532 1 4 . 1 1 150 150 PHE H H 150 8.788 8.788 7.910 0.878 18389 3533 1 4 . 1 1 151 151 MET N N 151 119.781 119.781 117.288 2.493 18389 3534 1 4 . 1 1 151 151 MET HA H 151 4.664 4.664 3.721 0.943 18389 3535 1 4 . 1 1 151 151 MET C C 151 170.282 170.282 173.457 -3.175 18389 3536 1 4 . 1 1 151 151 MET CA C 151 52.146 52.146 53.956 -1.810 18389 3537 1 4 . 1 1 151 151 MET CB C 151 34.947 34.947 37.209 -2.262 18389 3538 1 4 . 1 1 151 151 MET H H 151 9.761 9.761 8.487 1.274 18389 3539 1 4 . 1 1 152 152 TYR N N 152 117.149 117.149 120.820 -3.671 18389 3540 1 4 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.779 -0.703 18389 3541 1 4 . 1 1 152 152 TYR C C 152 171.554 171.554 175.211 -3.657 18389 3542 1 4 . 1 1 152 152 TYR CA C 152 55.345 55.345 57.121 -1.776 18389 3543 1 4 . 1 1 152 152 TYR CB C 152 36.904 36.904 37.660 -0.756 18389 3544 1 4 . 1 1 152 152 TYR H H 152 6.275 6.275 8.265 -1.990 18389 3545 1 4 . 1 1 153 153 ALA N N 153 121.523 121.523 125.763 -4.240 18389 3546 1 4 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.497 -0.334 18389 3547 1 4 . 1 1 153 153 ALA C C 153 173.777 173.777 176.166 -2.389 18389 3548 1 4 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.839 -2.654 18389 3549 1 4 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.678 0.287 18389 3550 1 4 . 1 1 153 153 ALA H H 153 10.019 10.019 8.690 1.329 18389 3551 1 4 . 1 1 154 154 ASN N N 154 114.643 114.643 116.650 -2.007 18389 3552 1 4 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.929 0.255 18389 3553 1 4 . 1 1 154 154 ASN C C 154 173.267 173.267 173.887 -0.620 18389 3554 1 4 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.737 -2.822 18389 3555 1 4 . 1 1 154 154 ASN CB C 154 36.713 36.713 41.780 -5.067 18389 3556 1 4 . 1 1 154 154 ASN H H 154 8.141 8.141 8.386 -0.245 18389 3557 1 4 . 1 1 156 156 LYS N N 156 119.099 119.099 120.828 -1.729 18389 3558 1 4 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.123 0.615 18389 3559 1 4 . 1 1 156 156 LYS C C 156 173.965 173.965 175.368 -1.403 18389 3560 1 4 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.773 -2.901 18389 3561 1 4 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.136 -2.710 18389 3562 1 4 . 1 1 156 156 LYS H H 156 8.298 8.298 7.616 0.682 18389 3563 1 4 . 1 1 157 157 SER N N 157 115.584 115.584 113.954 1.630 18389 3564 1 4 . 1 1 157 157 SER HA H 157 5.055 5.055 4.398 0.657 18389 3565 1 4 . 1 1 157 157 SER C C 157 169.925 169.925 174.389 -4.464 18389 3566 1 4 . 1 1 157 157 SER CA C 157 55.617 55.617 57.968 -2.351 18389 3567 1 4 . 1 1 157 157 SER CB C 157 63.180 63.180 63.868 -0.688 18389 3568 1 4 . 1 1 157 157 SER H H 157 8.240 8.240 8.169 0.071 18389 3569 1 4 . 1 1 158 158 GLY N N 158 108.219 108.219 112.872 -4.653 18389 3570 1 4 . 1 1 158 158 GLY C C 158 168.322 168.322 171.543 -3.221 18389 3571 1 4 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.540 -1.975 18389 3572 1 4 . 1 1 158 158 GLY H H 158 6.942 6.942 8.660 -1.718 18389 3573 1 4 . 1 1 159 159 LYS N N 159 116.608 116.608 119.266 -2.658 18389 3574 1 4 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.631 -0.110 18389 3575 1 4 . 1 1 159 159 LYS C C 159 172.966 172.966 175.469 -2.503 18389 3576 1 4 . 1 1 159 159 LYS CA C 159 53.141 53.141 55.029 -1.888 18389 3577 1 4 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.732 -2.027 18389 3578 1 4 . 1 1 159 159 LYS H H 159 7.925 7.925 8.372 -0.447 18389 3579 1 4 . 1 1 160 160 PHE N N 160 121.804 121.804 118.511 3.293 18389 3580 1 4 . 1 1 160 160 PHE HA H 160 5.525 5.525 4.914 0.611 18389 3581 1 4 . 1 1 160 160 PHE C C 160 168.125 168.125 172.409 -4.284 18389 3582 1 4 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.722 -3.408 18389 3583 1 4 . 1 1 160 160 PHE CB C 160 39.051 39.051 42.052 -3.001 18389 3584 1 4 . 1 1 160 160 PHE H H 160 8.834 8.834 8.894 -0.060 18389 3585 1 4 . 1 1 161 161 VAL N N 161 119.787 119.787 119.642 0.145 18389 3586 1 4 . 1 1 161 161 VAL HA H 161 5.378 5.378 4.906 0.472 18389 3587 1 4 . 1 1 161 161 VAL C C 161 170.736 170.736 174.962 -4.226 18389 3588 1 4 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.400 -3.744 18389 3589 1 4 . 1 1 161 161 VAL CB C 161 31.937 31.937 34.513 -2.576 18389 3590 1 4 . 1 1 161 161 VAL H H 161 9.277 9.277 8.579 0.698 18389 3591 1 4 . 1 1 162 162 VAL N N 162 121.357 121.357 119.074 2.283 18389 3592 1 4 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.629 0.338 18389 3593 1 4 . 1 1 162 162 VAL C C 162 170.928 170.928 174.375 -3.447 18389 3594 1 4 . 1 1 162 162 VAL CA C 162 55.686 55.686 58.525 -2.839 18389 3595 1 4 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.847 -2.006 18389 3596 1 4 . 1 1 162 162 VAL H H 162 8.453 8.453 9.106 -0.653 18389 3597 1 4 . 1 1 163 163 ASP N N 163 119.088 119.088 120.793 -1.705 18389 3598 1 4 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.487 0.092 18389 3599 1 4 . 1 1 163 163 ASP C C 163 172.563 172.563 174.854 -2.291 18389 3600 1 4 . 1 1 163 163 ASP CA C 163 49.482 49.482 53.364 -3.882 18389 3601 1 4 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.026 -2.563 18389 3602 1 4 . 1 1 163 163 ASP H H 163 9.233 9.233 9.116 0.117 18389 3603 1 4 . 1 1 164 164 ASN N N 164 117.316 117.316 117.807 -0.491 18389 3604 1 4 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.580 0.069 18389 3605 1 4 . 1 1 164 164 ASN C C 164 170.940 170.940 175.078 -4.138 18389 3606 1 4 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.340 -1.668 18389 3607 1 4 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.762 -2.367 18389 3608 1 4 . 1 1 164 164 ASN H H 164 9.864 9.864 8.747 1.117 18389 3609 1 4 . 1 1 165 165 ILE N N 165 118.660 118.660 119.239 -0.579 18389 3610 1 4 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.548 0.891 18389 3611 1 4 . 1 1 165 165 ILE C C 165 173.336 173.336 175.600 -2.264 18389 3612 1 4 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.631 -3.476 18389 3613 1 4 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.619 -2.432 18389 3614 1 4 . 1 1 165 165 ILE H H 165 8.716 8.716 8.581 0.135 18389 3615 1 4 . 1 1 166 166 LYS N N 166 127.896 127.896 124.330 3.566 18389 3616 1 4 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.209 -0.031 18389 3617 1 4 . 1 1 166 166 LYS C C 166 170.453 170.453 174.151 -3.698 18389 3618 1 4 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.676 -2.152 18389 3619 1 4 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.927 -1.681 18389 3620 1 4 . 1 1 166 166 LYS H H 166 9.921 9.921 9.180 0.741 18389 3621 1 4 . 1 1 167 167 LEU N N 167 120.747 120.747 122.258 -1.511 18389 3622 1 4 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.978 -0.142 18389 3623 1 4 . 1 1 167 167 LEU C C 167 173.703 173.703 174.691 -0.988 18389 3624 1 4 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.407 -2.829 18389 3625 1 4 . 1 1 167 167 LEU CB C 167 40.711 40.711 45.489 -4.779 18389 3626 1 4 . 1 1 167 167 LEU H H 167 8.552 8.552 8.858 -0.306 18389 3627 1 4 . 1 1 168 168 ILE N N 168 116.914 116.914 124.227 -7.313 18389 3628 1 4 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.654 0.335 18389 3629 1 4 . 1 1 168 168 ILE C C 168 173.923 173.923 175.729 -1.806 18389 3630 1 4 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.519 -1.143 18389 3631 1 4 . 1 1 168 168 ILE CB C 168 38.938 38.938 39.307 -0.369 18389 3632 1 4 . 1 1 168 168 ILE H H 168 8.523 8.523 9.253 -0.730 18389 3633 1 4 . 1 1 169 169 GLY N N 169 114.527 114.527 113.492 1.035 18389 3634 1 4 . 1 1 169 169 GLY C C 169 169.252 169.252 173.720 -4.468 18389 3635 1 4 . 1 1 169 169 GLY CA C 169 42.925 42.925 43.671 -0.746 18389 3636 1 4 . 1 1 169 169 GLY H H 169 8.942 8.942 8.073 0.869 18389 3637 1 4 . 1 1 170 170 ALA N N 170 123.678 123.678 121.171 2.507 18389 3638 1 4 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.230 0.194 18389 3639 1 4 . 1 1 170 170 ALA C C 170 174.985 174.985 176.882 -1.897 18389 3640 1 4 . 1 1 170 170 ALA CA C 170 49.344 49.344 52.350 -3.006 18389 3641 1 4 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.219 -2.132 18389 3642 1 4 . 1 1 170 170 ALA H H 170 8.321 8.321 8.092 0.229 18389 3643 1 4 . 1 1 171 171 LEU N N 171 122.139 122.139 118.994 3.145 18389 3644 1 4 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.877 -0.472 18389 3645 1 4 . 1 1 171 171 LEU C C 171 174.478 174.478 175.468 -0.990 18389 3646 1 4 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.809 -2.175 18389 3647 1 4 . 1 1 171 171 LEU CB C 171 40.111 40.111 43.493 -3.382 18389 3648 1 4 . 1 1 171 171 LEU H H 171 8.182 8.182 8.238 -0.056 18389 3649 1 5 . 1 1 2 2 ALA N N 2 119.048 119.048 123.032 -3.984 18389 3650 1 5 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.574 -0.290 18389 3651 1 5 . 1 1 2 2 ALA C C 2 174.144 174.144 176.790 -2.646 18389 3652 1 5 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.778 -3.395 18389 3653 1 5 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.050 -0.221 18389 3654 1 5 . 1 1 2 2 ALA H H 2 9.577 9.577 7.990 1.587 18389 3655 1 5 . 1 1 3 3 SER N N 3 114.278 114.278 117.741 -3.463 18389 3656 1 5 . 1 1 3 3 SER C C 3 173.040 173.040 173.122 -0.082 18389 3657 1 5 . 1 1 3 3 SER H H 3 8.152 8.152 8.656 -0.504 18389 3658 1 5 . 1 1 6 6 GLY N N 6 112.362 112.362 108.100 4.262 18389 3659 1 5 . 1 1 6 6 GLY C C 6 170.686 170.686 173.727 -3.041 18389 3660 1 5 . 1 1 6 6 GLY CA C 6 43.313 43.313 44.630 -1.317 18389 3661 1 5 . 1 1 6 6 GLY H H 6 8.750 8.750 8.023 0.727 18389 3662 1 5 . 1 1 7 7 GLU N N 7 117.722 117.722 119.988 -2.266 18389 3663 1 5 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.611 0.818 18389 3664 1 5 . 1 1 7 7 GLU C C 7 172.744 172.744 175.205 -2.461 18389 3665 1 5 . 1 1 7 7 GLU CA C 7 52.248 52.248 55.565 -3.317 18389 3666 1 5 . 1 1 7 7 GLU CB C 7 31.170 31.170 30.949 0.221 18389 3667 1 5 . 1 1 7 7 GLU H H 7 8.078 8.078 8.229 -0.151 18389 3668 1 5 . 1 1 8 8 LYS N N 8 122.832 122.832 121.838 0.994 18389 3669 1 5 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.440 0.099 18389 3670 1 5 . 1 1 8 8 LYS C C 8 171.963 171.963 174.754 -2.791 18389 3671 1 5 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.693 -2.128 18389 3672 1 5 . 1 1 8 8 LYS CB C 8 33.185 33.185 36.007 -2.822 18389 3673 1 5 . 1 1 8 8 LYS H H 8 8.434 8.434 8.777 -0.343 18389 3674 1 5 . 1 1 9 9 MET N N 9 128.562 128.562 126.188 2.374 18389 3675 1 5 . 1 1 9 9 MET HA H 9 4.536 4.536 4.490 0.046 18389 3676 1 5 . 1 1 9 9 MET C C 9 172.911 172.911 175.135 -2.224 18389 3677 1 5 . 1 1 9 9 MET CA C 9 53.012 53.012 56.628 -3.616 18389 3678 1 5 . 1 1 9 9 MET CB C 9 28.376 28.376 32.325 -3.949 18389 3679 1 5 . 1 1 9 9 MET H H 9 8.984 8.984 8.740 0.244 18389 3680 1 5 . 1 1 10 10 LEU N N 10 129.881 129.881 125.820 4.061 18389 3681 1 5 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.807 -0.143 18389 3682 1 5 . 1 1 10 10 LEU C C 10 174.887 174.887 176.613 -1.726 18389 3683 1 5 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.226 -2.013 18389 3684 1 5 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.706 -3.308 18389 3685 1 5 . 1 1 10 10 LEU H H 10 9.751 9.751 8.929 0.822 18389 3686 1 5 . 1 1 11 11 ASP N N 11 115.516 115.516 117.409 -1.893 18389 3687 1 5 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.928 -0.205 18389 3688 1 5 . 1 1 11 11 ASP C C 11 170.836 170.836 174.502 -3.666 18389 3689 1 5 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.849 -0.266 18389 3690 1 5 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.924 -3.705 18389 3691 1 5 . 1 1 11 11 ASP H H 11 8.110 8.110 8.038 0.072 18389 3692 1 5 . 1 1 12 12 ASP N N 12 124.144 124.144 120.458 3.686 18389 3693 1 5 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.957 -0.106 18389 3694 1 5 . 1 1 12 12 ASP C C 12 175.055 175.055 176.377 -1.322 18389 3695 1 5 . 1 1 12 12 ASP CA C 12 50.310 50.310 53.148 -2.838 18389 3696 1 5 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.596 -3.401 18389 3697 1 5 . 1 1 12 12 ASP H H 12 8.053 8.053 8.643 -0.590 18389 3698 1 5 . 1 1 13 13 PHE N N 13 117.584 117.584 116.696 0.888 18389 3699 1 5 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.287 -0.015 18389 3700 1 5 . 1 1 13 13 PHE C C 13 171.960 171.960 176.348 -4.388 18389 3701 1 5 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.198 -0.285 18389 3702 1 5 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.391 -4.216 18389 3703 1 5 . 1 1 13 13 PHE H H 13 9.327 9.327 8.480 0.847 18389 3704 1 5 . 1 1 14 14 GLU N N 14 113.122 113.122 119.566 -6.444 18389 3705 1 5 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.459 0.590 18389 3706 1 5 . 1 1 14 14 GLU C C 14 175.300 175.300 176.942 -1.642 18389 3707 1 5 . 1 1 14 14 GLU CA C 14 51.981 51.981 56.484 -4.503 18389 3708 1 5 . 1 1 14 14 GLU CB C 14 24.994 24.994 28.345 -3.350 18389 3709 1 5 . 1 1 14 14 GLU H H 14 8.165 8.165 8.731 -0.566 18389 3710 1 5 . 1 1 15 15 GLY N N 15 110.108 110.108 106.696 3.412 18389 3711 1 5 . 1 1 15 15 GLY C C 15 171.609 171.609 172.466 -0.857 18389 3712 1 5 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.709 -2.856 18389 3713 1 5 . 1 1 15 15 GLY H H 15 8.117 8.117 7.355 0.762 18389 3714 1 5 . 1 1 16 16 VAL N N 16 121.792 121.792 119.996 1.796 18389 3715 1 5 . 1 1 16 16 VAL HA H 16 4.271 4.271 3.924 0.347 18389 3716 1 5 . 1 1 16 16 VAL C C 16 173.203 173.203 177.173 -3.970 18389 3717 1 5 . 1 1 16 16 VAL CA C 16 59.283 59.283 63.068 -3.785 18389 3718 1 5 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.550 -2.349 18389 3719 1 5 . 1 1 16 16 VAL H H 16 8.190 8.190 8.254 -0.064 18389 3720 1 5 . 1 1 17 17 LEU N N 17 124.682 124.682 127.625 -2.943 18389 3721 1 5 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.358 0.540 18389 3722 1 5 . 1 1 17 17 LEU C C 17 174.685 174.685 176.592 -1.907 18389 3723 1 5 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.864 -3.066 18389 3724 1 5 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.558 -3.422 18389 3725 1 5 . 1 1 17 17 LEU H H 17 8.500 8.500 8.106 0.394 18389 3726 1 5 . 1 1 18 18 ASN N N 18 127.589 127.589 122.744 4.845 18389 3727 1 5 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.462 0.685 18389 3728 1 5 . 1 1 18 18 ASN C C 18 171.583 171.583 173.568 -1.985 18389 3729 1 5 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.061 -1.084 18389 3730 1 5 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.434 -1.291 18389 3731 1 5 . 1 1 18 18 ASN H H 18 9.956 9.956 8.351 1.605 18389 3732 1 5 . 1 1 19 19 TRP N N 19 119.913 119.913 118.713 1.200 18389 3733 1 5 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.039 0.019 18389 3734 1 5 . 1 1 19 19 TRP C C 19 174.918 174.918 176.093 -1.175 18389 3735 1 5 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.686 -0.310 18389 3736 1 5 . 1 1 19 19 TRP CB C 19 27.400 27.400 32.323 -4.923 18389 3737 1 5 . 1 1 19 19 TRP H H 19 7.057 7.057 7.050 0.007 18389 3738 1 5 . 1 1 20 20 GLY N N 20 112.934 112.934 109.896 3.038 18389 3739 1 5 . 1 1 20 20 GLY C C 20 171.436 171.436 173.824 -2.388 18389 3740 1 5 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.522 -3.582 18389 3741 1 5 . 1 1 20 20 GLY H H 20 9.622 9.622 9.154 0.468 18389 3742 1 5 . 1 1 21 21 SER N N 21 114.752 114.752 120.157 -5.405 18389 3743 1 5 . 1 1 21 21 SER HA H 21 5.686 5.686 5.652 0.034 18389 3744 1 5 . 1 1 21 21 SER C C 21 170.314 170.314 173.944 -3.630 18389 3745 1 5 . 1 1 21 21 SER CA C 21 55.911 55.911 57.786 -1.875 18389 3746 1 5 . 1 1 21 21 SER CB C 21 64.070 64.070 65.575 -1.505 18389 3747 1 5 . 1 1 21 21 SER H H 21 8.899 8.899 8.404 0.495 18389 3748 1 5 . 1 1 22 22 TYR N N 22 118.001 118.001 120.639 -2.638 18389 3749 1 5 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.839 0.461 18389 3750 1 5 . 1 1 22 22 TYR C C 22 170.760 170.760 174.418 -3.658 18389 3751 1 5 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.397 -2.747 18389 3752 1 5 . 1 1 22 22 TYR CB C 22 37.824 37.824 42.267 -4.443 18389 3753 1 5 . 1 1 22 22 TYR H H 22 8.807 8.807 8.386 0.421 18389 3754 1 5 . 1 1 23 23 SER N N 23 109.826 109.826 114.190 -4.364 18389 3755 1 5 . 1 1 23 23 SER HA H 23 4.912 4.912 5.221 -0.309 18389 3756 1 5 . 1 1 23 23 SER C C 23 169.918 169.918 174.341 -4.423 18389 3757 1 5 . 1 1 23 23 SER CA C 23 55.664 55.664 57.235 -1.571 18389 3758 1 5 . 1 1 23 23 SER CB C 23 62.361 62.361 66.377 -4.016 18389 3759 1 5 . 1 1 23 23 SER H H 23 8.435 8.435 8.399 0.036 18389 3760 1 5 . 1 1 24 24 GLY N N 24 103.788 103.788 109.835 -6.047 18389 3761 1 5 . 1 1 24 24 GLY C C 24 170.240 170.240 175.721 -5.481 18389 3762 1 5 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.338 -1.571 18389 3763 1 5 . 1 1 24 24 GLY H H 24 7.339 7.339 8.415 -1.076 18389 3764 1 5 . 1 1 25 25 GLU N N 25 116.420 116.420 120.474 -4.054 18389 3765 1 5 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.052 0.057 18389 3766 1 5 . 1 1 25 25 GLU C C 25 173.683 173.683 177.753 -4.070 18389 3767 1 5 . 1 1 25 25 GLU CA C 25 53.687 53.687 58.660 -4.973 18389 3768 1 5 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.360 -4.213 18389 3769 1 5 . 1 1 25 25 GLU H H 25 8.962 8.962 8.780 0.182 18389 3770 1 5 . 1 1 26 26 GLY N N 26 106.660 106.660 105.756 0.904 18389 3771 1 5 . 1 1 26 26 GLY C C 26 171.638 171.638 173.789 -2.151 18389 3772 1 5 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.970 -1.797 18389 3773 1 5 . 1 1 26 26 GLY H H 26 8.483 8.483 7.732 0.751 18389 3774 1 5 . 1 1 27 27 ALA N N 27 123.407 123.407 122.419 0.988 18389 3775 1 5 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.631 0.016 18389 3776 1 5 . 1 1 27 27 ALA C C 27 174.232 174.232 175.054 -0.822 18389 3777 1 5 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.500 -1.937 18389 3778 1 5 . 1 1 27 27 ALA CB C 27 17.538 17.538 21.464 -3.926 18389 3779 1 5 . 1 1 27 27 ALA H H 27 7.182 7.182 7.738 -0.556 18389 3780 1 5 . 1 1 28 28 LYS N N 28 117.590 117.590 117.588 0.002 18389 3781 1 5 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.727 0.165 18389 3782 1 5 . 1 1 28 28 LYS C C 28 171.365 171.365 174.520 -3.155 18389 3783 1 5 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.765 -3.346 18389 3784 1 5 . 1 1 28 28 LYS CB C 28 34.544 34.544 37.249 -2.705 18389 3785 1 5 . 1 1 28 28 LYS H H 28 8.650 8.650 8.167 0.483 18389 3786 1 5 . 1 1 29 29 VAL N N 29 118.148 118.148 120.987 -2.839 18389 3787 1 5 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.296 0.945 18389 3788 1 5 . 1 1 29 29 VAL C C 29 169.809 169.809 175.171 -5.362 18389 3789 1 5 . 1 1 29 29 VAL CA C 29 57.083 57.083 61.489 -4.406 18389 3790 1 5 . 1 1 29 29 VAL CB C 29 31.475 31.475 33.541 -2.066 18389 3791 1 5 . 1 1 29 29 VAL H H 29 8.327 8.327 8.481 -0.154 18389 3792 1 5 . 1 1 30 30 SER N N 30 120.964 120.964 122.873 -1.909 18389 3793 1 5 . 1 1 30 30 SER HA H 30 4.993 4.993 4.773 0.220 18389 3794 1 5 . 1 1 30 30 SER C C 30 170.354 170.354 172.407 -2.053 18389 3795 1 5 . 1 1 30 30 SER CA C 30 54.438 54.438 57.862 -3.424 18389 3796 1 5 . 1 1 30 30 SER CB C 30 63.262 63.262 64.890 -1.628 18389 3797 1 5 . 1 1 30 30 SER H H 30 8.797 8.797 8.230 0.567 18389 3798 1 5 . 1 1 31 31 THR N N 31 112.970 112.970 117.063 -4.093 18389 3799 1 5 . 1 1 31 31 THR HA H 31 5.618 5.618 5.408 0.210 18389 3800 1 5 . 1 1 31 31 THR C C 31 171.857 171.857 173.358 -1.501 18389 3801 1 5 . 1 1 31 31 THR CA C 31 56.212 56.212 59.569 -3.357 18389 3802 1 5 . 1 1 31 31 THR CB C 31 69.719 69.719 71.721 -2.002 18389 3803 1 5 . 1 1 31 31 THR H H 31 8.384 8.384 8.244 0.140 18389 3804 1 5 . 1 1 32 32 LYS N N 32 119.710 119.710 121.594 -1.884 18389 3805 1 5 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.712 0.014 18389 3806 1 5 . 1 1 32 32 LYS C C 32 171.734 171.734 174.043 -2.309 18389 3807 1 5 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.406 -1.433 18389 3808 1 5 . 1 1 32 32 LYS CB C 32 34.094 34.094 34.350 -0.256 18389 3809 1 5 . 1 1 32 32 LYS H H 32 8.530 8.530 9.231 -0.701 18389 3810 1 5 . 1 1 33 33 ILE N N 33 124.276 124.276 121.989 2.287 18389 3811 1 5 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.437 0.537 18389 3812 1 5 . 1 1 33 33 ILE C C 33 173.578 173.578 176.622 -3.044 18389 3813 1 5 . 1 1 33 33 ILE CA C 33 57.439 57.439 61.834 -4.394 18389 3814 1 5 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.299 -4.836 18389 3815 1 5 . 1 1 33 33 ILE H H 33 8.669 8.669 8.533 0.136 18389 3816 1 5 . 1 1 34 34 VAL N N 34 121.698 121.698 121.516 0.182 18389 3817 1 5 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.698 0.169 18389 3818 1 5 . 1 1 34 34 VAL C C 34 172.702 172.702 174.267 -1.565 18389 3819 1 5 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.555 -2.896 18389 3820 1 5 . 1 1 34 34 VAL CB C 34 33.909 33.909 35.380 -1.471 18389 3821 1 5 . 1 1 34 34 VAL H H 34 8.463 8.463 8.283 0.180 18389 3822 1 5 . 1 1 35 35 SER N N 35 115.704 115.704 116.503 -0.799 18389 3823 1 5 . 1 1 35 35 SER HA H 35 4.590 4.590 4.646 -0.056 18389 3824 1 5 . 1 1 35 35 SER CA C 35 58.345 58.345 58.489 -0.144 18389 3825 1 5 . 1 1 35 35 SER CB C 35 60.619 60.619 63.311 -2.692 18389 3826 1 5 . 1 1 35 35 SER H H 35 8.271 8.271 8.453 -0.182 18389 3827 1 5 . 1 1 36 36 GLY N N 36 113.970 113.970 114.163 -0.193 18389 3828 1 5 . 1 1 36 36 GLY C C 36 170.257 170.257 173.468 -3.211 18389 3829 1 5 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.287 -3.589 18389 3830 1 5 . 1 1 36 36 GLY H H 36 9.267 9.267 8.174 1.093 18389 3831 1 5 . 1 1 37 37 LYS N N 37 129.227 129.227 119.495 9.732 18389 3832 1 5 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.943 -0.588 18389 3833 1 5 . 1 1 37 37 LYS C C 37 174.912 174.912 176.713 -1.801 18389 3834 1 5 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.881 -2.326 18389 3835 1 5 . 1 1 37 37 LYS CB C 37 29.409 29.409 33.356 -3.947 18389 3836 1 5 . 1 1 37 37 LYS H H 37 8.484 8.484 8.461 0.023 18389 3837 1 5 . 1 1 38 38 THR N N 38 109.924 109.924 109.553 0.371 18389 3838 1 5 . 1 1 38 38 THR HA H 38 4.398 4.398 4.459 -0.061 18389 3839 1 5 . 1 1 38 38 THR C C 38 171.818 171.818 173.869 -2.051 18389 3840 1 5 . 1 1 38 38 THR CA C 38 57.223 57.223 61.200 -3.977 18389 3841 1 5 . 1 1 38 38 THR CB C 38 67.805 67.805 71.338 -3.533 18389 3842 1 5 . 1 1 38 38 THR H H 38 7.549 7.549 8.011 -0.462 18389 3843 1 5 . 1 1 40 40 ASN N N 40 129.674 129.674 122.904 6.770 18389 3844 1 5 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.386 0.137 18389 3845 1 5 . 1 1 40 40 ASN C C 40 173.717 173.717 175.524 -1.807 18389 3846 1 5 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.138 -1.816 18389 3847 1 5 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.481 -3.293 18389 3848 1 5 . 1 1 40 40 ASN H H 40 10.958 10.958 8.605 2.353 18389 3849 1 5 . 1 1 41 41 GLY N N 41 111.261 111.261 106.982 4.279 18389 3850 1 5 . 1 1 41 41 GLY C C 41 166.652 166.652 172.321 -5.669 18389 3851 1 5 . 1 1 41 41 GLY CA C 41 41.711 41.711 44.648 -2.937 18389 3852 1 5 . 1 1 41 41 GLY H H 41 9.674 9.674 8.851 0.823 18389 3853 1 5 . 1 1 42 42 MET N N 42 119.165 119.165 119.435 -0.270 18389 3854 1 5 . 1 1 42 42 MET HA H 42 4.849 4.849 5.233 -0.384 18389 3855 1 5 . 1 1 42 42 MET C C 42 171.154 171.154 173.779 -2.625 18389 3856 1 5 . 1 1 42 42 MET CA C 42 51.503 51.503 54.245 -2.742 18389 3857 1 5 . 1 1 42 42 MET CB C 42 33.293 33.293 37.553 -4.260 18389 3858 1 5 . 1 1 42 42 MET H H 42 7.550 7.550 8.358 -0.808 18389 3859 1 5 . 1 1 43 43 GLU N N 43 128.221 128.221 125.584 2.637 18389 3860 1 5 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.352 -0.486 18389 3861 1 5 . 1 1 43 43 GLU C C 43 172.612 172.612 175.015 -2.403 18389 3862 1 5 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.647 -2.968 18389 3863 1 5 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.089 -2.693 18389 3864 1 5 . 1 1 43 43 GLU H H 43 9.355 9.355 9.129 0.226 18389 3865 1 5 . 1 1 44 44 VAL N N 44 131.011 131.011 124.632 6.379 18389 3866 1 5 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.750 -0.388 18389 3867 1 5 . 1 1 44 44 VAL C C 44 171.752 171.752 174.566 -2.814 18389 3868 1 5 . 1 1 44 44 VAL CA C 44 58.335 58.335 60.385 -2.050 18389 3869 1 5 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.514 -5.564 18389 3870 1 5 . 1 1 44 44 VAL H H 44 9.002 9.002 9.091 -0.089 18389 3871 1 5 . 1 1 45 45 SER N N 45 120.764 120.764 118.369 2.395 18389 3872 1 5 . 1 1 45 45 SER HA H 45 4.975 4.975 4.859 0.116 18389 3873 1 5 . 1 1 45 45 SER C C 45 170.500 170.500 173.771 -3.271 18389 3874 1 5 . 1 1 45 45 SER CA C 45 53.547 53.547 56.915 -3.368 18389 3875 1 5 . 1 1 45 45 SER CB C 45 61.650 61.650 63.511 -1.861 18389 3876 1 5 . 1 1 45 45 SER H H 45 8.511 8.511 8.566 -0.055 18389 3877 1 5 . 1 1 46 46 TYR N N 46 123.478 123.478 128.636 -5.158 18389 3878 1 5 . 1 1 46 46 TYR HA H 46 5.275 5.275 4.327 0.948 18389 3879 1 5 . 1 1 46 46 TYR C C 46 171.644 171.644 175.607 -3.963 18389 3880 1 5 . 1 1 46 46 TYR CA C 46 52.235 52.235 57.098 -4.863 18389 3881 1 5 . 1 1 46 46 TYR CB C 46 37.465 37.465 37.464 0.001 18389 3882 1 5 . 1 1 46 46 TYR H H 46 8.511 8.511 8.864 -0.353 18389 3883 1 5 . 1 1 47 47 THR N N 47 118.641 118.641 121.404 -2.763 18389 3884 1 5 . 1 1 47 47 THR HA H 47 4.793 4.793 4.494 0.299 18389 3885 1 5 . 1 1 47 47 THR C C 47 171.614 171.614 174.194 -2.580 18389 3886 1 5 . 1 1 47 47 THR CA C 47 58.267 58.267 62.741 -4.474 18389 3887 1 5 . 1 1 47 47 THR CB C 47 68.820 68.820 69.477 -0.657 18389 3888 1 5 . 1 1 47 47 THR H H 47 8.935 8.935 8.325 0.610 18389 3889 1 5 . 1 1 48 48 GLY N N 48 112.467 112.467 113.833 -1.366 18389 3890 1 5 . 1 1 48 48 GLY C C 48 170.521 170.521 172.255 -1.734 18389 3891 1 5 . 1 1 48 48 GLY CA C 48 42.076 42.076 45.436 -3.360 18389 3892 1 5 . 1 1 48 48 GLY H H 48 7.723 7.723 8.812 -1.089 18389 3893 1 5 . 1 1 49 49 THR N N 49 106.823 106.823 113.297 -6.474 18389 3894 1 5 . 1 1 49 49 THR HA H 49 4.913 4.913 5.004 -0.091 18389 3895 1 5 . 1 1 49 49 THR C C 49 172.529 172.529 175.765 -3.236 18389 3896 1 5 . 1 1 49 49 THR CA C 49 57.385 57.385 60.422 -3.038 18389 3897 1 5 . 1 1 49 49 THR CB C 49 69.609 69.609 70.883 -1.274 18389 3898 1 5 . 1 1 49 49 THR H H 49 8.019 8.019 8.850 -0.831 18389 3899 1 5 . 1 1 51 51 ASP N N 51 118.095 118.095 121.886 -3.791 18389 3900 1 5 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.599 0.405 18389 3901 1 5 . 1 1 51 51 ASP C C 51 172.913 172.913 176.045 -3.132 18389 3902 1 5 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.941 -2.696 18389 3903 1 5 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.176 -2.406 18389 3904 1 5 . 1 1 51 51 ASP H H 51 8.613 8.613 8.393 0.220 18389 3905 1 5 . 1 1 52 52 GLY N N 52 107.075 107.075 104.951 2.124 18389 3906 1 5 . 1 1 52 52 GLY C C 52 169.748 169.748 171.496 -1.748 18389 3907 1 5 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.269 -2.362 18389 3908 1 5 . 1 1 52 52 GLY H H 52 7.651 7.651 7.264 0.387 18389 3909 1 5 . 1 1 53 53 TYR N N 53 112.556 112.556 115.686 -3.130 18389 3910 1 5 . 1 1 53 53 TYR HA H 53 3.621 3.621 5.221 -1.600 18389 3911 1 5 . 1 1 53 53 TYR C C 53 169.219 169.219 173.919 -4.700 18389 3912 1 5 . 1 1 53 53 TYR CA C 53 52.106 52.106 55.394 -3.288 18389 3913 1 5 . 1 1 53 53 TYR CB C 53 39.030 39.030 41.145 -2.115 18389 3914 1 5 . 1 1 53 53 TYR H H 53 6.918 6.918 7.850 -0.932 18389 3915 1 5 . 1 1 54 54 TRP N N 54 112.748 112.748 119.001 -6.253 18389 3916 1 5 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.554 -0.175 18389 3917 1 5 . 1 1 54 54 TRP C C 54 171.085 171.085 174.602 -3.517 18389 3918 1 5 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.257 -2.997 18389 3919 1 5 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.595 -2.620 18389 3920 1 5 . 1 1 54 54 TRP H H 54 6.406 6.406 8.031 -1.625 18389 3921 1 5 . 1 1 55 55 GLY N N 55 108.552 108.552 105.079 3.473 18389 3922 1 5 . 1 1 55 55 GLY C C 55 168.023 168.023 172.798 -4.775 18389 3923 1 5 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.071 -1.623 18389 3924 1 5 . 1 1 55 55 GLY H H 55 8.689 8.689 8.169 0.520 18389 3925 1 5 . 1 1 56 56 THR N N 56 113.376 113.376 116.374 -2.998 18389 3926 1 5 . 1 1 56 56 THR HA H 56 5.868 5.868 5.331 0.537 18389 3927 1 5 . 1 1 56 56 THR C C 56 170.376 170.376 172.960 -2.584 18389 3928 1 5 . 1 1 56 56 THR CA C 56 57.238 57.238 62.590 -5.352 18389 3929 1 5 . 1 1 56 56 THR CB C 56 69.053 69.053 72.433 -3.381 18389 3930 1 5 . 1 1 56 56 THR H H 56 9.518 9.518 8.678 0.840 18389 3931 1 5 . 1 1 57 57 VAL N N 57 123.361 123.361 126.269 -2.908 18389 3932 1 5 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.612 0.841 18389 3933 1 5 . 1 1 57 57 VAL C C 57 169.082 169.082 174.061 -4.979 18389 3934 1 5 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.367 -5.318 18389 3935 1 5 . 1 1 57 57 VAL CB C 57 33.347 33.347 36.081 -2.734 18389 3936 1 5 . 1 1 57 57 VAL H H 57 8.956 8.956 8.919 0.037 18389 3937 1 5 . 1 1 58 58 TYR N N 58 131.224 131.224 127.256 3.968 18389 3938 1 5 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.327 -0.751 18389 3939 1 5 . 1 1 58 58 TYR C C 58 172.050 172.050 173.559 -1.509 18389 3940 1 5 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.085 -4.503 18389 3941 1 5 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.249 -6.288 18389 3942 1 5 . 1 1 58 58 TYR H H 58 8.641 8.641 9.390 -0.749 18389 3943 1 5 . 1 1 59 59 SER N N 59 123.126 123.126 123.122 0.004 18389 3944 1 5 . 1 1 59 59 SER HA H 59 4.304 4.304 4.773 -0.469 18389 3945 1 5 . 1 1 59 59 SER C C 59 170.891 170.891 173.974 -3.083 18389 3946 1 5 . 1 1 59 59 SER CA C 59 55.452 55.452 58.361 -2.909 18389 3947 1 5 . 1 1 59 59 SER CB C 59 60.048 60.048 63.804 -3.756 18389 3948 1 5 . 1 1 59 59 SER H H 59 8.217 8.217 8.958 -0.741 18389 3949 1 5 . 1 1 60 60 LEU N N 60 126.809 126.809 128.755 -1.946 18389 3950 1 5 . 1 1 60 60 LEU HA H 60 4.253 4.253 5.003 -0.750 18389 3951 1 5 . 1 1 60 60 LEU C C 60 173.994 173.994 176.225 -2.231 18389 3952 1 5 . 1 1 60 60 LEU CA C 60 50.050 50.050 52.785 -2.735 18389 3953 1 5 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.346 -2.989 18389 3954 1 5 . 1 1 60 60 LEU H H 60 7.838 7.838 8.152 -0.314 18389 3955 1 5 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.307 0.266 18389 3956 1 5 . 1 1 61 61 PRO C C 61 173.514 173.514 176.835 -3.321 18389 3957 1 5 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.773 -3.521 18389 3958 1 5 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.084 -2.769 18389 3959 1 5 . 1 1 62 62 ASP N N 62 115.943 115.943 117.795 -1.852 18389 3960 1 5 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.762 0.077 18389 3961 1 5 . 1 1 62 62 ASP C C 62 172.949 172.949 175.991 -3.042 18389 3962 1 5 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.599 -2.893 18389 3963 1 5 . 1 1 62 62 ASP CB C 62 40.031 40.031 40.634 -0.603 18389 3964 1 5 . 1 1 62 62 ASP H H 62 7.018 7.018 8.363 -1.345 18389 3965 1 5 . 1 1 63 63 GLY N N 63 112.680 112.680 109.564 3.116 18389 3966 1 5 . 1 1 63 63 GLY C C 63 170.273 170.273 172.499 -2.226 18389 3967 1 5 . 1 1 63 63 GLY CA C 63 43.001 43.001 45.026 -2.025 18389 3968 1 5 . 1 1 63 63 GLY H H 63 8.417 8.417 8.590 -0.173 18389 3969 1 5 . 1 1 64 64 ASP N N 64 115.221 115.221 123.394 -8.173 18389 3970 1 5 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.875 0.418 18389 3971 1 5 . 1 1 64 64 ASP C C 64 174.354 174.354 175.935 -1.581 18389 3972 1 5 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.943 -2.675 18389 3973 1 5 . 1 1 64 64 ASP CB C 64 37.340 37.340 40.979 -3.639 18389 3974 1 5 . 1 1 64 64 ASP H H 64 7.766 7.766 7.790 -0.024 18389 3975 1 5 . 1 1 65 65 TRP N N 65 130.747 130.747 123.780 6.967 18389 3976 1 5 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.732 0.699 18389 3977 1 5 . 1 1 65 65 TRP C C 65 173.930 173.930 177.395 -3.465 18389 3978 1 5 . 1 1 65 65 TRP CA C 65 52.044 52.044 57.044 -5.000 18389 3979 1 5 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.712 -3.105 18389 3980 1 5 . 1 1 65 65 TRP H H 65 9.687 9.687 8.289 1.398 18389 3981 1 5 . 1 1 66 66 SER N N 66 114.151 114.151 115.334 -1.183 18389 3982 1 5 . 1 1 66 66 SER HA H 66 4.041 4.041 3.833 0.208 18389 3983 1 5 . 1 1 66 66 SER CA C 66 59.812 59.812 61.037 -1.225 18389 3984 1 5 . 1 1 66 66 SER CB C 66 60.892 60.892 60.897 -0.005 18389 3985 1 5 . 1 1 66 66 SER H H 66 8.568 8.568 8.258 0.310 18389 3986 1 5 . 1 1 70 70 LYS N N 70 117.090 117.090 117.388 -0.298 18389 3987 1 5 . 1 1 70 70 LYS HA H 70 4.398 4.398 5.071 -0.673 18389 3988 1 5 . 1 1 70 70 LYS C C 70 170.030 170.030 174.579 -4.549 18389 3989 1 5 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.657 -3.798 18389 3990 1 5 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.660 -1.704 18389 3991 1 5 . 1 1 70 70 LYS H H 70 8.308 8.308 7.878 0.430 18389 3992 1 5 . 1 1 71 71 ILE N N 71 118.764 118.764 120.780 -2.016 18389 3993 1 5 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.795 0.419 18389 3994 1 5 . 1 1 71 71 ILE C C 71 169.396 169.396 174.127 -4.731 18389 3995 1 5 . 1 1 71 71 ILE CA C 71 55.333 55.333 58.702 -3.369 18389 3996 1 5 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.660 -2.014 18389 3997 1 5 . 1 1 71 71 ILE H H 71 7.816 7.816 8.712 -0.896 18389 3998 1 5 . 1 1 72 72 SER N N 72 120.952 120.952 116.902 4.050 18389 3999 1 5 . 1 1 72 72 SER HA H 72 5.852 5.852 4.859 0.993 18389 4000 1 5 . 1 1 72 72 SER C C 72 170.208 170.208 172.535 -2.327 18389 4001 1 5 . 1 1 72 72 SER CA C 72 52.457 52.457 56.021 -3.564 18389 4002 1 5 . 1 1 72 72 SER CB C 72 64.125 64.125 64.864 -0.739 18389 4003 1 5 . 1 1 72 72 SER H H 72 9.237 9.237 8.359 0.878 18389 4004 1 5 . 1 1 73 73 PHE N N 73 117.161 117.161 119.888 -2.727 18389 4005 1 5 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.564 -0.193 18389 4006 1 5 . 1 1 73 73 PHE C C 73 170.381 170.381 173.479 -3.098 18389 4007 1 5 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.276 -1.479 18389 4008 1 5 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.396 -2.824 18389 4009 1 5 . 1 1 73 73 PHE H H 73 8.093 8.093 7.675 0.418 18389 4010 1 5 . 1 1 74 74 ASP N N 74 120.210 120.210 121.386 -1.176 18389 4011 1 5 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.534 0.620 18389 4012 1 5 . 1 1 74 74 ASP C C 74 173.653 173.653 174.710 -1.057 18389 4013 1 5 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.515 -2.619 18389 4014 1 5 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.331 -1.844 18389 4015 1 5 . 1 1 74 74 ASP H H 74 8.993 8.993 8.955 0.038 18389 4016 1 5 . 1 1 75 75 ILE N N 75 121.051 121.051 126.041 -4.990 18389 4017 1 5 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.884 1.369 18389 4018 1 5 . 1 1 75 75 ILE C C 75 171.229 171.229 173.119 -1.890 18389 4019 1 5 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.844 -2.323 18389 4020 1 5 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.254 0.267 18389 4021 1 5 . 1 1 75 75 ILE H H 75 9.681 9.681 8.231 1.450 18389 4022 1 5 . 1 1 76 76 LYS N N 76 124.693 124.693 125.680 -0.987 18389 4023 1 5 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.994 -0.163 18389 4024 1 5 . 1 1 76 76 LYS C C 76 172.283 172.283 173.866 -1.583 18389 4025 1 5 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.560 -1.158 18389 4026 1 5 . 1 1 76 76 LYS CB C 76 32.722 32.722 34.724 -2.002 18389 4027 1 5 . 1 1 76 76 LYS H H 76 8.454 8.454 8.463 -0.009 18389 4028 1 5 . 1 1 77 77 SER N N 77 118.916 118.916 114.266 4.650 18389 4029 1 5 . 1 1 77 77 SER HA H 77 4.816 4.816 4.875 -0.059 18389 4030 1 5 . 1 1 77 77 SER C C 77 172.741 172.741 175.816 -3.075 18389 4031 1 5 . 1 1 77 77 SER CA C 77 55.341 55.341 57.548 -2.207 18389 4032 1 5 . 1 1 77 77 SER CB C 77 61.792 61.792 64.307 -2.515 18389 4033 1 5 . 1 1 77 77 SER H H 77 9.236 9.236 8.655 0.581 18389 4034 1 5 . 1 1 78 78 VAL N N 78 120.723 120.723 119.877 0.846 18389 4035 1 5 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.499 -0.165 18389 4036 1 5 . 1 1 78 78 VAL C C 78 172.941 172.941 175.865 -2.924 18389 4037 1 5 . 1 1 78 78 VAL CA C 78 59.795 59.795 62.625 -2.830 18389 4038 1 5 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.435 -3.167 18389 4039 1 5 . 1 1 78 78 VAL H H 78 8.132 8.132 8.708 -0.576 18389 4040 1 5 . 1 1 79 79 ASP N N 79 119.240 119.240 119.924 -0.684 18389 4041 1 5 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.634 0.107 18389 4042 1 5 . 1 1 79 79 ASP C C 79 174.199 174.199 177.226 -3.027 18389 4043 1 5 . 1 1 79 79 ASP CA C 79 51.112 51.112 53.489 -2.377 18389 4044 1 5 . 1 1 79 79 ASP CB C 79 39.073 39.073 41.142 -2.068 18389 4045 1 5 . 1 1 79 79 ASP H H 79 8.190 8.190 7.605 0.585 18389 4046 1 5 . 1 1 80 80 GLY N N 80 108.323 108.323 108.976 -0.653 18389 4047 1 5 . 1 1 80 80 GLY C C 80 171.858 171.858 175.024 -3.166 18389 4048 1 5 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.371 -2.268 18389 4049 1 5 . 1 1 80 80 GLY H H 80 8.275 8.275 7.412 0.863 18389 4050 1 5 . 1 1 81 81 SER N N 81 116.291 116.291 117.405 -1.114 18389 4051 1 5 . 1 1 81 81 SER HA H 81 4.588 4.588 4.471 0.117 18389 4052 1 5 . 1 1 81 81 SER C C 81 171.588 171.588 173.697 -2.109 18389 4053 1 5 . 1 1 81 81 SER CA C 81 55.552 55.552 59.577 -4.025 18389 4054 1 5 . 1 1 81 81 SER CB C 81 61.910 61.910 64.118 -2.208 18389 4055 1 5 . 1 1 81 81 SER H H 81 8.201 8.201 7.636 0.565 18389 4056 1 5 . 1 1 82 82 ALA N N 82 128.019 128.019 127.250 0.769 18389 4057 1 5 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.688 0.274 18389 4058 1 5 . 1 1 82 82 ALA C C 82 173.332 173.332 176.377 -3.045 18389 4059 1 5 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.211 -2.131 18389 4060 1 5 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.120 -2.550 18389 4061 1 5 . 1 1 82 82 ALA H H 82 8.613 8.613 8.207 0.406 18389 4062 1 5 . 1 1 83 83 ASN N N 83 119.651 119.651 117.694 1.957 18389 4063 1 5 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.643 0.419 18389 4064 1 5 . 1 1 83 83 ASN C C 83 170.848 170.848 174.579 -3.731 18389 4065 1 5 . 1 1 83 83 ASN CA C 83 50.760 50.760 51.671 -0.911 18389 4066 1 5 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.235 -0.446 18389 4067 1 5 . 1 1 83 83 ASN H H 83 8.153 8.153 8.038 0.115 18389 4068 1 5 . 1 1 84 84 GLU N N 84 127.150 127.150 120.147 7.003 18389 4069 1 5 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.742 -0.030 18389 4070 1 5 . 1 1 84 84 GLU C C 84 171.647 171.647 176.067 -4.420 18389 4071 1 5 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.999 -1.227 18389 4072 1 5 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.842 -2.141 18389 4073 1 5 . 1 1 84 84 GLU H H 84 8.122 8.122 8.416 -0.294 18389 4074 1 5 . 1 1 85 85 ILE N N 85 117.590 117.590 119.770 -2.180 18389 4075 1 5 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.634 -0.001 18389 4076 1 5 . 1 1 85 85 ILE C C 85 171.902 171.902 173.678 -1.776 18389 4077 1 5 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.035 -1.004 18389 4078 1 5 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.814 -1.562 18389 4079 1 5 . 1 1 85 85 ILE H H 85 8.910 8.910 8.937 -0.027 18389 4080 1 5 . 1 1 86 86 ARG N N 86 116.697 116.697 118.709 -2.012 18389 4081 1 5 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.917 0.479 18389 4082 1 5 . 1 1 86 86 ARG C C 86 171.787 171.787 174.641 -2.854 18389 4083 1 5 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.369 -1.254 18389 4084 1 5 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.778 -1.716 18389 4085 1 5 . 1 1 86 86 ARG H H 86 9.149 9.149 8.685 0.464 18389 4086 1 5 . 1 1 87 87 PHE N N 87 123.607 123.607 121.224 2.383 18389 4087 1 5 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.376 0.112 18389 4088 1 5 . 1 1 87 87 PHE CA C 87 53.817 53.817 57.476 -3.659 18389 4089 1 5 . 1 1 87 87 PHE CB C 87 40.112 40.112 41.577 -1.465 18389 4090 1 5 . 1 1 87 87 PHE H H 87 9.235 9.235 8.893 0.342 18389 4091 1 5 . 1 1 88 88 MET N N 88 129.893 129.893 120.799 9.094 18389 4092 1 5 . 1 1 88 88 MET HA H 88 5.836 5.836 5.704 0.132 18389 4093 1 5 . 1 1 88 88 MET C C 88 170.768 170.768 174.243 -3.475 18389 4094 1 5 . 1 1 88 88 MET CA C 88 51.118 51.118 54.426 -3.308 18389 4095 1 5 . 1 1 88 88 MET CB C 88 37.224 37.224 37.835 -0.611 18389 4096 1 5 . 1 1 88 88 MET H H 88 8.868 8.868 9.430 -0.562 18389 4097 1 5 . 1 1 89 89 ILE N N 89 124.630 124.630 123.258 1.372 18389 4098 1 5 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.206 -0.668 18389 4099 1 5 . 1 1 89 89 ILE C C 89 171.047 171.047 174.400 -3.353 18389 4100 1 5 . 1 1 89 89 ILE CA C 89 57.971 57.971 58.111 -0.140 18389 4101 1 5 . 1 1 89 89 ILE CB C 89 38.920 38.920 40.673 -1.754 18389 4102 1 5 . 1 1 89 89 ILE H H 89 9.258 9.258 9.357 -0.099 18389 4103 1 5 . 1 1 90 90 ALA N N 90 128.743 128.743 129.850 -1.107 18389 4104 1 5 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.172 0.494 18389 4105 1 5 . 1 1 90 90 ALA C C 90 176.041 176.041 176.620 -0.579 18389 4106 1 5 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.680 -2.859 18389 4107 1 5 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.250 -2.919 18389 4108 1 5 . 1 1 90 90 ALA H H 90 8.749 8.749 9.253 -0.504 18389 4109 1 5 . 1 1 91 91 GLU N N 91 121.616 121.616 124.928 -3.312 18389 4110 1 5 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.499 0.219 18389 4111 1 5 . 1 1 91 91 GLU C C 91 174.217 174.217 176.443 -2.226 18389 4112 1 5 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.024 -1.881 18389 4113 1 5 . 1 1 91 91 GLU CB C 91 29.847 29.847 32.418 -2.571 18389 4114 1 5 . 1 1 91 91 GLU H H 91 8.749 8.749 8.919 -0.170 18389 4115 1 5 . 1 1 92 92 LYS N N 92 117.975 117.975 121.295 -3.320 18389 4116 1 5 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.571 -0.202 18389 4117 1 5 . 1 1 92 92 LYS C C 92 174.743 174.743 178.206 -3.463 18389 4118 1 5 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.097 -1.737 18389 4119 1 5 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.294 -2.638 18389 4120 1 5 . 1 1 92 92 LYS H H 92 8.014 8.014 7.921 0.093 18389 4121 1 5 . 1 1 93 93 SER N N 93 115.092 115.092 117.157 -2.065 18389 4122 1 5 . 1 1 93 93 SER HA H 93 4.215 4.215 4.472 -0.257 18389 4123 1 5 . 1 1 93 93 SER C C 93 174.964 174.964 176.607 -1.643 18389 4124 1 5 . 1 1 93 93 SER CA C 93 53.874 53.874 58.418 -4.544 18389 4125 1 5 . 1 1 93 93 SER CB C 93 61.736 61.736 64.070 -2.334 18389 4126 1 5 . 1 1 93 93 SER H H 93 8.083 8.083 8.099 -0.016 18389 4127 1 5 . 1 1 94 94 ILE N N 94 121.880 121.880 114.608 7.272 18389 4128 1 5 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.175 0.211 18389 4129 1 5 . 1 1 94 94 ILE C C 94 174.020 174.020 175.769 -1.749 18389 4130 1 5 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.043 -1.698 18389 4131 1 5 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.031 -1.030 18389 4132 1 5 . 1 1 94 94 ILE H H 94 9.150 9.150 8.351 0.799 18389 4133 1 5 . 1 1 95 95 ASN N N 95 117.349 117.349 119.413 -2.064 18389 4134 1 5 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.768 0.287 18389 4135 1 5 . 1 1 95 95 ASN C C 95 173.659 173.659 176.117 -2.458 18389 4136 1 5 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.135 -3.748 18389 4137 1 5 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.049 -2.383 18389 4138 1 5 . 1 1 95 95 ASN H H 95 8.163 8.163 7.752 0.411 18389 4139 1 5 . 1 1 96 96 GLY N N 96 106.957 106.957 109.017 -2.060 18389 4140 1 5 . 1 1 96 96 GLY C C 96 170.704 170.704 173.399 -2.695 18389 4141 1 5 . 1 1 96 96 GLY CA C 96 43.319 43.319 46.145 -2.826 18389 4142 1 5 . 1 1 96 96 GLY H H 96 7.530 7.530 7.842 -0.312 18389 4143 1 5 . 1 1 97 97 VAL N N 97 119.393 119.393 120.491 -1.098 18389 4144 1 5 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.327 0.027 18389 4145 1 5 . 1 1 97 97 VAL C C 97 173.622 173.622 175.658 -2.036 18389 4146 1 5 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.983 -2.841 18389 4147 1 5 . 1 1 97 97 VAL CB C 97 30.771 30.771 34.784 -4.013 18389 4148 1 5 . 1 1 97 97 VAL H H 97 7.650 7.650 7.491 0.159 18389 4149 1 5 . 1 1 98 98 GLY N N 98 115.075 115.075 115.741 -0.666 18389 4150 1 5 . 1 1 98 98 GLY C C 98 170.065 170.065 173.122 -3.057 18389 4151 1 5 . 1 1 98 98 GLY CA C 98 42.739 42.739 44.406 -1.667 18389 4152 1 5 . 1 1 98 98 GLY H H 98 8.712 8.712 8.610 0.102 18389 4153 1 5 . 1 1 99 99 ASP N N 99 119.064 119.064 120.829 -1.765 18389 4154 1 5 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.612 0.063 18389 4155 1 5 . 1 1 99 99 ASP C C 99 172.502 172.502 176.136 -3.634 18389 4156 1 5 . 1 1 99 99 ASP CA C 99 50.581 50.581 54.975 -4.394 18389 4157 1 5 . 1 1 99 99 ASP CB C 99 39.195 39.195 41.338 -2.143 18389 4158 1 5 . 1 1 99 99 ASP H H 99 8.746 8.746 8.487 0.259 18389 4159 1 5 . 1 1 100 100 GLY N N 100 109.333 109.333 107.016 2.317 18389 4160 1 5 . 1 1 100 100 GLY C C 100 167.638 167.638 173.002 -5.364 18389 4161 1 5 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.601 -5.492 18389 4162 1 5 . 1 1 100 100 GLY H H 100 8.285 8.285 8.565 -0.280 18389 4163 1 5 . 1 1 101 101 GLU N N 101 120.835 120.835 121.120 -0.285 18389 4164 1 5 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.943 -0.216 18389 4165 1 5 . 1 1 101 101 GLU C C 101 173.652 173.652 173.778 -0.126 18389 4166 1 5 . 1 1 101 101 GLU CA C 101 55.449 55.449 55.515 -0.066 18389 4167 1 5 . 1 1 101 101 GLU CB C 101 31.014 31.014 32.997 -1.983 18389 4168 1 5 . 1 1 101 101 GLU H H 101 8.339 8.339 7.432 0.907 18389 4169 1 5 . 1 1 102 102 HIS N N 102 126.597 126.597 123.189 3.408 18389 4170 1 5 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.452 -0.046 18389 4171 1 5 . 1 1 102 102 HIS C C 102 174.479 174.479 174.097 0.382 18389 4172 1 5 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.888 -1.976 18389 4173 1 5 . 1 1 102 102 HIS CB C 102 33.756 33.756 32.686 1.070 18389 4174 1 5 . 1 1 102 102 HIS H H 102 10.029 10.029 8.174 1.855 18389 4175 1 5 . 1 1 103 103 TRP N N 103 125.616 125.616 122.530 3.086 18389 4176 1 5 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.426 -0.395 18389 4177 1 5 . 1 1 103 103 TRP C C 103 173.236 173.236 174.882 -1.646 18389 4178 1 5 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.604 -1.771 18389 4179 1 5 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.940 -3.750 18389 4180 1 5 . 1 1 103 103 TRP H H 103 9.242 9.242 9.297 -0.056 18389 4181 1 5 . 1 1 104 104 VAL N N 104 114.086 114.086 117.070 -2.984 18389 4182 1 5 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.404 0.729 18389 4183 1 5 . 1 1 104 104 VAL C C 104 173.194 173.194 174.797 -1.603 18389 4184 1 5 . 1 1 104 104 VAL CA C 104 57.329 57.329 58.979 -1.650 18389 4185 1 5 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.542 -0.099 18389 4186 1 5 . 1 1 104 104 VAL H H 104 10.273 10.273 9.277 0.996 18389 4187 1 5 . 1 1 105 105 TYR N N 105 123.278 123.278 121.688 1.590 18389 4188 1 5 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.791 -0.131 18389 4189 1 5 . 1 1 105 105 TYR C C 105 172.030 172.030 176.152 -4.122 18389 4190 1 5 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.837 -0.115 18389 4191 1 5 . 1 1 105 105 TYR CB C 105 40.973 40.973 39.606 1.367 18389 4192 1 5 . 1 1 105 105 TYR H H 105 9.219 9.219 8.155 1.064 18389 4193 1 5 . 1 1 106 106 SER N N 106 123.619 123.619 114.820 8.799 18389 4194 1 5 . 1 1 106 106 SER HA H 106 5.226 5.226 5.136 0.090 18389 4195 1 5 . 1 1 106 106 SER C C 106 170.291 170.291 173.091 -2.800 18389 4196 1 5 . 1 1 106 106 SER CA C 106 56.800 56.800 57.483 -0.683 18389 4197 1 5 . 1 1 106 106 SER CB C 106 61.265 61.265 65.429 -4.164 18389 4198 1 5 . 1 1 106 106 SER H H 106 7.768 7.768 8.338 -0.570 18389 4199 1 5 . 1 1 107 107 ILE N N 107 120.192 120.192 124.875 -4.683 18389 4200 1 5 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.693 0.066 18389 4201 1 5 . 1 1 107 107 ILE C C 107 171.471 171.471 173.410 -1.939 18389 4202 1 5 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.693 -3.682 18389 4203 1 5 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.858 -2.099 18389 4204 1 5 . 1 1 107 107 ILE H H 107 8.942 8.942 9.180 -0.238 18389 4205 1 5 . 1 1 108 108 THR N N 108 118.723 118.723 118.445 0.278 18389 4206 1 5 . 1 1 108 108 THR HA H 108 5.017 5.017 5.051 -0.034 18389 4207 1 5 . 1 1 108 108 THR C C 108 170.359 170.359 172.706 -2.347 18389 4208 1 5 . 1 1 108 108 THR CA C 108 56.686 56.686 58.680 -1.994 18389 4209 1 5 . 1 1 108 108 THR CB C 108 67.488 67.488 70.148 -2.660 18389 4210 1 5 . 1 1 108 108 THR H H 108 8.718 8.718 8.376 0.342 18389 4211 1 5 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.739 -0.329 18389 4212 1 5 . 1 1 109 109 PRO C C 109 171.443 171.443 175.796 -4.353 18389 4213 1 5 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.469 -2.645 18389 4214 1 5 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.444 -3.466 18389 4215 1 5 . 1 1 110 110 ASP N N 110 122.785 122.785 118.982 3.803 18389 4216 1 5 . 1 1 110 110 ASP HA H 110 5.148 5.148 5.014 0.134 18389 4217 1 5 . 1 1 110 110 ASP C C 110 174.113 174.113 176.568 -2.455 18389 4218 1 5 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.335 -3.279 18389 4219 1 5 . 1 1 110 110 ASP CB C 110 40.689 40.689 44.627 -3.938 18389 4220 1 5 . 1 1 110 110 ASP H H 110 9.061 9.061 8.494 0.567 18389 4221 1 5 . 1 1 111 111 SER N N 111 112.595 112.595 112.439 0.156 18389 4222 1 5 . 1 1 111 111 SER HA H 111 4.432 4.432 4.630 -0.198 18389 4223 1 5 . 1 1 111 111 SER CA C 111 58.333 58.333 58.911 -0.578 18389 4224 1 5 . 1 1 111 111 SER CB C 111 61.046 61.046 63.833 -2.787 18389 4225 1 5 . 1 1 111 111 SER H H 111 8.435 8.435 8.508 -0.073 18389 4226 1 5 . 1 1 112 112 SER N N 112 116.615 116.615 115.624 0.991 18389 4227 1 5 . 1 1 112 112 SER HA H 112 4.862 4.862 4.709 0.153 18389 4228 1 5 . 1 1 112 112 SER C C 112 170.519 170.519 173.562 -3.043 18389 4229 1 5 . 1 1 112 112 SER CA C 112 54.017 54.017 56.670 -2.653 18389 4230 1 5 . 1 1 112 112 SER CB C 112 62.948 62.948 65.585 -2.637 18389 4231 1 5 . 1 1 112 112 SER H H 112 8.035 8.035 7.492 0.543 18389 4232 1 5 . 1 1 113 113 TRP N N 113 120.576 120.576 123.799 -3.223 18389 4233 1 5 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.659 -0.105 18389 4234 1 5 . 1 1 113 113 TRP C C 113 174.599 174.599 175.399 -0.800 18389 4235 1 5 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.289 -0.407 18389 4236 1 5 . 1 1 113 113 TRP CB C 113 27.360 27.360 30.025 -2.665 18389 4237 1 5 . 1 1 113 113 TRP H H 113 8.318 8.318 8.472 -0.154 18389 4238 1 5 . 1 1 114 114 LYS N N 114 123.372 123.372 127.271 -3.899 18389 4239 1 5 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.549 0.345 18389 4240 1 5 . 1 1 114 114 LYS C C 114 172.772 172.772 174.823 -2.051 18389 4241 1 5 . 1 1 114 114 LYS CA C 114 52.948 52.948 56.050 -3.102 18389 4242 1 5 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.382 -1.132 18389 4243 1 5 . 1 1 114 114 LYS H H 114 8.782 8.782 8.768 0.014 18389 4244 1 5 . 1 1 115 115 THR N N 115 120.929 120.929 121.793 -0.864 18389 4245 1 5 . 1 1 115 115 THR HA H 115 5.226 5.226 4.640 0.586 18389 4246 1 5 . 1 1 115 115 THR C C 115 171.778 171.778 174.859 -3.081 18389 4247 1 5 . 1 1 115 115 THR CA C 115 59.671 59.671 63.214 -3.543 18389 4248 1 5 . 1 1 115 115 THR CB C 115 66.938 66.938 69.122 -2.184 18389 4249 1 5 . 1 1 115 115 THR H H 115 8.689 8.689 8.390 0.299 18389 4250 1 5 . 1 1 116 116 ILE N N 116 131.929 131.929 128.802 3.127 18389 4251 1 5 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.239 -0.055 18389 4252 1 5 . 1 1 116 116 ILE C C 116 171.012 171.012 174.620 -3.608 18389 4253 1 5 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.157 -3.800 18389 4254 1 5 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.742 -3.411 18389 4255 1 5 . 1 1 116 116 ILE H H 116 9.470 9.470 9.135 0.335 18389 4256 1 5 . 1 1 117 117 GLU N N 117 124.514 124.514 127.415 -2.901 18389 4257 1 5 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.451 0.419 18389 4258 1 5 . 1 1 117 117 GLU C C 117 173.332 173.332 175.716 -2.384 18389 4259 1 5 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.480 -4.682 18389 4260 1 5 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.977 -0.284 18389 4261 1 5 . 1 1 117 117 GLU H H 117 8.089 8.089 8.547 -0.458 18389 4262 1 5 . 1 1 118 118 ILE N N 118 125.005 125.005 125.464 -0.459 18389 4263 1 5 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.412 0.011 18389 4264 1 5 . 1 1 118 118 ILE C C 118 171.765 171.765 173.171 -1.406 18389 4265 1 5 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.102 -2.462 18389 4266 1 5 . 1 1 118 118 ILE CB C 118 37.429 37.429 40.217 -2.788 18389 4267 1 5 . 1 1 118 118 ILE H H 118 9.322 9.322 8.503 0.819 18389 4268 1 5 . 1 1 119 119 PRO HA H 119 4.837 4.837 5.313 -0.476 18389 4269 1 5 . 1 1 119 119 PRO C C 119 176.780 176.780 178.589 -1.809 18389 4270 1 5 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.551 -2.147 18389 4271 1 5 . 1 1 119 119 PRO CB C 119 29.065 29.065 33.137 -4.072 18389 4272 1 5 . 1 1 120 120 PHE N N 120 124.627 124.627 118.770 5.857 18389 4273 1 5 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.441 0.553 18389 4274 1 5 . 1 1 120 120 PHE C C 120 175.402 175.402 177.170 -1.768 18389 4275 1 5 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.329 -1.057 18389 4276 1 5 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.972 -2.727 18389 4277 1 5 . 1 1 120 120 PHE H H 120 8.160 8.160 9.168 -1.008 18389 4278 1 5 . 1 1 121 121 SER N N 121 110.551 110.551 115.765 -5.214 18389 4279 1 5 . 1 1 121 121 SER HA H 121 4.647 4.647 3.903 0.744 18389 4280 1 5 . 1 1 121 121 SER C C 121 173.187 173.187 175.432 -2.245 18389 4281 1 5 . 1 1 121 121 SER CA C 121 57.359 57.359 60.119 -2.760 18389 4282 1 5 . 1 1 121 121 SER CB C 121 60.639 60.639 62.548 -1.909 18389 4283 1 5 . 1 1 121 121 SER H H 121 8.367 8.367 8.228 0.139 18389 4284 1 5 . 1 1 122 122 SER N N 122 117.166 117.166 116.833 0.333 18389 4285 1 5 . 1 1 122 122 SER HA H 122 4.946 4.946 4.447 0.499 18389 4286 1 5 . 1 1 122 122 SER C C 122 172.296 172.296 173.306 -1.010 18389 4287 1 5 . 1 1 122 122 SER CA C 122 57.525 57.525 59.764 -2.239 18389 4288 1 5 . 1 1 122 122 SER CB C 122 61.716 61.716 63.711 -1.995 18389 4289 1 5 . 1 1 122 122 SER H H 122 8.537 8.537 7.748 0.789 18389 4290 1 5 . 1 1 123 123 PHE N N 123 119.840 119.840 120.798 -0.958 18389 4291 1 5 . 1 1 123 123 PHE HA H 123 4.647 4.647 5.303 -0.656 18389 4292 1 5 . 1 1 123 123 PHE C C 123 173.527 173.527 175.989 -2.462 18389 4293 1 5 . 1 1 123 123 PHE CA C 123 58.778 58.778 58.098 0.680 18389 4294 1 5 . 1 1 123 123 PHE CB C 123 38.547 38.547 41.088 -2.541 18389 4295 1 5 . 1 1 123 123 PHE H H 123 7.807 7.807 7.461 0.346 18389 4296 1 5 . 1 1 124 124 ARG N N 124 120.098 120.098 121.853 -1.755 18389 4297 1 5 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.077 0.264 18389 4298 1 5 . 1 1 124 124 ARG C C 124 172.631 172.631 174.510 -1.879 18389 4299 1 5 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.872 -3.547 18389 4300 1 5 . 1 1 124 124 ARG CB C 124 30.721 30.721 34.748 -4.027 18389 4301 1 5 . 1 1 124 124 ARG H H 124 9.297 9.297 8.977 0.320 18389 4302 1 5 . 1 1 125 125 ARG N N 125 126.739 126.739 123.133 3.606 18389 4303 1 5 . 1 1 125 125 ARG HA H 125 2.962 2.962 5.071 -2.109 18389 4304 1 5 . 1 1 125 125 ARG C C 125 174.319 174.319 176.160 -1.841 18389 4305 1 5 . 1 1 125 125 ARG CA C 125 55.036 55.036 54.515 0.521 18389 4306 1 5 . 1 1 125 125 ARG CB C 125 27.348 27.348 31.459 -4.112 18389 4307 1 5 . 1 1 125 125 ARG H H 125 8.611 8.611 8.514 0.097 18389 4308 1 5 . 1 1 126 126 ARG N N 126 126.556 126.556 122.478 4.078 18389 4309 1 5 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.372 -0.408 18389 4310 1 5 . 1 1 126 126 ARG C C 126 174.021 174.021 174.957 -0.936 18389 4311 1 5 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.535 0.002 18389 4312 1 5 . 1 1 126 126 ARG CB C 126 29.739 29.739 31.646 -1.907 18389 4313 1 5 . 1 1 126 126 ARG H H 126 7.917 7.917 8.269 -0.352 18389 4314 1 5 . 1 1 127 127 LEU N N 127 124.550 124.550 115.742 8.808 18389 4315 1 5 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.757 -0.103 18389 4316 1 5 . 1 1 127 127 LEU C C 127 175.775 175.775 176.505 -0.730 18389 4317 1 5 . 1 1 127 127 LEU CA C 127 53.208 53.208 54.957 -1.749 18389 4318 1 5 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.945 -1.567 18389 4319 1 5 . 1 1 127 127 LEU H H 127 8.817 8.817 8.464 0.353 18389 4320 1 5 . 1 1 128 128 ASP N N 128 116.209 116.209 119.340 -3.131 18389 4321 1 5 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.547 0.002 18389 4322 1 5 . 1 1 128 128 ASP C C 128 172.491 172.491 176.121 -3.630 18389 4323 1 5 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.848 -3.356 18389 4324 1 5 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.235 -4.653 18389 4325 1 5 . 1 1 128 128 ASP H H 128 9.072 9.072 8.476 0.596 18389 4326 1 5 . 1 1 129 129 TYR N N 129 119.329 119.329 120.149 -0.820 18389 4327 1 5 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.619 -0.266 18389 4328 1 5 . 1 1 129 129 TYR C C 129 169.992 169.992 173.841 -3.849 18389 4329 1 5 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.771 -1.426 18389 4330 1 5 . 1 1 129 129 TYR CB C 129 38.447 38.447 39.644 -1.197 18389 4331 1 5 . 1 1 129 129 TYR H H 129 7.002 7.002 7.567 -0.565 18389 4332 1 5 . 1 1 130 130 GLN N N 130 121.469 121.469 125.554 -4.085 18389 4333 1 5 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.397 -0.488 18389 4334 1 5 . 1 1 130 130 GLN C C 130 170.223 170.223 173.127 -2.904 18389 4335 1 5 . 1 1 130 130 GLN CA C 130 49.789 49.789 53.397 -3.608 18389 4336 1 5 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.992 -2.367 18389 4337 1 5 . 1 1 130 130 GLN H H 130 6.288 6.288 7.989 -1.700 18389 4338 1 5 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.334 0.076 18389 4339 1 5 . 1 1 132 132 PRO C C 132 175.720 175.720 177.235 -1.515 18389 4340 1 5 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.064 -1.992 18389 4341 1 5 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.864 -2.749 18389 4342 1 5 . 1 1 133 133 GLY N N 133 104.558 104.558 108.634 -4.076 18389 4343 1 5 . 1 1 133 133 GLY C C 133 171.229 171.229 173.887 -2.658 18389 4344 1 5 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.600 -1.085 18389 4345 1 5 . 1 1 133 133 GLY H H 133 8.298 8.298 8.437 -0.139 18389 4346 1 5 . 1 1 134 134 GLN N N 134 116.684 116.684 120.608 -3.924 18389 4347 1 5 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.276 0.091 18389 4348 1 5 . 1 1 134 134 GLN C C 134 172.815 172.815 175.154 -2.339 18389 4349 1 5 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.006 -1.202 18389 4350 1 5 . 1 1 134 134 GLN CB C 134 24.866 24.866 28.951 -4.085 18389 4351 1 5 . 1 1 134 134 GLN H H 134 7.273 7.273 7.519 -0.246 18389 4352 1 5 . 1 1 135 135 ASP N N 135 118.688 118.688 122.775 -4.087 18389 4353 1 5 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.578 -0.216 18389 4354 1 5 . 1 1 135 135 ASP C C 135 174.301 174.301 175.139 -0.838 18389 4355 1 5 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.179 -2.369 18389 4356 1 5 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.167 -4.263 18389 4357 1 5 . 1 1 135 135 ASP H H 135 8.844 8.844 8.247 0.597 18389 4358 1 5 . 1 1 136 136 MET N N 136 114.721 114.721 125.797 -11.076 18389 4359 1 5 . 1 1 136 136 MET HA H 136 4.035 4.035 4.707 -0.672 18389 4360 1 5 . 1 1 136 136 MET C C 136 174.252 174.252 176.471 -2.219 18389 4361 1 5 . 1 1 136 136 MET CA C 136 54.461 54.461 53.223 1.238 18389 4362 1 5 . 1 1 136 136 MET CB C 136 29.439 29.439 32.517 -3.078 18389 4363 1 5 . 1 1 136 136 MET H H 136 7.585 7.585 8.688 -1.103 18389 4364 1 5 . 1 1 137 137 SER N N 137 118.130 118.130 114.924 3.206 18389 4365 1 5 . 1 1 137 137 SER HA H 137 4.392 4.392 4.483 -0.091 18389 4366 1 5 . 1 1 137 137 SER C C 137 174.811 174.811 176.049 -1.238 18389 4367 1 5 . 1 1 137 137 SER CA C 137 57.841 57.841 59.087 -1.246 18389 4368 1 5 . 1 1 137 137 SER CB C 137 62.369 62.369 63.779 -1.410 18389 4369 1 5 . 1 1 137 137 SER H H 137 9.140 9.140 8.285 0.855 18389 4370 1 5 . 1 1 138 138 GLY N N 138 114.534 114.534 111.768 2.766 18389 4371 1 5 . 1 1 138 138 GLY C C 138 170.903 170.903 173.757 -2.854 18389 4372 1 5 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.692 -1.495 18389 4373 1 5 . 1 1 138 138 GLY H H 138 10.549 10.549 8.701 1.848 18389 4374 1 5 . 1 1 139 139 THR N N 139 112.564 112.564 113.867 -1.303 18389 4375 1 5 . 1 1 139 139 THR HA H 139 4.538 4.538 4.596 -0.058 18389 4376 1 5 . 1 1 139 139 THR C C 139 168.086 168.086 172.469 -4.383 18389 4377 1 5 . 1 1 139 139 THR CA C 139 57.132 57.132 59.779 -2.647 18389 4378 1 5 . 1 1 139 139 THR CB C 139 68.854 68.854 70.920 -2.066 18389 4379 1 5 . 1 1 139 139 THR H H 139 8.504 8.504 7.599 0.905 18389 4380 1 5 . 1 1 140 140 LEU N N 140 129.971 129.971 126.505 3.466 18389 4381 1 5 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.176 -0.405 18389 4382 1 5 . 1 1 140 140 LEU C C 140 172.175 172.175 175.220 -3.045 18389 4383 1 5 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.988 -2.653 18389 4384 1 5 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.384 -5.512 18389 4385 1 5 . 1 1 140 140 LEU H H 140 7.900 7.900 7.760 0.140 18389 4386 1 5 . 1 1 141 141 ASP N N 141 132.200 132.200 126.152 6.048 18389 4387 1 5 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.756 -0.052 18389 4388 1 5 . 1 1 141 141 ASP C C 141 172.137 172.137 175.849 -3.712 18389 4389 1 5 . 1 1 141 141 ASP CA C 141 51.692 51.692 52.978 -1.286 18389 4390 1 5 . 1 1 141 141 ASP CB C 141 38.561 38.561 42.273 -3.712 18389 4391 1 5 . 1 1 141 141 ASP H H 141 9.101 9.101 9.058 0.043 18389 4392 1 5 . 1 1 142 142 LEU N N 142 122.667 122.667 122.144 0.523 18389 4393 1 5 . 1 1 142 142 LEU HA H 142 3.740 3.740 4.122 -0.382 18389 4394 1 5 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.213 -2.466 18389 4395 1 5 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.930 -2.032 18389 4396 1 5 . 1 1 142 142 LEU H H 142 7.799 7.799 8.602 -0.803 18389 4397 1 5 . 1 1 143 143 ASP N N 143 112.789 112.789 115.439 -2.650 18389 4398 1 5 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.523 0.393 18389 4399 1 5 . 1 1 143 143 ASP C C 143 173.547 173.547 175.893 -2.346 18389 4400 1 5 . 1 1 143 143 ASP CA C 143 51.101 51.101 54.334 -3.233 18389 4401 1 5 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.847 -3.549 18389 4402 1 5 . 1 1 143 143 ASP H H 143 8.473 8.473 8.267 0.206 18389 4403 1 5 . 1 1 144 144 ASN N N 144 120.743 120.743 118.197 2.546 18389 4404 1 5 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.839 0.240 18389 4405 1 5 . 1 1 144 144 ASN C C 144 171.278 171.278 173.304 -2.026 18389 4406 1 5 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.708 -3.234 18389 4407 1 5 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.349 -2.170 18389 4408 1 5 . 1 1 144 144 ASN H H 144 7.867 7.867 7.405 0.462 18389 4409 1 5 . 1 1 145 145 ILE N N 145 122.844 122.844 124.607 -1.763 18389 4410 1 5 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.335 -0.495 18389 4411 1 5 . 1 1 145 145 ILE C C 145 172.420 172.420 174.503 -2.083 18389 4412 1 5 . 1 1 145 145 ILE CA C 145 57.861 57.861 58.696 -0.835 18389 4413 1 5 . 1 1 145 145 ILE CB C 145 33.407 33.407 40.323 -6.916 18389 4414 1 5 . 1 1 145 145 ILE H H 145 8.770 8.770 8.581 0.190 18389 4415 1 5 . 1 1 146 146 ASP N N 146 125.428 125.428 126.368 -0.940 18389 4416 1 5 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.652 0.001 18389 4417 1 5 . 1 1 146 146 ASP C C 146 172.931 172.931 175.930 -2.999 18389 4418 1 5 . 1 1 146 146 ASP CA C 146 53.352 53.352 56.162 -2.810 18389 4419 1 5 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.211 0.701 18389 4420 1 5 . 1 1 146 146 ASP H H 146 9.355 9.355 9.067 0.288 18389 4421 1 5 . 1 1 147 147 SER N N 147 108.442 108.442 112.120 -3.678 18389 4422 1 5 . 1 1 147 147 SER HA H 147 5.054 5.054 5.357 -0.303 18389 4423 1 5 . 1 1 147 147 SER C C 147 169.957 169.957 173.134 -3.177 18389 4424 1 5 . 1 1 147 147 SER CA C 147 54.584 54.584 57.851 -3.267 18389 4425 1 5 . 1 1 147 147 SER CB C 147 62.518 62.518 67.314 -4.796 18389 4426 1 5 . 1 1 147 147 SER H H 147 7.927 7.927 7.858 0.069 18389 4427 1 5 . 1 1 148 148 ILE N N 148 110.150 110.150 120.217 -10.067 18389 4428 1 5 . 1 1 148 148 ILE HA H 148 5.649 5.649 4.865 0.784 18389 4429 1 5 . 1 1 148 148 ILE C C 148 171.932 171.932 175.422 -3.490 18389 4430 1 5 . 1 1 148 148 ILE CA C 148 56.622 56.622 60.883 -4.261 18389 4431 1 5 . 1 1 148 148 ILE CB C 148 38.713 38.713 38.934 -0.221 18389 4432 1 5 . 1 1 148 148 ILE H H 148 8.043 8.043 8.986 -0.943 18389 4433 1 5 . 1 1 149 149 HIS N N 149 118.612 118.612 122.982 -4.370 18389 4434 1 5 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.309 1.181 18389 4435 1 5 . 1 1 149 149 HIS C C 149 174.287 174.287 173.602 0.685 18389 4436 1 5 . 1 1 149 149 HIS CA C 149 51.902 51.902 55.279 -3.377 18389 4437 1 5 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.654 -0.695 18389 4438 1 5 . 1 1 149 149 HIS H H 149 9.331 9.331 9.302 0.029 18389 4439 1 5 . 1 1 150 150 PHE N N 150 117.037 117.037 124.650 -7.613 18389 4440 1 5 . 1 1 150 150 PHE HA H 150 5.530 5.530 5.097 0.433 18389 4441 1 5 . 1 1 150 150 PHE C C 150 172.808 172.808 172.870 -0.062 18389 4442 1 5 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.132 0.371 18389 4443 1 5 . 1 1 150 150 PHE CB C 150 39.280 39.280 42.692 -3.412 18389 4444 1 5 . 1 1 150 150 PHE H H 150 8.788 8.788 9.224 -0.436 18389 4445 1 5 . 1 1 151 151 MET N N 151 119.781 119.781 122.892 -3.111 18389 4446 1 5 . 1 1 151 151 MET HA H 151 4.664 4.664 3.911 0.753 18389 4447 1 5 . 1 1 151 151 MET C C 151 170.282 170.282 173.620 -3.338 18389 4448 1 5 . 1 1 151 151 MET CA C 151 52.146 52.146 53.907 -1.761 18389 4449 1 5 . 1 1 151 151 MET CB C 151 34.947 34.947 37.591 -2.644 18389 4450 1 5 . 1 1 151 151 MET H H 151 9.761 9.761 8.530 1.231 18389 4451 1 5 . 1 1 152 152 TYR N N 152 117.149 117.149 120.558 -3.409 18389 4452 1 5 . 1 1 152 152 TYR HA H 152 4.076 4.076 3.957 0.119 18389 4453 1 5 . 1 1 152 152 TYR C C 152 171.554 171.554 175.705 -4.151 18389 4454 1 5 . 1 1 152 152 TYR CA C 152 55.345 55.345 58.121 -2.776 18389 4455 1 5 . 1 1 152 152 TYR CB C 152 36.904 36.904 38.604 -1.700 18389 4456 1 5 . 1 1 152 152 TYR H H 152 6.275 6.275 6.944 -0.669 18389 4457 1 5 . 1 1 153 153 ALA N N 153 121.523 121.523 122.579 -1.056 18389 4458 1 5 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.034 0.129 18389 4459 1 5 . 1 1 153 153 ALA C C 153 173.777 173.777 175.361 -1.584 18389 4460 1 5 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.833 -2.648 18389 4461 1 5 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.907 0.058 18389 4462 1 5 . 1 1 153 153 ALA H H 153 10.019 10.019 8.235 1.784 18389 4463 1 5 . 1 1 154 154 ASN N N 154 114.643 114.643 116.078 -1.435 18389 4464 1 5 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.655 0.529 18389 4465 1 5 . 1 1 154 154 ASN C C 154 173.267 173.267 173.722 -0.455 18389 4466 1 5 . 1 1 154 154 ASN CA C 154 49.915 49.915 51.819 -1.904 18389 4467 1 5 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.176 -3.463 18389 4468 1 5 . 1 1 154 154 ASN H H 154 8.141 8.141 7.384 0.757 18389 4469 1 5 . 1 1 156 156 LYS N N 156 119.099 119.099 120.001 -0.902 18389 4470 1 5 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.956 -0.218 18389 4471 1 5 . 1 1 156 156 LYS C C 156 173.965 173.965 175.085 -1.120 18389 4472 1 5 . 1 1 156 156 LYS CA C 156 53.872 53.872 55.462 -1.590 18389 4473 1 5 . 1 1 156 156 LYS CB C 156 30.426 30.426 37.099 -6.673 18389 4474 1 5 . 1 1 156 156 LYS H H 156 8.298 8.298 8.030 0.268 18389 4475 1 5 . 1 1 157 157 SER N N 157 115.584 115.584 115.389 0.195 18389 4476 1 5 . 1 1 157 157 SER HA H 157 5.055 5.055 5.555 -0.500 18389 4477 1 5 . 1 1 157 157 SER C C 157 169.925 169.925 174.617 -4.692 18389 4478 1 5 . 1 1 157 157 SER CA C 157 55.617 55.617 58.044 -2.427 18389 4479 1 5 . 1 1 157 157 SER CB C 157 63.180 63.180 64.657 -1.477 18389 4480 1 5 . 1 1 157 157 SER H H 157 8.240 8.240 8.504 -0.264 18389 4481 1 5 . 1 1 158 158 GLY N N 158 108.219 108.219 108.216 0.003 18389 4482 1 5 . 1 1 158 158 GLY C C 158 168.322 168.322 171.818 -3.496 18389 4483 1 5 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.513 -1.948 18389 4484 1 5 . 1 1 158 158 GLY H H 158 6.942 6.942 8.850 -1.908 18389 4485 1 5 . 1 1 159 159 LYS N N 159 116.608 116.608 119.528 -2.920 18389 4486 1 5 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.434 0.087 18389 4487 1 5 . 1 1 159 159 LYS C C 159 172.966 172.966 175.035 -2.069 18389 4488 1 5 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.821 -1.679 18389 4489 1 5 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.190 -1.485 18389 4490 1 5 . 1 1 159 159 LYS H H 159 7.925 7.925 7.996 -0.071 18389 4491 1 5 . 1 1 160 160 PHE N N 160 121.804 121.804 119.925 1.879 18389 4492 1 5 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.059 0.466 18389 4493 1 5 . 1 1 160 160 PHE C C 160 168.125 168.125 173.806 -5.681 18389 4494 1 5 . 1 1 160 160 PHE CA C 160 53.315 53.315 57.116 -3.801 18389 4495 1 5 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.973 -4.922 18389 4496 1 5 . 1 1 160 160 PHE H H 160 8.834 8.834 9.091 -0.257 18389 4497 1 5 . 1 1 161 161 VAL N N 161 119.787 119.787 114.431 5.356 18389 4498 1 5 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.356 0.022 18389 4499 1 5 . 1 1 161 161 VAL C C 161 170.736 170.736 174.103 -3.367 18389 4500 1 5 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.817 -3.161 18389 4501 1 5 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.170 -3.233 18389 4502 1 5 . 1 1 161 161 VAL H H 161 9.277 9.277 9.233 0.044 18389 4503 1 5 . 1 1 162 162 VAL N N 162 121.357 121.357 121.469 -0.112 18389 4504 1 5 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.095 0.872 18389 4505 1 5 . 1 1 162 162 VAL C C 162 170.928 170.928 173.314 -2.386 18389 4506 1 5 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.067 -3.381 18389 4507 1 5 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.577 -1.735 18389 4508 1 5 . 1 1 162 162 VAL H H 162 8.453 8.453 8.594 -0.141 18389 4509 1 5 . 1 1 163 163 ASP N N 163 119.088 119.088 126.484 -7.396 18389 4510 1 5 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.270 0.309 18389 4511 1 5 . 1 1 163 163 ASP C C 163 172.563 172.563 174.963 -2.400 18389 4512 1 5 . 1 1 163 163 ASP CA C 163 49.482 49.482 51.887 -2.405 18389 4513 1 5 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.244 -2.781 18389 4514 1 5 . 1 1 163 163 ASP H H 163 9.233 9.233 8.847 0.386 18389 4515 1 5 . 1 1 164 164 ASN N N 164 117.316 117.316 114.770 2.546 18389 4516 1 5 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.726 -0.077 18389 4517 1 5 . 1 1 164 164 ASN C C 164 170.940 170.940 174.978 -4.038 18389 4518 1 5 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.041 -1.369 18389 4519 1 5 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.304 -1.909 18389 4520 1 5 . 1 1 164 164 ASN H H 164 9.864 9.864 9.183 0.681 18389 4521 1 5 . 1 1 165 165 ILE N N 165 118.660 118.660 120.075 -1.415 18389 4522 1 5 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.512 0.927 18389 4523 1 5 . 1 1 165 165 ILE C C 165 173.336 173.336 176.115 -2.779 18389 4524 1 5 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.654 -3.499 18389 4525 1 5 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.753 -2.566 18389 4526 1 5 . 1 1 165 165 ILE H H 165 8.716 8.716 7.959 0.757 18389 4527 1 5 . 1 1 166 166 LYS N N 166 127.896 127.896 125.816 2.080 18389 4528 1 5 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.131 0.047 18389 4529 1 5 . 1 1 166 166 LYS C C 166 170.453 170.453 174.368 -3.915 18389 4530 1 5 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.646 -2.122 18389 4531 1 5 . 1 1 166 166 LYS CB C 166 35.246 35.246 37.352 -2.106 18389 4532 1 5 . 1 1 166 166 LYS H H 166 9.921 9.921 9.052 0.869 18389 4533 1 5 . 1 1 167 167 LEU N N 167 120.747 120.747 122.724 -1.977 18389 4534 1 5 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.804 0.032 18389 4535 1 5 . 1 1 167 167 LEU C C 167 173.703 173.703 174.510 -0.807 18389 4536 1 5 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.344 -2.765 18389 4537 1 5 . 1 1 167 167 LEU CB C 167 40.711 40.711 44.911 -4.200 18389 4538 1 5 . 1 1 167 167 LEU H H 167 8.552 8.552 8.747 -0.195 18389 4539 1 5 . 1 1 168 168 ILE N N 168 116.914 116.914 123.406 -6.492 18389 4540 1 5 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.598 0.392 18389 4541 1 5 . 1 1 168 168 ILE C C 168 173.923 173.923 176.490 -2.567 18389 4542 1 5 . 1 1 168 168 ILE CA C 168 57.376 57.376 57.999 -0.623 18389 4543 1 5 . 1 1 168 168 ILE CB C 168 38.938 38.938 39.189 -0.251 18389 4544 1 5 . 1 1 168 168 ILE H H 168 8.523 8.523 8.742 -0.219 18389 4545 1 5 . 1 1 169 169 GLY N N 169 114.527 114.527 114.929 -0.402 18389 4546 1 5 . 1 1 169 169 GLY C C 169 169.252 169.252 173.867 -4.615 18389 4547 1 5 . 1 1 169 169 GLY CA C 169 42.925 42.925 46.075 -3.150 18389 4548 1 5 . 1 1 169 169 GLY H H 169 8.942 8.942 8.551 0.391 18389 4549 1 5 . 1 1 170 170 ALA N N 170 123.678 123.678 122.586 1.092 18389 4550 1 5 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.403 0.021 18389 4551 1 5 . 1 1 170 170 ALA C C 170 174.985 174.985 176.588 -1.603 18389 4552 1 5 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.694 -2.350 18389 4553 1 5 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.939 -2.853 18389 4554 1 5 . 1 1 170 170 ALA H H 170 8.321 8.321 7.807 0.514 18389 4555 1 5 . 1 1 171 171 LEU N N 171 122.139 122.139 120.915 1.224 18389 4556 1 5 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.762 -0.357 18389 4557 1 5 . 1 1 171 171 LEU C C 171 174.478 174.478 175.152 -0.674 18389 4558 1 5 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.767 -2.133 18389 4559 1 5 . 1 1 171 171 LEU CB C 171 40.111 40.111 44.283 -4.172 18389 4560 1 5 . 1 1 171 171 LEU H H 171 8.182 8.182 8.421 -0.239 18389 4561 1 6 . 1 1 2 2 ALA N N 2 119.048 119.048 126.712 -7.664 18389 4562 1 6 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.849 -0.565 18389 4563 1 6 . 1 1 2 2 ALA C C 2 174.144 174.144 176.188 -2.044 18389 4564 1 6 . 1 1 2 2 ALA CA C 2 48.383 48.383 52.284 -3.901 18389 4565 1 6 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.343 -0.514 18389 4566 1 6 . 1 1 2 2 ALA H H 2 9.577 9.577 8.505 1.072 18389 4567 1 6 . 1 1 3 3 SER N N 3 114.278 114.278 118.216 -3.938 18389 4568 1 6 . 1 1 3 3 SER C C 3 173.040 173.040 174.169 -1.129 18389 4569 1 6 . 1 1 3 3 SER H H 3 8.152 8.152 8.250 -0.098 18389 4570 1 6 . 1 1 6 6 GLY N N 6 112.362 112.362 118.525 -6.163 18389 4571 1 6 . 1 1 6 6 GLY C C 6 170.686 170.686 174.211 -3.525 18389 4572 1 6 . 1 1 6 6 GLY CA C 6 43.313 43.313 46.319 -3.006 18389 4573 1 6 . 1 1 6 6 GLY H H 6 8.750 8.750 8.996 -0.246 18389 4574 1 6 . 1 1 7 7 GLU N N 7 117.722 117.722 124.099 -6.377 18389 4575 1 6 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.558 0.871 18389 4576 1 6 . 1 1 7 7 GLU C C 7 172.744 172.744 175.093 -2.349 18389 4577 1 6 . 1 1 7 7 GLU CA C 7 52.248 52.248 55.658 -3.410 18389 4578 1 6 . 1 1 7 7 GLU CB C 7 31.170 31.170 30.072 1.098 18389 4579 1 6 . 1 1 7 7 GLU H H 7 8.078 8.078 8.174 -0.096 18389 4580 1 6 . 1 1 8 8 LYS N N 8 122.832 122.832 127.836 -5.004 18389 4581 1 6 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.633 -0.094 18389 4582 1 6 . 1 1 8 8 LYS C C 8 171.963 171.963 175.399 -3.436 18389 4583 1 6 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.500 -1.935 18389 4584 1 6 . 1 1 8 8 LYS CB C 8 33.185 33.185 33.678 -0.492 18389 4585 1 6 . 1 1 8 8 LYS H H 8 8.434 8.434 8.813 -0.379 18389 4586 1 6 . 1 1 9 9 MET N N 9 128.562 128.562 125.267 3.295 18389 4587 1 6 . 1 1 9 9 MET HA H 9 4.536 4.536 4.360 0.176 18389 4588 1 6 . 1 1 9 9 MET C C 9 172.911 172.911 176.038 -3.127 18389 4589 1 6 . 1 1 9 9 MET CA C 9 53.012 53.012 54.849 -1.837 18389 4590 1 6 . 1 1 9 9 MET CB C 9 28.376 28.376 31.799 -3.423 18389 4591 1 6 . 1 1 9 9 MET H H 9 8.984 8.984 8.923 0.061 18389 4592 1 6 . 1 1 10 10 LEU N N 10 129.881 129.881 123.621 6.260 18389 4593 1 6 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.497 0.167 18389 4594 1 6 . 1 1 10 10 LEU C C 10 174.887 174.887 175.766 -0.879 18389 4595 1 6 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.117 -1.904 18389 4596 1 6 . 1 1 10 10 LEU CB C 10 40.399 40.399 44.149 -3.750 18389 4597 1 6 . 1 1 10 10 LEU H H 10 9.751 9.751 8.911 0.840 18389 4598 1 6 . 1 1 11 11 ASP N N 11 115.516 115.516 116.527 -1.011 18389 4599 1 6 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.736 -0.013 18389 4600 1 6 . 1 1 11 11 ASP C C 11 170.836 170.836 173.949 -3.113 18389 4601 1 6 . 1 1 11 11 ASP CA C 11 53.583 53.583 54.305 -0.722 18389 4602 1 6 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.470 -3.251 18389 4603 1 6 . 1 1 11 11 ASP H H 11 8.110 8.110 7.671 0.439 18389 4604 1 6 . 1 1 12 12 ASP N N 12 124.144 124.144 124.040 0.104 18389 4605 1 6 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.816 0.035 18389 4606 1 6 . 1 1 12 12 ASP C C 12 175.055 175.055 176.497 -1.442 18389 4607 1 6 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.689 -2.379 18389 4608 1 6 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.239 -3.043 18389 4609 1 6 . 1 1 12 12 ASP H H 12 8.053 8.053 8.676 -0.623 18389 4610 1 6 . 1 1 13 13 PHE N N 13 117.584 117.584 116.683 0.901 18389 4611 1 6 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.232 0.040 18389 4612 1 6 . 1 1 13 13 PHE C C 13 171.960 171.960 175.665 -3.705 18389 4613 1 6 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.252 -0.339 18389 4614 1 6 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.721 -4.546 18389 4615 1 6 . 1 1 13 13 PHE H H 13 9.327 9.327 8.112 1.215 18389 4616 1 6 . 1 1 14 14 GLU N N 14 113.122 113.122 116.915 -3.793 18389 4617 1 6 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.532 0.517 18389 4618 1 6 . 1 1 14 14 GLU C C 14 175.300 175.300 177.136 -1.836 18389 4619 1 6 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.321 -5.340 18389 4620 1 6 . 1 1 14 14 GLU CB C 14 24.994 24.994 30.011 -5.016 18389 4621 1 6 . 1 1 14 14 GLU H H 14 8.165 8.165 8.530 -0.365 18389 4622 1 6 . 1 1 15 15 GLY N N 15 110.108 110.108 107.852 2.256 18389 4623 1 6 . 1 1 15 15 GLY C C 15 171.609 171.609 173.166 -1.557 18389 4624 1 6 . 1 1 15 15 GLY CA C 15 41.854 41.854 45.016 -3.162 18389 4625 1 6 . 1 1 15 15 GLY H H 15 8.117 8.117 7.702 0.415 18389 4626 1 6 . 1 1 16 16 VAL N N 16 121.792 121.792 121.577 0.215 18389 4627 1 6 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.103 0.168 18389 4628 1 6 . 1 1 16 16 VAL C C 16 173.203 173.203 176.192 -2.989 18389 4629 1 6 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.779 -3.496 18389 4630 1 6 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.620 -2.419 18389 4631 1 6 . 1 1 16 16 VAL H H 16 8.190 8.190 8.130 0.060 18389 4632 1 6 . 1 1 17 17 LEU N N 17 124.682 124.682 127.153 -2.471 18389 4633 1 6 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.660 0.238 18389 4634 1 6 . 1 1 17 17 LEU C C 17 174.685 174.685 176.908 -2.223 18389 4635 1 6 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.683 -2.885 18389 4636 1 6 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.772 -3.636 18389 4637 1 6 . 1 1 17 17 LEU H H 17 8.500 8.500 8.407 0.093 18389 4638 1 6 . 1 1 18 18 ASN N N 18 127.589 127.589 121.658 5.931 18389 4639 1 6 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.854 0.293 18389 4640 1 6 . 1 1 18 18 ASN C C 18 171.583 171.583 173.873 -2.290 18389 4641 1 6 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.463 -1.486 18389 4642 1 6 . 1 1 18 18 ASN CB C 18 37.143 37.143 39.090 -1.947 18389 4643 1 6 . 1 1 18 18 ASN H H 18 9.956 9.956 8.747 1.209 18389 4644 1 6 . 1 1 19 19 TRP N N 19 119.913 119.913 120.074 -0.161 18389 4645 1 6 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.366 -0.308 18389 4646 1 6 . 1 1 19 19 TRP C C 19 174.918 174.918 176.727 -1.809 18389 4647 1 6 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.094 -0.718 18389 4648 1 6 . 1 1 19 19 TRP CB C 19 27.400 27.400 32.438 -5.038 18389 4649 1 6 . 1 1 19 19 TRP H H 19 7.057 7.057 7.654 -0.597 18389 4650 1 6 . 1 1 20 20 GLY N N 20 112.934 112.934 110.882 2.052 18389 4651 1 6 . 1 1 20 20 GLY C C 20 171.436 171.436 174.024 -2.588 18389 4652 1 6 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.787 -3.847 18389 4653 1 6 . 1 1 20 20 GLY H H 20 9.622 9.622 9.242 0.380 18389 4654 1 6 . 1 1 21 21 SER N N 21 114.752 114.752 120.935 -6.183 18389 4655 1 6 . 1 1 21 21 SER HA H 21 5.686 5.686 4.896 0.790 18389 4656 1 6 . 1 1 21 21 SER C C 21 170.314 170.314 173.973 -3.659 18389 4657 1 6 . 1 1 21 21 SER CA C 21 55.911 55.911 57.518 -1.607 18389 4658 1 6 . 1 1 21 21 SER CB C 21 64.070 64.070 64.108 -0.038 18389 4659 1 6 . 1 1 21 21 SER H H 21 8.899 8.899 8.742 0.157 18389 4660 1 6 . 1 1 22 22 TYR N N 22 118.001 118.001 123.280 -5.279 18389 4661 1 6 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.985 0.315 18389 4662 1 6 . 1 1 22 22 TYR C C 22 170.760 170.760 173.199 -2.439 18389 4663 1 6 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.898 -3.248 18389 4664 1 6 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.007 -2.183 18389 4665 1 6 . 1 1 22 22 TYR H H 22 8.807 8.807 8.124 0.683 18389 4666 1 6 . 1 1 23 23 SER N N 23 109.826 109.826 115.832 -6.006 18389 4667 1 6 . 1 1 23 23 SER HA H 23 4.912 4.912 5.211 -0.299 18389 4668 1 6 . 1 1 23 23 SER C C 23 169.918 169.918 172.749 -2.831 18389 4669 1 6 . 1 1 23 23 SER CA C 23 55.664 55.664 57.118 -1.454 18389 4670 1 6 . 1 1 23 23 SER CB C 23 62.361 62.361 66.158 -3.797 18389 4671 1 6 . 1 1 23 23 SER H H 23 8.435 8.435 8.631 -0.196 18389 4672 1 6 . 1 1 24 24 GLY N N 24 103.788 103.788 106.338 -2.550 18389 4673 1 6 . 1 1 24 24 GLY C C 24 170.240 170.240 172.651 -2.411 18389 4674 1 6 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.338 -2.571 18389 4675 1 6 . 1 1 24 24 GLY H H 24 7.339 7.339 7.507 -0.168 18389 4676 1 6 . 1 1 25 25 GLU N N 25 116.420 116.420 118.662 -2.242 18389 4677 1 6 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.830 0.279 18389 4678 1 6 . 1 1 25 25 GLU C C 25 173.683 173.683 176.473 -2.790 18389 4679 1 6 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.288 -3.601 18389 4680 1 6 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.608 -3.462 18389 4681 1 6 . 1 1 25 25 GLU H H 25 8.962 8.962 8.847 0.115 18389 4682 1 6 . 1 1 26 26 GLY N N 26 106.660 106.660 102.679 3.981 18389 4683 1 6 . 1 1 26 26 GLY C C 26 171.638 171.638 173.723 -2.085 18389 4684 1 6 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.909 -1.736 18389 4685 1 6 . 1 1 26 26 GLY H H 26 8.483 8.483 8.147 0.336 18389 4686 1 6 . 1 1 27 27 ALA N N 27 123.407 123.407 123.571 -0.164 18389 4687 1 6 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.542 0.105 18389 4688 1 6 . 1 1 27 27 ALA C C 27 174.232 174.232 175.906 -1.674 18389 4689 1 6 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.454 -1.891 18389 4690 1 6 . 1 1 27 27 ALA CB C 27 17.538 17.538 21.148 -3.610 18389 4691 1 6 . 1 1 27 27 ALA H H 27 7.182 7.182 7.470 -0.288 18389 4692 1 6 . 1 1 28 28 LYS N N 28 117.590 117.590 120.212 -2.622 18389 4693 1 6 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.864 0.028 18389 4694 1 6 . 1 1 28 28 LYS C C 28 171.365 171.365 174.545 -3.180 18389 4695 1 6 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.307 -2.888 18389 4696 1 6 . 1 1 28 28 LYS CB C 28 34.544 34.544 37.141 -2.597 18389 4697 1 6 . 1 1 28 28 LYS H H 28 8.650 8.650 8.745 -0.095 18389 4698 1 6 . 1 1 29 29 VAL N N 29 118.148 118.148 123.766 -5.618 18389 4699 1 6 . 1 1 29 29 VAL HA H 29 5.241 5.241 5.059 0.182 18389 4700 1 6 . 1 1 29 29 VAL C C 29 169.809 169.809 174.360 -4.551 18389 4701 1 6 . 1 1 29 29 VAL CA C 29 57.083 57.083 59.340 -2.257 18389 4702 1 6 . 1 1 29 29 VAL CB C 29 31.475 31.475 35.069 -3.594 18389 4703 1 6 . 1 1 29 29 VAL H H 29 8.327 8.327 8.452 -0.125 18389 4704 1 6 . 1 1 30 30 SER N N 30 120.964 120.964 118.886 2.078 18389 4705 1 6 . 1 1 30 30 SER HA H 30 4.993 4.993 4.826 0.167 18389 4706 1 6 . 1 1 30 30 SER C C 30 170.354 170.354 172.649 -2.295 18389 4707 1 6 . 1 1 30 30 SER CA C 30 54.438 54.438 57.232 -2.794 18389 4708 1 6 . 1 1 30 30 SER CB C 30 63.262 63.262 64.496 -1.234 18389 4709 1 6 . 1 1 30 30 SER H H 30 8.797 8.797 8.807 -0.010 18389 4710 1 6 . 1 1 31 31 THR N N 31 112.970 112.970 117.694 -4.724 18389 4711 1 6 . 1 1 31 31 THR HA H 31 5.618 5.618 4.886 0.732 18389 4712 1 6 . 1 1 31 31 THR C C 31 171.857 171.857 173.998 -2.141 18389 4713 1 6 . 1 1 31 31 THR CA C 31 56.212 56.212 60.443 -4.231 18389 4714 1 6 . 1 1 31 31 THR CB C 31 69.719 69.719 70.410 -0.691 18389 4715 1 6 . 1 1 31 31 THR H H 31 8.384 8.384 8.395 -0.011 18389 4716 1 6 . 1 1 32 32 LYS N N 32 119.710 119.710 126.259 -6.549 18389 4717 1 6 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.738 -0.012 18389 4718 1 6 . 1 1 32 32 LYS C C 32 171.734 171.734 174.976 -3.242 18389 4719 1 6 . 1 1 32 32 LYS CA C 32 52.973 52.973 53.346 -0.373 18389 4720 1 6 . 1 1 32 32 LYS CB C 32 34.094 34.094 35.880 -1.786 18389 4721 1 6 . 1 1 32 32 LYS H H 32 8.530 8.530 8.883 -0.353 18389 4722 1 6 . 1 1 33 33 ILE N N 33 124.276 124.276 121.744 2.532 18389 4723 1 6 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.700 0.274 18389 4724 1 6 . 1 1 33 33 ILE C C 33 173.578 173.578 175.890 -2.312 18389 4725 1 6 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.392 -2.954 18389 4726 1 6 . 1 1 33 33 ILE CB C 33 33.463 33.463 39.407 -5.944 18389 4727 1 6 . 1 1 33 33 ILE H H 33 8.669 8.669 8.318 0.351 18389 4728 1 6 . 1 1 34 34 VAL N N 34 121.698 121.698 121.953 -0.255 18389 4729 1 6 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.701 0.166 18389 4730 1 6 . 1 1 34 34 VAL C C 34 172.702 172.702 174.693 -1.991 18389 4731 1 6 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.552 -2.893 18389 4732 1 6 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.276 -0.367 18389 4733 1 6 . 1 1 34 34 VAL H H 34 8.463 8.463 8.666 -0.203 18389 4734 1 6 . 1 1 35 35 SER N N 35 115.704 115.704 116.108 -0.404 18389 4735 1 6 . 1 1 35 35 SER HA H 35 4.590 4.590 4.621 -0.031 18389 4736 1 6 . 1 1 35 35 SER CA C 35 58.345 58.345 59.011 -0.666 18389 4737 1 6 . 1 1 35 35 SER CB C 35 60.619 60.619 63.795 -3.176 18389 4738 1 6 . 1 1 35 35 SER H H 35 8.271 8.271 8.415 -0.144 18389 4739 1 6 . 1 1 36 36 GLY N N 36 113.970 113.970 109.297 4.673 18389 4740 1 6 . 1 1 36 36 GLY C C 36 170.257 170.257 172.721 -2.464 18389 4741 1 6 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.164 -3.466 18389 4742 1 6 . 1 1 36 36 GLY H H 36 9.267 9.267 7.976 1.291 18389 4743 1 6 . 1 1 37 37 LYS N N 37 129.227 129.227 117.032 12.195 18389 4744 1 6 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.651 -0.296 18389 4745 1 6 . 1 1 37 37 LYS C C 37 174.912 174.912 176.672 -1.760 18389 4746 1 6 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.659 -2.104 18389 4747 1 6 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.406 -2.997 18389 4748 1 6 . 1 1 37 37 LYS H H 37 8.484 8.484 7.238 1.246 18389 4749 1 6 . 1 1 38 38 THR N N 38 109.924 109.924 112.428 -2.504 18389 4750 1 6 . 1 1 38 38 THR HA H 38 4.398 4.398 4.352 0.046 18389 4751 1 6 . 1 1 38 38 THR C C 38 171.818 171.818 174.369 -2.551 18389 4752 1 6 . 1 1 38 38 THR CA C 38 57.223 57.223 60.870 -3.647 18389 4753 1 6 . 1 1 38 38 THR CB C 38 67.805 67.805 69.786 -1.981 18389 4754 1 6 . 1 1 38 38 THR H H 38 7.549 7.549 7.474 0.075 18389 4755 1 6 . 1 1 40 40 ASN N N 40 129.674 129.674 122.732 6.942 18389 4756 1 6 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.940 0.583 18389 4757 1 6 . 1 1 40 40 ASN C C 40 173.717 173.717 174.790 -1.073 18389 4758 1 6 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.044 -1.722 18389 4759 1 6 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.386 -3.198 18389 4760 1 6 . 1 1 40 40 ASN H H 40 10.958 10.958 8.709 2.249 18389 4761 1 6 . 1 1 41 41 GLY N N 41 111.261 111.261 106.609 4.652 18389 4762 1 6 . 1 1 41 41 GLY C C 41 166.652 166.652 172.278 -5.626 18389 4763 1 6 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.854 -2.143 18389 4764 1 6 . 1 1 41 41 GLY H H 41 9.674 9.674 8.828 0.846 18389 4765 1 6 . 1 1 42 42 MET N N 42 119.165 119.165 120.131 -0.966 18389 4766 1 6 . 1 1 42 42 MET HA H 42 4.849 4.849 5.075 -0.226 18389 4767 1 6 . 1 1 42 42 MET C C 42 171.154 171.154 173.408 -2.254 18389 4768 1 6 . 1 1 42 42 MET CA C 42 51.503 51.503 52.771 -1.268 18389 4769 1 6 . 1 1 42 42 MET CB C 42 33.293 33.293 35.801 -2.508 18389 4770 1 6 . 1 1 42 42 MET H H 42 7.550 7.550 8.552 -1.002 18389 4771 1 6 . 1 1 43 43 GLU N N 43 128.221 128.221 127.008 1.213 18389 4772 1 6 . 1 1 43 43 GLU HA H 43 4.866 4.866 4.739 0.127 18389 4773 1 6 . 1 1 43 43 GLU C C 43 172.612 172.612 174.160 -1.548 18389 4774 1 6 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.621 -2.942 18389 4775 1 6 . 1 1 43 43 GLU CB C 43 30.396 30.396 31.382 -0.986 18389 4776 1 6 . 1 1 43 43 GLU H H 43 9.355 9.355 9.046 0.309 18389 4777 1 6 . 1 1 44 44 VAL N N 44 131.011 131.011 125.031 5.980 18389 4778 1 6 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.981 -0.619 18389 4779 1 6 . 1 1 44 44 VAL C C 44 171.752 171.752 173.249 -1.497 18389 4780 1 6 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.399 -1.064 18389 4781 1 6 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.342 -6.392 18389 4782 1 6 . 1 1 44 44 VAL H H 44 9.002 9.002 8.562 0.440 18389 4783 1 6 . 1 1 45 45 SER N N 45 120.764 120.764 122.334 -1.570 18389 4784 1 6 . 1 1 45 45 SER HA H 45 4.975 4.975 4.929 0.046 18389 4785 1 6 . 1 1 45 45 SER C C 45 170.500 170.500 172.121 -1.621 18389 4786 1 6 . 1 1 45 45 SER CA C 45 53.547 53.547 56.034 -2.487 18389 4787 1 6 . 1 1 45 45 SER CB C 45 61.650 61.650 64.979 -3.329 18389 4788 1 6 . 1 1 45 45 SER H H 45 8.511 8.511 8.554 -0.043 18389 4789 1 6 . 1 1 46 46 TYR N N 46 123.478 123.478 119.644 3.834 18389 4790 1 6 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.321 -0.046 18389 4791 1 6 . 1 1 46 46 TYR C C 46 171.644 171.644 173.962 -2.318 18389 4792 1 6 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.206 -2.971 18389 4793 1 6 . 1 1 46 46 TYR CB C 46 37.465 37.465 40.385 -2.920 18389 4794 1 6 . 1 1 46 46 TYR H H 46 8.511 8.511 8.212 0.299 18389 4795 1 6 . 1 1 47 47 THR N N 47 118.641 118.641 117.934 0.707 18389 4796 1 6 . 1 1 47 47 THR HA H 47 4.793 4.793 4.682 0.111 18389 4797 1 6 . 1 1 47 47 THR C C 47 171.614 171.614 174.032 -2.418 18389 4798 1 6 . 1 1 47 47 THR CA C 47 58.267 58.267 61.655 -3.388 18389 4799 1 6 . 1 1 47 47 THR CB C 47 68.820 68.820 70.196 -1.376 18389 4800 1 6 . 1 1 47 47 THR H H 47 8.935 8.935 8.657 0.278 18389 4801 1 6 . 1 1 48 48 GLY N N 48 112.467 112.467 112.238 0.229 18389 4802 1 6 . 1 1 48 48 GLY C C 48 170.521 170.521 172.228 -1.707 18389 4803 1 6 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.741 -1.665 18389 4804 1 6 . 1 1 48 48 GLY H H 48 7.723 7.723 8.335 -0.612 18389 4805 1 6 . 1 1 49 49 THR N N 49 106.823 106.823 112.935 -6.112 18389 4806 1 6 . 1 1 49 49 THR HA H 49 4.913 4.913 4.642 0.271 18389 4807 1 6 . 1 1 49 49 THR C C 49 172.529 172.529 175.908 -3.379 18389 4808 1 6 . 1 1 49 49 THR CA C 49 57.385 57.385 59.428 -2.043 18389 4809 1 6 . 1 1 49 49 THR CB C 49 69.609 69.609 70.593 -0.984 18389 4810 1 6 . 1 1 49 49 THR H H 49 8.019 8.019 7.759 0.260 18389 4811 1 6 . 1 1 51 51 ASP N N 51 118.095 118.095 119.575 -1.480 18389 4812 1 6 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.659 0.345 18389 4813 1 6 . 1 1 51 51 ASP C C 51 172.913 172.913 176.364 -3.451 18389 4814 1 6 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.266 -1.021 18389 4815 1 6 . 1 1 51 51 ASP CB C 51 38.770 38.770 40.671 -1.901 18389 4816 1 6 . 1 1 51 51 ASP H H 51 8.613 8.613 8.349 0.264 18389 4817 1 6 . 1 1 52 52 GLY N N 52 107.075 107.075 108.572 -1.497 18389 4818 1 6 . 1 1 52 52 GLY C C 52 169.748 169.748 172.828 -3.080 18389 4819 1 6 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.114 -2.208 18389 4820 1 6 . 1 1 52 52 GLY H H 52 7.651 7.651 7.368 0.283 18389 4821 1 6 . 1 1 53 53 TYR N N 53 112.556 112.556 116.538 -3.982 18389 4822 1 6 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.337 -0.716 18389 4823 1 6 . 1 1 53 53 TYR C C 53 169.219 169.219 173.885 -4.666 18389 4824 1 6 . 1 1 53 53 TYR CA C 53 52.106 52.106 55.781 -3.675 18389 4825 1 6 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.892 -1.862 18389 4826 1 6 . 1 1 53 53 TYR H H 53 6.918 6.918 8.037 -1.119 18389 4827 1 6 . 1 1 54 54 TRP N N 54 112.748 112.748 117.942 -5.194 18389 4828 1 6 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.398 -0.019 18389 4829 1 6 . 1 1 54 54 TRP C C 54 171.085 171.085 174.805 -3.720 18389 4830 1 6 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.723 -3.463 18389 4831 1 6 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.616 -2.641 18389 4832 1 6 . 1 1 54 54 TRP H H 54 6.406 6.406 7.948 -1.542 18389 4833 1 6 . 1 1 55 55 GLY N N 55 108.552 108.552 107.184 1.368 18389 4834 1 6 . 1 1 55 55 GLY C C 55 168.023 168.023 173.998 -5.975 18389 4835 1 6 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.434 -1.986 18389 4836 1 6 . 1 1 55 55 GLY H H 55 8.689 8.689 8.046 0.643 18389 4837 1 6 . 1 1 56 56 THR N N 56 113.376 113.376 117.072 -3.696 18389 4838 1 6 . 1 1 56 56 THR HA H 56 5.868 5.868 4.691 1.177 18389 4839 1 6 . 1 1 56 56 THR C C 56 170.376 170.376 174.802 -4.426 18389 4840 1 6 . 1 1 56 56 THR CA C 56 57.238 57.238 63.465 -6.228 18389 4841 1 6 . 1 1 56 56 THR CB C 56 69.053 69.053 69.078 -0.025 18389 4842 1 6 . 1 1 56 56 THR H H 56 9.518 9.518 7.985 1.533 18389 4843 1 6 . 1 1 57 57 VAL N N 57 123.361 123.361 125.559 -2.198 18389 4844 1 6 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.347 1.106 18389 4845 1 6 . 1 1 57 57 VAL C C 57 169.082 169.082 174.921 -5.839 18389 4846 1 6 . 1 1 57 57 VAL CA C 57 56.049 56.049 62.184 -6.135 18389 4847 1 6 . 1 1 57 57 VAL CB C 57 33.347 33.347 32.269 1.078 18389 4848 1 6 . 1 1 57 57 VAL H H 57 8.956 8.956 9.136 -0.180 18389 4849 1 6 . 1 1 58 58 TYR N N 58 131.224 131.224 127.768 3.456 18389 4850 1 6 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.432 0.144 18389 4851 1 6 . 1 1 58 58 TYR C C 58 172.050 172.050 173.577 -1.527 18389 4852 1 6 . 1 1 58 58 TYR CA C 58 51.582 51.582 55.764 -4.182 18389 4853 1 6 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.467 -6.506 18389 4854 1 6 . 1 1 58 58 TYR H H 58 8.641 8.641 8.840 -0.199 18389 4855 1 6 . 1 1 59 59 SER N N 59 123.126 123.126 121.494 1.632 18389 4856 1 6 . 1 1 59 59 SER HA H 59 4.304 4.304 4.436 -0.132 18389 4857 1 6 . 1 1 59 59 SER C C 59 170.891 170.891 173.668 -2.777 18389 4858 1 6 . 1 1 59 59 SER CA C 59 55.452 55.452 56.704 -1.252 18389 4859 1 6 . 1 1 59 59 SER CB C 59 60.048 60.048 63.308 -3.260 18389 4860 1 6 . 1 1 59 59 SER H H 59 8.217 8.217 7.960 0.257 18389 4861 1 6 . 1 1 60 60 LEU N N 60 126.809 126.809 130.176 -3.367 18389 4862 1 6 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.714 -0.461 18389 4863 1 6 . 1 1 60 60 LEU C C 60 173.994 173.994 175.921 -1.927 18389 4864 1 6 . 1 1 60 60 LEU CA C 60 50.050 50.050 52.738 -2.688 18389 4865 1 6 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.526 -3.169 18389 4866 1 6 . 1 1 60 60 LEU H H 60 7.838 7.838 7.872 -0.034 18389 4867 1 6 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.219 0.354 18389 4868 1 6 . 1 1 61 61 PRO C C 61 173.514 173.514 176.515 -3.001 18389 4869 1 6 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.381 -3.129 18389 4870 1 6 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.020 -2.705 18389 4871 1 6 . 1 1 62 62 ASP N N 62 115.943 115.943 114.789 1.154 18389 4872 1 6 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.605 0.234 18389 4873 1 6 . 1 1 62 62 ASP C C 62 172.949 172.949 175.258 -2.309 18389 4874 1 6 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.861 -3.155 18389 4875 1 6 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.876 -2.845 18389 4876 1 6 . 1 1 62 62 ASP H H 62 7.018 7.018 7.737 -0.719 18389 4877 1 6 . 1 1 63 63 GLY N N 63 112.680 112.680 108.346 4.334 18389 4878 1 6 . 1 1 63 63 GLY C C 63 170.273 170.273 174.146 -3.873 18389 4879 1 6 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.429 -1.428 18389 4880 1 6 . 1 1 63 63 GLY H H 63 8.417 8.417 8.237 0.180 18389 4881 1 6 . 1 1 64 64 ASP N N 64 115.221 115.221 119.108 -3.887 18389 4882 1 6 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.484 0.809 18389 4883 1 6 . 1 1 64 64 ASP C C 64 174.354 174.354 176.136 -1.782 18389 4884 1 6 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.685 -2.418 18389 4885 1 6 . 1 1 64 64 ASP CB C 64 37.340 37.340 38.419 -1.079 18389 4886 1 6 . 1 1 64 64 ASP H H 64 7.766 7.766 8.296 -0.530 18389 4887 1 6 . 1 1 65 65 TRP N N 65 130.747 130.747 123.282 7.465 18389 4888 1 6 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.798 0.633 18389 4889 1 6 . 1 1 65 65 TRP C C 65 173.930 173.930 178.426 -4.496 18389 4890 1 6 . 1 1 65 65 TRP CA C 65 52.044 52.044 58.107 -6.063 18389 4891 1 6 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.438 -2.831 18389 4892 1 6 . 1 1 65 65 TRP H H 65 9.687 9.687 7.596 2.091 18389 4893 1 6 . 1 1 66 66 SER N N 66 114.151 114.151 113.797 0.354 18389 4894 1 6 . 1 1 66 66 SER HA H 66 4.041 4.041 3.989 0.052 18389 4895 1 6 . 1 1 66 66 SER CA C 66 59.812 59.812 61.356 -1.544 18389 4896 1 6 . 1 1 66 66 SER CB C 66 60.892 60.892 61.097 -0.205 18389 4897 1 6 . 1 1 66 66 SER H H 66 8.568 8.568 8.997 -0.429 18389 4898 1 6 . 1 1 70 70 LYS N N 70 117.090 117.090 116.474 0.616 18389 4899 1 6 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.892 -0.494 18389 4900 1 6 . 1 1 70 70 LYS C C 70 170.030 170.030 174.575 -4.545 18389 4901 1 6 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.685 -3.826 18389 4902 1 6 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.616 -1.660 18389 4903 1 6 . 1 1 70 70 LYS H H 70 8.308 8.308 7.485 0.823 18389 4904 1 6 . 1 1 71 71 ILE N N 71 118.764 118.764 121.139 -2.375 18389 4905 1 6 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.513 0.701 18389 4906 1 6 . 1 1 71 71 ILE C C 71 169.396 169.396 174.347 -4.951 18389 4907 1 6 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.923 -4.590 18389 4908 1 6 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.571 -0.924 18389 4909 1 6 . 1 1 71 71 ILE H H 71 7.816 7.816 8.218 -0.402 18389 4910 1 6 . 1 1 72 72 SER N N 72 120.952 120.952 117.482 3.470 18389 4911 1 6 . 1 1 72 72 SER HA H 72 5.852 5.852 5.014 0.838 18389 4912 1 6 . 1 1 72 72 SER C C 72 170.208 170.208 172.731 -2.523 18389 4913 1 6 . 1 1 72 72 SER CA C 72 52.457 52.457 55.994 -3.537 18389 4914 1 6 . 1 1 72 72 SER CB C 72 64.125 64.125 64.854 -0.729 18389 4915 1 6 . 1 1 72 72 SER H H 72 9.237 9.237 8.518 0.719 18389 4916 1 6 . 1 1 73 73 PHE N N 73 117.161 117.161 119.939 -2.778 18389 4917 1 6 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.464 -0.093 18389 4918 1 6 . 1 1 73 73 PHE C C 73 170.381 170.381 173.197 -2.816 18389 4919 1 6 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.456 -1.659 18389 4920 1 6 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.204 -2.632 18389 4921 1 6 . 1 1 73 73 PHE H H 73 8.093 8.093 7.923 0.170 18389 4922 1 6 . 1 1 74 74 ASP N N 74 120.210 120.210 121.558 -1.348 18389 4923 1 6 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.656 0.498 18389 4924 1 6 . 1 1 74 74 ASP C C 74 173.653 173.653 174.591 -0.938 18389 4925 1 6 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.729 -2.833 18389 4926 1 6 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.875 -2.388 18389 4927 1 6 . 1 1 74 74 ASP H H 74 8.993 8.993 8.761 0.232 18389 4928 1 6 . 1 1 75 75 ILE N N 75 121.051 121.051 126.069 -5.018 18389 4929 1 6 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.114 1.139 18389 4930 1 6 . 1 1 75 75 ILE C C 75 171.229 171.229 173.249 -2.020 18389 4931 1 6 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.641 -2.120 18389 4932 1 6 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.311 0.210 18389 4933 1 6 . 1 1 75 75 ILE H H 75 9.681 9.681 8.202 1.479 18389 4934 1 6 . 1 1 76 76 LYS N N 76 124.693 124.693 125.437 -0.744 18389 4935 1 6 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.766 0.065 18389 4936 1 6 . 1 1 76 76 LYS C C 76 172.283 172.283 174.220 -1.937 18389 4937 1 6 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.501 -1.099 18389 4938 1 6 . 1 1 76 76 LYS CB C 76 32.722 32.722 34.072 -1.350 18389 4939 1 6 . 1 1 76 76 LYS H H 76 8.454 8.454 7.894 0.560 18389 4940 1 6 . 1 1 77 77 SER N N 77 118.916 118.916 116.294 2.622 18389 4941 1 6 . 1 1 77 77 SER HA H 77 4.816 4.816 4.781 0.035 18389 4942 1 6 . 1 1 77 77 SER C C 77 172.741 172.741 175.269 -2.528 18389 4943 1 6 . 1 1 77 77 SER CA C 77 55.341 55.341 58.805 -3.464 18389 4944 1 6 . 1 1 77 77 SER CB C 77 61.792 61.792 63.949 -2.157 18389 4945 1 6 . 1 1 77 77 SER H H 77 9.236 9.236 8.605 0.631 18389 4946 1 6 . 1 1 78 78 VAL N N 78 120.723 120.723 119.083 1.640 18389 4947 1 6 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.392 -0.058 18389 4948 1 6 . 1 1 78 78 VAL C C 78 172.941 172.941 174.489 -1.548 18389 4949 1 6 . 1 1 78 78 VAL CA C 78 59.795 59.795 60.938 -1.143 18389 4950 1 6 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.317 -3.049 18389 4951 1 6 . 1 1 78 78 VAL H H 78 8.132 8.132 8.543 -0.411 18389 4952 1 6 . 1 1 79 79 ASP N N 79 119.240 119.240 121.261 -2.021 18389 4953 1 6 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.769 -0.028 18389 4954 1 6 . 1 1 79 79 ASP C C 79 174.199 174.199 177.509 -3.310 18389 4955 1 6 . 1 1 79 79 ASP CA C 79 51.112 51.112 52.974 -1.862 18389 4956 1 6 . 1 1 79 79 ASP CB C 79 39.073 39.073 44.665 -5.592 18389 4957 1 6 . 1 1 79 79 ASP H H 79 8.190 8.190 7.349 0.841 18389 4958 1 6 . 1 1 80 80 GLY N N 80 108.323 108.323 111.672 -3.349 18389 4959 1 6 . 1 1 80 80 GLY C C 80 171.858 171.858 175.038 -3.180 18389 4960 1 6 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.556 -2.453 18389 4961 1 6 . 1 1 80 80 GLY H H 80 8.275 8.275 8.711 -0.436 18389 4962 1 6 . 1 1 81 81 SER N N 81 116.291 116.291 117.290 -0.999 18389 4963 1 6 . 1 1 81 81 SER HA H 81 4.588 4.588 4.307 0.281 18389 4964 1 6 . 1 1 81 81 SER C C 81 171.588 171.588 174.131 -2.543 18389 4965 1 6 . 1 1 81 81 SER CA C 81 55.552 55.552 59.169 -3.617 18389 4966 1 6 . 1 1 81 81 SER CB C 81 61.910 61.910 64.029 -2.119 18389 4967 1 6 . 1 1 81 81 SER H H 81 8.201 8.201 8.089 0.112 18389 4968 1 6 . 1 1 82 82 ALA N N 82 128.019 128.019 123.529 4.490 18389 4969 1 6 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.487 0.475 18389 4970 1 6 . 1 1 82 82 ALA C C 82 173.332 173.332 176.752 -3.420 18389 4971 1 6 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.421 -2.342 18389 4972 1 6 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.569 -2.998 18389 4973 1 6 . 1 1 82 82 ALA H H 82 8.613 8.613 8.195 0.418 18389 4974 1 6 . 1 1 83 83 ASN N N 83 119.651 119.651 116.921 2.730 18389 4975 1 6 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.565 0.497 18389 4976 1 6 . 1 1 83 83 ASN C C 83 170.848 170.848 175.257 -4.409 18389 4977 1 6 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.953 -2.193 18389 4978 1 6 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.263 0.526 18389 4979 1 6 . 1 1 83 83 ASN H H 83 8.153 8.153 8.072 0.081 18389 4980 1 6 . 1 1 84 84 GLU N N 84 127.150 127.150 120.386 6.764 18389 4981 1 6 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.588 0.124 18389 4982 1 6 . 1 1 84 84 GLU C C 84 171.647 171.647 175.195 -3.548 18389 4983 1 6 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.561 -0.789 18389 4984 1 6 . 1 1 84 84 GLU CB C 84 28.701 28.701 31.506 -2.805 18389 4985 1 6 . 1 1 84 84 GLU H H 84 8.122 8.122 8.244 -0.122 18389 4986 1 6 . 1 1 85 85 ILE N N 85 117.590 117.590 114.157 3.433 18389 4987 1 6 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.825 -0.192 18389 4988 1 6 . 1 1 85 85 ILE C C 85 171.902 171.902 173.530 -1.628 18389 4989 1 6 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.313 -1.282 18389 4990 1 6 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.689 -2.437 18389 4991 1 6 . 1 1 85 85 ILE H H 85 8.910 8.910 8.833 0.077 18389 4992 1 6 . 1 1 86 86 ARG N N 86 116.697 116.697 119.511 -2.814 18389 4993 1 6 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.124 0.272 18389 4994 1 6 . 1 1 86 86 ARG C C 86 171.787 171.787 175.059 -3.272 18389 4995 1 6 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.022 -0.907 18389 4996 1 6 . 1 1 86 86 ARG CB C 86 32.062 32.062 34.658 -2.596 18389 4997 1 6 . 1 1 86 86 ARG H H 86 9.149 9.149 8.770 0.379 18389 4998 1 6 . 1 1 87 87 PHE N N 87 123.607 123.607 121.614 1.993 18389 4999 1 6 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.378 0.110 18389 5000 1 6 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.581 -1.764 18389 5001 1 6 . 1 1 87 87 PHE CB C 87 40.112 40.112 40.765 -0.653 18389 5002 1 6 . 1 1 87 87 PHE H H 87 9.235 9.235 8.967 0.268 18389 5003 1 6 . 1 1 88 88 MET N N 88 129.893 129.893 122.058 7.835 18389 5004 1 6 . 1 1 88 88 MET HA H 88 5.836 5.836 5.922 -0.086 18389 5005 1 6 . 1 1 88 88 MET C C 88 170.768 170.768 174.305 -3.537 18389 5006 1 6 . 1 1 88 88 MET CA C 88 51.118 51.118 54.609 -3.491 18389 5007 1 6 . 1 1 88 88 MET CB C 88 37.224 37.224 37.564 -0.340 18389 5008 1 6 . 1 1 88 88 MET H H 88 8.868 8.868 9.119 -0.251 18389 5009 1 6 . 1 1 89 89 ILE N N 89 124.630 124.630 124.067 0.563 18389 5010 1 6 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.058 -0.520 18389 5011 1 6 . 1 1 89 89 ILE C C 89 171.047 171.047 173.949 -2.902 18389 5012 1 6 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.790 -1.819 18389 5013 1 6 . 1 1 89 89 ILE CB C 89 38.920 38.920 41.911 -2.991 18389 5014 1 6 . 1 1 89 89 ILE H H 89 9.258 9.258 9.165 0.093 18389 5015 1 6 . 1 1 90 90 ALA N N 90 128.743 128.743 128.164 0.579 18389 5016 1 6 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.639 0.027 18389 5017 1 6 . 1 1 90 90 ALA C C 90 176.041 176.041 175.735 0.306 18389 5018 1 6 . 1 1 90 90 ALA CA C 90 46.821 46.821 50.032 -3.211 18389 5019 1 6 . 1 1 90 90 ALA CB C 90 18.331 18.331 23.190 -4.859 18389 5020 1 6 . 1 1 90 90 ALA H H 90 8.749 8.749 9.205 -0.456 18389 5021 1 6 . 1 1 91 91 GLU N N 91 121.616 121.616 120.418 1.198 18389 5022 1 6 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.924 -0.206 18389 5023 1 6 . 1 1 91 91 GLU C C 91 174.217 174.217 176.355 -2.138 18389 5024 1 6 . 1 1 91 91 GLU CA C 91 53.143 53.143 54.322 -1.179 18389 5025 1 6 . 1 1 91 91 GLU CB C 91 29.847 29.847 33.610 -3.763 18389 5026 1 6 . 1 1 91 91 GLU H H 91 8.749 8.749 9.129 -0.380 18389 5027 1 6 . 1 1 92 92 LYS N N 92 117.975 117.975 122.036 -4.061 18389 5028 1 6 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.213 0.157 18389 5029 1 6 . 1 1 92 92 LYS C C 92 174.743 174.743 176.172 -1.429 18389 5030 1 6 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.740 -2.380 18389 5031 1 6 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.147 -2.491 18389 5032 1 6 . 1 1 92 92 LYS H H 92 8.014 8.014 8.465 -0.451 18389 5033 1 6 . 1 1 93 93 SER N N 93 115.092 115.092 118.249 -3.157 18389 5034 1 6 . 1 1 93 93 SER HA H 93 4.215 4.215 4.302 -0.087 18389 5035 1 6 . 1 1 93 93 SER C C 93 174.964 174.964 176.713 -1.749 18389 5036 1 6 . 1 1 93 93 SER CA C 93 53.874 53.874 58.357 -4.483 18389 5037 1 6 . 1 1 93 93 SER CB C 93 61.736 61.736 63.876 -2.140 18389 5038 1 6 . 1 1 93 93 SER H H 93 8.083 8.083 8.587 -0.504 18389 5039 1 6 . 1 1 94 94 ILE N N 94 121.880 121.880 123.210 -1.330 18389 5040 1 6 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.014 0.372 18389 5041 1 6 . 1 1 94 94 ILE C C 94 174.020 174.020 176.658 -2.638 18389 5042 1 6 . 1 1 94 94 ILE CA C 94 60.345 60.345 63.165 -2.820 18389 5043 1 6 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.831 -1.830 18389 5044 1 6 . 1 1 94 94 ILE H H 94 9.150 9.150 8.819 0.331 18389 5045 1 6 . 1 1 95 95 ASN N N 95 117.349 117.349 117.868 -0.519 18389 5046 1 6 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.747 0.308 18389 5047 1 6 . 1 1 95 95 ASN C C 95 173.659 173.659 176.260 -2.601 18389 5048 1 6 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.919 -3.531 18389 5049 1 6 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.327 -2.661 18389 5050 1 6 . 1 1 95 95 ASN H H 95 8.163 8.163 8.032 0.131 18389 5051 1 6 . 1 1 96 96 GLY N N 96 106.957 106.957 109.379 -2.422 18389 5052 1 6 . 1 1 96 96 GLY C C 96 170.704 170.704 173.612 -2.908 18389 5053 1 6 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.721 -2.401 18389 5054 1 6 . 1 1 96 96 GLY H H 96 7.530 7.530 7.882 -0.352 18389 5055 1 6 . 1 1 97 97 VAL N N 97 119.393 119.393 121.545 -2.152 18389 5056 1 6 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.258 0.096 18389 5057 1 6 . 1 1 97 97 VAL C C 97 173.622 173.622 175.702 -2.080 18389 5058 1 6 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.369 -2.227 18389 5059 1 6 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.585 -2.814 18389 5060 1 6 . 1 1 97 97 VAL H H 97 7.650 7.650 7.267 0.383 18389 5061 1 6 . 1 1 98 98 GLY N N 98 115.075 115.075 113.981 1.094 18389 5062 1 6 . 1 1 98 98 GLY C C 98 170.065 170.065 172.364 -2.299 18389 5063 1 6 . 1 1 98 98 GLY CA C 98 42.739 42.739 44.805 -2.066 18389 5064 1 6 . 1 1 98 98 GLY H H 98 8.712 8.712 8.591 0.121 18389 5065 1 6 . 1 1 99 99 ASP N N 99 119.064 119.064 118.172 0.892 18389 5066 1 6 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.676 -0.001 18389 5067 1 6 . 1 1 99 99 ASP C C 99 172.502 172.502 175.029 -2.527 18389 5068 1 6 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.059 -2.478 18389 5069 1 6 . 1 1 99 99 ASP CB C 99 39.195 39.195 44.058 -4.863 18389 5070 1 6 . 1 1 99 99 ASP H H 99 8.746 8.746 7.988 0.758 18389 5071 1 6 . 1 1 100 100 GLY N N 100 109.333 109.333 108.259 1.074 18389 5072 1 6 . 1 1 100 100 GLY C C 100 167.638 167.638 173.312 -5.674 18389 5073 1 6 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.969 -4.860 18389 5074 1 6 . 1 1 100 100 GLY H H 100 8.285 8.285 8.816 -0.531 18389 5075 1 6 . 1 1 101 101 GLU N N 101 120.835 120.835 125.146 -4.311 18389 5076 1 6 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.888 -0.161 18389 5077 1 6 . 1 1 101 101 GLU C C 101 173.652 173.652 175.328 -1.676 18389 5078 1 6 . 1 1 101 101 GLU CA C 101 55.449 55.449 55.348 0.101 18389 5079 1 6 . 1 1 101 101 GLU CB C 101 31.014 31.014 32.215 -1.202 18389 5080 1 6 . 1 1 101 101 GLU H H 101 8.339 8.339 8.429 -0.090 18389 5081 1 6 . 1 1 102 102 HIS N N 102 126.597 126.597 118.523 8.074 18389 5082 1 6 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.620 -0.214 18389 5083 1 6 . 1 1 102 102 HIS C C 102 174.479 174.479 173.322 1.157 18389 5084 1 6 . 1 1 102 102 HIS CA C 102 52.912 52.912 53.866 -0.954 18389 5085 1 6 . 1 1 102 102 HIS CB C 102 33.756 33.756 33.457 0.299 18389 5086 1 6 . 1 1 102 102 HIS H H 102 10.029 10.029 7.844 2.185 18389 5087 1 6 . 1 1 103 103 TRP N N 103 125.616 125.616 119.236 6.380 18389 5088 1 6 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.282 -0.251 18389 5089 1 6 . 1 1 103 103 TRP C C 103 173.236 173.236 174.945 -1.709 18389 5090 1 6 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.584 -1.751 18389 5091 1 6 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.952 -3.762 18389 5092 1 6 . 1 1 103 103 TRP H H 103 9.242 9.242 9.303 -0.061 18389 5093 1 6 . 1 1 104 104 VAL N N 104 114.086 114.086 118.366 -4.280 18389 5094 1 6 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.768 0.365 18389 5095 1 6 . 1 1 104 104 VAL C C 104 173.194 173.194 173.927 -0.733 18389 5096 1 6 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.372 -2.043 18389 5097 1 6 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.614 -0.171 18389 5098 1 6 . 1 1 104 104 VAL H H 104 10.273 10.273 9.365 0.908 18389 5099 1 6 . 1 1 105 105 TYR N N 105 123.278 123.278 126.079 -2.801 18389 5100 1 6 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.927 -0.267 18389 5101 1 6 . 1 1 105 105 TYR C C 105 172.030 172.030 173.531 -1.501 18389 5102 1 6 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.476 0.246 18389 5103 1 6 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.908 -0.935 18389 5104 1 6 . 1 1 105 105 TYR H H 105 9.219 9.219 9.224 -0.005 18389 5105 1 6 . 1 1 106 106 SER N N 106 123.619 123.619 122.453 1.166 18389 5106 1 6 . 1 1 106 106 SER HA H 106 5.226 5.226 5.200 0.026 18389 5107 1 6 . 1 1 106 106 SER C C 106 170.291 170.291 172.979 -2.688 18389 5108 1 6 . 1 1 106 106 SER CA C 106 56.800 56.800 56.858 -0.058 18389 5109 1 6 . 1 1 106 106 SER CB C 106 61.265 61.265 64.341 -3.076 18389 5110 1 6 . 1 1 106 106 SER H H 106 7.768 7.768 8.368 -0.600 18389 5111 1 6 . 1 1 107 107 ILE N N 107 120.192 120.192 120.902 -0.710 18389 5112 1 6 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.553 0.206 18389 5113 1 6 . 1 1 107 107 ILE C C 107 171.471 171.471 173.270 -1.799 18389 5114 1 6 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.404 -2.393 18389 5115 1 6 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.313 -1.554 18389 5116 1 6 . 1 1 107 107 ILE H H 107 8.942 8.942 8.648 0.294 18389 5117 1 6 . 1 1 108 108 THR N N 108 118.723 118.723 112.774 5.949 18389 5118 1 6 . 1 1 108 108 THR HA H 108 5.017 5.017 4.730 0.287 18389 5119 1 6 . 1 1 108 108 THR C C 108 170.359 170.359 173.035 -2.676 18389 5120 1 6 . 1 1 108 108 THR CA C 108 56.686 56.686 58.166 -1.480 18389 5121 1 6 . 1 1 108 108 THR CB C 108 67.488 67.488 69.712 -2.224 18389 5122 1 6 . 1 1 108 108 THR H H 108 8.718 8.718 8.079 0.639 18389 5123 1 6 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.582 -0.172 18389 5124 1 6 . 1 1 109 109 PRO C C 109 171.443 171.443 176.087 -4.644 18389 5125 1 6 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.465 -2.641 18389 5126 1 6 . 1 1 109 109 PRO CB C 109 29.978 29.978 32.912 -2.934 18389 5127 1 6 . 1 1 110 110 ASP N N 110 122.785 122.785 121.298 1.487 18389 5128 1 6 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.784 0.364 18389 5129 1 6 . 1 1 110 110 ASP C C 110 174.113 174.113 177.169 -3.056 18389 5130 1 6 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.493 -3.437 18389 5131 1 6 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.868 -3.179 18389 5132 1 6 . 1 1 110 110 ASP H H 110 9.061 9.061 8.337 0.724 18389 5133 1 6 . 1 1 111 111 SER N N 111 112.595 112.595 113.306 -0.711 18389 5134 1 6 . 1 1 111 111 SER HA H 111 4.432 4.432 4.330 0.102 18389 5135 1 6 . 1 1 111 111 SER CA C 111 58.333 58.333 59.413 -1.081 18389 5136 1 6 . 1 1 111 111 SER CB C 111 61.046 61.046 63.820 -2.774 18389 5137 1 6 . 1 1 111 111 SER H H 111 8.435 8.435 8.548 -0.113 18389 5138 1 6 . 1 1 112 112 SER N N 112 116.615 116.615 114.942 1.673 18389 5139 1 6 . 1 1 112 112 SER HA H 112 4.862 4.862 4.490 0.372 18389 5140 1 6 . 1 1 112 112 SER C C 112 170.519 170.519 172.961 -2.442 18389 5141 1 6 . 1 1 112 112 SER CA C 112 54.017 54.017 57.157 -3.140 18389 5142 1 6 . 1 1 112 112 SER CB C 112 62.948 62.948 65.079 -2.131 18389 5143 1 6 . 1 1 112 112 SER H H 112 8.035 8.035 7.608 0.427 18389 5144 1 6 . 1 1 113 113 TRP N N 113 120.576 120.576 121.755 -1.179 18389 5145 1 6 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.505 0.049 18389 5146 1 6 . 1 1 113 113 TRP C C 113 174.599 174.599 176.526 -1.927 18389 5147 1 6 . 1 1 113 113 TRP CA C 113 56.882 56.882 58.260 -1.378 18389 5148 1 6 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.550 -2.190 18389 5149 1 6 . 1 1 113 113 TRP H H 113 8.318 8.318 8.481 -0.163 18389 5150 1 6 . 1 1 114 114 LYS N N 114 123.372 123.372 124.705 -1.333 18389 5151 1 6 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.706 0.188 18389 5152 1 6 . 1 1 114 114 LYS C C 114 172.772 172.772 175.027 -2.255 18389 5153 1 6 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.730 -2.783 18389 5154 1 6 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.613 -1.363 18389 5155 1 6 . 1 1 114 114 LYS H H 114 8.782 8.782 9.174 -0.392 18389 5156 1 6 . 1 1 115 115 THR N N 115 120.929 120.929 121.326 -0.397 18389 5157 1 6 . 1 1 115 115 THR HA H 115 5.226 5.226 4.957 0.269 18389 5158 1 6 . 1 1 115 115 THR C C 115 171.778 171.778 174.477 -2.699 18389 5159 1 6 . 1 1 115 115 THR CA C 115 59.671 59.671 61.810 -2.139 18389 5160 1 6 . 1 1 115 115 THR CB C 115 66.938 66.938 69.005 -2.067 18389 5161 1 6 . 1 1 115 115 THR H H 115 8.689 8.689 8.444 0.245 18389 5162 1 6 . 1 1 116 116 ILE N N 116 131.929 131.929 129.183 2.746 18389 5163 1 6 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.347 -0.163 18389 5164 1 6 . 1 1 116 116 ILE C C 116 171.012 171.012 175.153 -4.141 18389 5165 1 6 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.221 -3.864 18389 5166 1 6 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.458 -3.127 18389 5167 1 6 . 1 1 116 116 ILE H H 116 9.470 9.470 9.111 0.359 18389 5168 1 6 . 1 1 117 117 GLU N N 117 124.514 124.514 127.317 -2.803 18389 5169 1 6 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.566 0.304 18389 5170 1 6 . 1 1 117 117 GLU C C 117 173.332 173.332 175.840 -2.508 18389 5171 1 6 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.074 -4.276 18389 5172 1 6 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.726 -0.032 18389 5173 1 6 . 1 1 117 117 GLU H H 117 8.089 8.089 8.294 -0.205 18389 5174 1 6 . 1 1 118 118 ILE N N 118 125.005 125.005 124.783 0.222 18389 5175 1 6 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.508 -0.085 18389 5176 1 6 . 1 1 118 118 ILE C C 118 171.765 171.765 173.459 -1.694 18389 5177 1 6 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.166 -2.526 18389 5178 1 6 . 1 1 118 118 ILE CB C 118 37.429 37.429 40.653 -3.224 18389 5179 1 6 . 1 1 118 118 ILE H H 118 9.322 9.322 8.784 0.538 18389 5180 1 6 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.963 -0.126 18389 5181 1 6 . 1 1 119 119 PRO C C 119 176.780 176.780 178.647 -1.867 18389 5182 1 6 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.696 -2.292 18389 5183 1 6 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.253 -3.188 18389 5184 1 6 . 1 1 120 120 PHE N N 120 124.627 124.627 117.838 6.789 18389 5185 1 6 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.316 0.678 18389 5186 1 6 . 1 1 120 120 PHE C C 120 175.402 175.402 177.101 -1.699 18389 5187 1 6 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.897 -1.625 18389 5188 1 6 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.565 -2.320 18389 5189 1 6 . 1 1 120 120 PHE H H 120 8.160 8.160 7.748 0.412 18389 5190 1 6 . 1 1 121 121 SER N N 121 110.551 110.551 112.983 -2.432 18389 5191 1 6 . 1 1 121 121 SER HA H 121 4.647 4.647 4.372 0.275 18389 5192 1 6 . 1 1 121 121 SER C C 121 173.187 173.187 175.293 -2.106 18389 5193 1 6 . 1 1 121 121 SER CA C 121 57.359 57.359 59.570 -2.211 18389 5194 1 6 . 1 1 121 121 SER CB C 121 60.639 60.639 62.434 -1.794 18389 5195 1 6 . 1 1 121 121 SER H H 121 8.367 8.367 7.673 0.694 18389 5196 1 6 . 1 1 122 122 SER N N 122 117.166 117.166 117.115 0.051 18389 5197 1 6 . 1 1 122 122 SER HA H 122 4.946 4.946 4.152 0.794 18389 5198 1 6 . 1 1 122 122 SER C C 122 172.296 172.296 173.407 -1.111 18389 5199 1 6 . 1 1 122 122 SER CA C 122 57.525 57.525 59.471 -1.946 18389 5200 1 6 . 1 1 122 122 SER CB C 122 61.716 61.716 63.270 -1.554 18389 5201 1 6 . 1 1 122 122 SER H H 122 8.537 8.537 7.453 1.084 18389 5202 1 6 . 1 1 123 123 PHE N N 123 119.840 119.840 120.266 -0.426 18389 5203 1 6 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.993 -0.346 18389 5204 1 6 . 1 1 123 123 PHE C C 123 173.527 173.527 175.566 -2.039 18389 5205 1 6 . 1 1 123 123 PHE CA C 123 58.778 58.778 58.745 0.033 18389 5206 1 6 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.289 -1.742 18389 5207 1 6 . 1 1 123 123 PHE H H 123 7.807 7.807 7.404 0.403 18389 5208 1 6 . 1 1 124 124 ARG N N 124 120.098 120.098 120.978 -0.880 18389 5209 1 6 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.081 0.260 18389 5210 1 6 . 1 1 124 124 ARG C C 124 172.631 172.631 174.923 -2.292 18389 5211 1 6 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.262 -2.937 18389 5212 1 6 . 1 1 124 124 ARG CB C 124 30.721 30.721 35.191 -4.470 18389 5213 1 6 . 1 1 124 124 ARG H H 124 9.297 9.297 9.011 0.286 18389 5214 1 6 . 1 1 125 125 ARG N N 125 126.739 126.739 122.501 4.238 18389 5215 1 6 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.055 -1.093 18389 5216 1 6 . 1 1 125 125 ARG C C 125 174.319 174.319 176.021 -1.702 18389 5217 1 6 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.771 -0.735 18389 5218 1 6 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.583 -3.235 18389 5219 1 6 . 1 1 125 125 ARG H H 125 8.611 8.611 8.501 0.110 18389 5220 1 6 . 1 1 126 126 ARG N N 126 126.556 126.556 125.108 1.448 18389 5221 1 6 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.254 -0.290 18389 5222 1 6 . 1 1 126 126 ARG C C 126 174.021 174.021 175.196 -1.175 18389 5223 1 6 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.992 -0.454 18389 5224 1 6 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.239 -0.500 18389 5225 1 6 . 1 1 126 126 ARG H H 126 7.917 7.917 7.672 0.245 18389 5226 1 6 . 1 1 127 127 LEU N N 127 124.550 124.550 125.504 -0.954 18389 5227 1 6 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.452 0.202 18389 5228 1 6 . 1 1 127 127 LEU C C 127 175.775 175.775 177.209 -1.434 18389 5229 1 6 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.801 -2.593 18389 5230 1 6 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.267 -0.889 18389 5231 1 6 . 1 1 127 127 LEU H H 127 8.817 8.817 8.459 0.358 18389 5232 1 6 . 1 1 128 128 ASP N N 128 116.209 116.209 118.158 -1.949 18389 5233 1 6 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.529 0.020 18389 5234 1 6 . 1 1 128 128 ASP C C 128 172.491 172.491 175.969 -3.478 18389 5235 1 6 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.016 -2.524 18389 5236 1 6 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.338 -4.756 18389 5237 1 6 . 1 1 128 128 ASP H H 128 9.072 9.072 8.303 0.769 18389 5238 1 6 . 1 1 129 129 TYR N N 129 119.329 119.329 119.289 0.040 18389 5239 1 6 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.699 -0.346 18389 5240 1 6 . 1 1 129 129 TYR C C 129 169.992 169.992 173.650 -3.658 18389 5241 1 6 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.433 -1.088 18389 5242 1 6 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.273 -1.826 18389 5243 1 6 . 1 1 129 129 TYR H H 129 7.002 7.002 7.559 -0.557 18389 5244 1 6 . 1 1 130 130 GLN N N 130 121.469 121.469 122.656 -1.187 18389 5245 1 6 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.509 -0.600 18389 5246 1 6 . 1 1 130 130 GLN C C 130 170.223 170.223 172.930 -2.707 18389 5247 1 6 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.142 -2.353 18389 5248 1 6 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.368 -1.743 18389 5249 1 6 . 1 1 130 130 GLN H H 130 6.288 6.288 7.771 -1.483 18389 5250 1 6 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.365 0.045 18389 5251 1 6 . 1 1 132 132 PRO C C 132 175.720 175.720 176.430 -0.710 18389 5252 1 6 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.556 -1.483 18389 5253 1 6 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.541 -3.426 18389 5254 1 6 . 1 1 133 133 GLY N N 133 104.558 104.558 109.071 -4.513 18389 5255 1 6 . 1 1 133 133 GLY C C 133 171.229 171.229 173.101 -1.872 18389 5256 1 6 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.697 -2.182 18389 5257 1 6 . 1 1 133 133 GLY H H 133 8.298 8.298 8.041 0.257 18389 5258 1 6 . 1 1 134 134 GLN N N 134 116.684 116.684 120.852 -4.168 18389 5259 1 6 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.560 -0.193 18389 5260 1 6 . 1 1 134 134 GLN C C 134 172.815 172.815 174.317 -1.502 18389 5261 1 6 . 1 1 134 134 GLN CA C 134 53.804 53.804 53.925 -0.121 18389 5262 1 6 . 1 1 134 134 GLN CB C 134 24.866 24.866 31.174 -6.308 18389 5263 1 6 . 1 1 134 134 GLN H H 134 7.273 7.273 7.871 -0.598 18389 5264 1 6 . 1 1 135 135 ASP N N 135 118.688 118.688 120.070 -1.382 18389 5265 1 6 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.691 -0.329 18389 5266 1 6 . 1 1 135 135 ASP C C 135 174.301 174.301 175.551 -1.250 18389 5267 1 6 . 1 1 135 135 ASP CA C 135 51.810 51.810 53.828 -2.018 18389 5268 1 6 . 1 1 135 135 ASP CB C 135 36.904 36.904 42.343 -5.439 18389 5269 1 6 . 1 1 135 135 ASP H H 135 8.844 8.844 8.499 0.345 18389 5270 1 6 . 1 1 136 136 MET N N 136 114.721 114.721 115.718 -0.997 18389 5271 1 6 . 1 1 136 136 MET HA H 136 4.035 4.035 4.768 -0.733 18389 5272 1 6 . 1 1 136 136 MET C C 136 174.252 174.252 175.227 -0.975 18389 5273 1 6 . 1 1 136 136 MET CA C 136 54.461 54.461 54.808 -0.347 18389 5274 1 6 . 1 1 136 136 MET CB C 136 29.439 29.439 32.930 -3.491 18389 5275 1 6 . 1 1 136 136 MET H H 136 7.585 7.585 8.049 -0.464 18389 5276 1 6 . 1 1 137 137 SER N N 137 118.130 118.130 114.896 3.234 18389 5277 1 6 . 1 1 137 137 SER HA H 137 4.392 4.392 4.432 -0.040 18389 5278 1 6 . 1 1 137 137 SER C C 137 174.811 174.811 176.578 -1.767 18389 5279 1 6 . 1 1 137 137 SER CA C 137 57.841 57.841 59.062 -1.221 18389 5280 1 6 . 1 1 137 137 SER CB C 137 62.369 62.369 63.920 -1.552 18389 5281 1 6 . 1 1 137 137 SER H H 137 9.140 9.140 9.082 0.058 18389 5282 1 6 . 1 1 138 138 GLY N N 138 114.534 114.534 110.969 3.565 18389 5283 1 6 . 1 1 138 138 GLY C C 138 170.903 170.903 174.489 -3.586 18389 5284 1 6 . 1 1 138 138 GLY CA C 138 44.197 44.197 46.152 -1.955 18389 5285 1 6 . 1 1 138 138 GLY H H 138 10.549 10.549 8.979 1.570 18389 5286 1 6 . 1 1 139 139 THR N N 139 112.564 112.564 111.211 1.353 18389 5287 1 6 . 1 1 139 139 THR HA H 139 4.538 4.538 4.520 0.018 18389 5288 1 6 . 1 1 139 139 THR C C 139 168.086 168.086 172.821 -4.735 18389 5289 1 6 . 1 1 139 139 THR CA C 139 57.132 57.132 59.956 -2.824 18389 5290 1 6 . 1 1 139 139 THR CB C 139 68.854 68.854 72.468 -3.614 18389 5291 1 6 . 1 1 139 139 THR H H 139 8.504 8.504 7.724 0.780 18389 5292 1 6 . 1 1 140 140 LEU N N 140 129.971 129.971 123.461 6.510 18389 5293 1 6 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.152 -0.381 18389 5294 1 6 . 1 1 140 140 LEU C C 140 172.175 172.175 175.535 -3.360 18389 5295 1 6 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.644 -2.309 18389 5296 1 6 . 1 1 140 140 LEU CB C 140 35.872 35.872 42.085 -6.213 18389 5297 1 6 . 1 1 140 140 LEU H H 140 7.900 7.900 8.144 -0.244 18389 5298 1 6 . 1 1 141 141 ASP N N 141 132.200 132.200 129.640 2.560 18389 5299 1 6 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.751 -0.047 18389 5300 1 6 . 1 1 141 141 ASP C C 141 172.137 172.137 175.102 -2.965 18389 5301 1 6 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.760 -2.068 18389 5302 1 6 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.193 -2.632 18389 5303 1 6 . 1 1 141 141 ASP H H 141 9.101 9.101 9.605 -0.504 18389 5304 1 6 . 1 1 142 142 LEU N N 142 122.667 122.667 124.420 -1.753 18389 5305 1 6 . 1 1 142 142 LEU HA H 142 3.740 3.740 4.169 -0.429 18389 5306 1 6 . 1 1 142 142 LEU CA C 142 53.747 53.747 54.984 -1.237 18389 5307 1 6 . 1 1 142 142 LEU CB C 142 39.898 39.898 40.502 -0.604 18389 5308 1 6 . 1 1 142 142 LEU H H 142 7.799 7.799 8.381 -0.582 18389 5309 1 6 . 1 1 143 143 ASP N N 143 112.789 112.789 115.803 -3.014 18389 5310 1 6 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.785 0.131 18389 5311 1 6 . 1 1 143 143 ASP C C 143 173.547 173.547 176.192 -2.645 18389 5312 1 6 . 1 1 143 143 ASP CA C 143 51.101 51.101 53.733 -2.632 18389 5313 1 6 . 1 1 143 143 ASP CB C 143 37.298 37.298 42.145 -4.847 18389 5314 1 6 . 1 1 143 143 ASP H H 143 8.473 8.473 7.472 1.001 18389 5315 1 6 . 1 1 144 144 ASN N N 144 120.743 120.743 116.890 3.853 18389 5316 1 6 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.899 0.180 18389 5317 1 6 . 1 1 144 144 ASN C C 144 171.278 171.278 173.209 -1.931 18389 5318 1 6 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.058 -2.584 18389 5319 1 6 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.531 -2.352 18389 5320 1 6 . 1 1 144 144 ASN H H 144 7.867 7.867 8.070 -0.203 18389 5321 1 6 . 1 1 145 145 ILE N N 145 122.844 122.844 120.433 2.411 18389 5322 1 6 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.013 -0.173 18389 5323 1 6 . 1 1 145 145 ILE C C 145 172.420 172.420 175.520 -3.100 18389 5324 1 6 . 1 1 145 145 ILE CA C 145 57.861 57.861 61.016 -3.155 18389 5325 1 6 . 1 1 145 145 ILE CB C 145 33.407 33.407 36.617 -3.210 18389 5326 1 6 . 1 1 145 145 ILE H H 145 8.770 8.770 7.174 1.596 18389 5327 1 6 . 1 1 146 146 ASP N N 146 125.428 125.428 126.934 -1.506 18389 5328 1 6 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.648 0.005 18389 5329 1 6 . 1 1 146 146 ASP C C 146 172.931 172.931 175.635 -2.704 18389 5330 1 6 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.610 -2.258 18389 5331 1 6 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.714 0.198 18389 5332 1 6 . 1 1 146 146 ASP H H 146 9.355 9.355 8.821 0.534 18389 5333 1 6 . 1 1 147 147 SER N N 147 108.442 108.442 111.438 -2.996 18389 5334 1 6 . 1 1 147 147 SER HA H 147 5.054 5.054 5.242 -0.188 18389 5335 1 6 . 1 1 147 147 SER C C 147 169.957 169.957 172.474 -2.517 18389 5336 1 6 . 1 1 147 147 SER CA C 147 54.584 54.584 57.459 -2.875 18389 5337 1 6 . 1 1 147 147 SER CB C 147 62.518 62.518 66.725 -4.207 18389 5338 1 6 . 1 1 147 147 SER H H 147 7.927 7.927 7.870 0.057 18389 5339 1 6 . 1 1 148 148 ILE N N 148 110.150 110.150 114.268 -4.118 18389 5340 1 6 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.194 0.455 18389 5341 1 6 . 1 1 148 148 ILE C C 148 171.932 171.932 173.623 -1.691 18389 5342 1 6 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.109 -2.487 18389 5343 1 6 . 1 1 148 148 ILE CB C 148 38.713 38.713 42.086 -3.373 18389 5344 1 6 . 1 1 148 148 ILE H H 148 8.043 8.043 8.576 -0.533 18389 5345 1 6 . 1 1 149 149 HIS N N 149 118.612 118.612 119.607 -0.995 18389 5346 1 6 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.849 0.641 18389 5347 1 6 . 1 1 149 149 HIS C C 149 174.287 174.287 174.411 -0.124 18389 5348 1 6 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.410 -2.508 18389 5349 1 6 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.980 -1.021 18389 5350 1 6 . 1 1 149 149 HIS H H 149 9.331 9.331 9.108 0.223 18389 5351 1 6 . 1 1 150 150 PHE N N 150 117.037 117.037 121.534 -4.497 18389 5352 1 6 . 1 1 150 150 PHE HA H 150 5.530 5.530 5.219 0.311 18389 5353 1 6 . 1 1 150 150 PHE C C 150 172.808 172.808 175.156 -2.348 18389 5354 1 6 . 1 1 150 150 PHE CA C 150 56.503 56.503 58.093 -1.590 18389 5355 1 6 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.680 -1.400 18389 5356 1 6 . 1 1 150 150 PHE H H 150 8.788 8.788 8.372 0.416 18389 5357 1 6 . 1 1 151 151 MET N N 151 119.781 119.781 119.301 0.480 18389 5358 1 6 . 1 1 151 151 MET HA H 151 4.664 4.664 4.694 -0.030 18389 5359 1 6 . 1 1 151 151 MET C C 151 170.282 170.282 173.969 -3.687 18389 5360 1 6 . 1 1 151 151 MET CA C 151 52.146 52.146 53.872 -1.726 18389 5361 1 6 . 1 1 151 151 MET CB C 151 34.947 34.947 36.459 -1.512 18389 5362 1 6 . 1 1 151 151 MET H H 151 9.761 9.761 9.212 0.549 18389 5363 1 6 . 1 1 152 152 TYR N N 152 117.149 117.149 116.084 1.065 18389 5364 1 6 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.460 -0.384 18389 5365 1 6 . 1 1 152 152 TYR C C 152 171.554 171.554 174.441 -2.887 18389 5366 1 6 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.256 -0.911 18389 5367 1 6 . 1 1 152 152 TYR CB C 152 36.904 36.904 37.959 -1.055 18389 5368 1 6 . 1 1 152 152 TYR H H 152 6.275 6.275 7.959 -1.684 18389 5369 1 6 . 1 1 153 153 ALA N N 153 121.523 121.523 122.842 -1.319 18389 5370 1 6 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.394 -0.231 18389 5371 1 6 . 1 1 153 153 ALA C C 153 173.777 173.777 176.180 -2.403 18389 5372 1 6 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.615 -2.430 18389 5373 1 6 . 1 1 153 153 ALA CB C 153 19.965 19.965 20.345 -0.380 18389 5374 1 6 . 1 1 153 153 ALA H H 153 10.019 10.019 8.013 2.006 18389 5375 1 6 . 1 1 154 154 ASN N N 154 114.643 114.643 116.567 -1.924 18389 5376 1 6 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.810 0.374 18389 5377 1 6 . 1 1 154 154 ASN C C 154 173.267 173.267 173.140 0.127 18389 5378 1 6 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.809 -2.894 18389 5379 1 6 . 1 1 154 154 ASN CB C 154 36.713 36.713 41.037 -4.324 18389 5380 1 6 . 1 1 154 154 ASN H H 154 8.141 8.141 7.611 0.530 18389 5381 1 6 . 1 1 156 156 LYS N N 156 119.099 119.099 123.261 -4.162 18389 5382 1 6 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.395 0.343 18389 5383 1 6 . 1 1 156 156 LYS C C 156 173.965 173.965 176.211 -2.246 18389 5384 1 6 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.528 -2.656 18389 5385 1 6 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.036 -2.610 18389 5386 1 6 . 1 1 156 156 LYS H H 156 8.298 8.298 8.599 -0.301 18389 5387 1 6 . 1 1 157 157 SER N N 157 115.584 115.584 117.020 -1.436 18389 5388 1 6 . 1 1 157 157 SER HA H 157 5.055 5.055 4.487 0.568 18389 5389 1 6 . 1 1 157 157 SER C C 157 169.925 169.925 174.382 -4.457 18389 5390 1 6 . 1 1 157 157 SER CA C 157 55.617 55.617 59.720 -4.103 18389 5391 1 6 . 1 1 157 157 SER CB C 157 63.180 63.180 63.940 -0.760 18389 5392 1 6 . 1 1 157 157 SER H H 157 8.240 8.240 8.504 -0.264 18389 5393 1 6 . 1 1 158 158 GLY N N 158 108.219 108.219 108.829 -0.610 18389 5394 1 6 . 1 1 158 158 GLY C C 158 168.322 168.322 171.246 -2.924 18389 5395 1 6 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.024 -1.459 18389 5396 1 6 . 1 1 158 158 GLY H H 158 6.942 6.942 7.695 -0.753 18389 5397 1 6 . 1 1 159 159 LYS N N 159 116.608 116.608 118.310 -1.702 18389 5398 1 6 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.077 0.444 18389 5399 1 6 . 1 1 159 159 LYS C C 159 172.966 172.966 175.047 -2.081 18389 5400 1 6 . 1 1 159 159 LYS CA C 159 53.141 53.141 55.251 -2.110 18389 5401 1 6 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.706 -2.001 18389 5402 1 6 . 1 1 159 159 LYS H H 159 7.925 7.925 8.360 -0.435 18389 5403 1 6 . 1 1 160 160 PHE N N 160 121.804 121.804 119.498 2.306 18389 5404 1 6 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.267 0.258 18389 5405 1 6 . 1 1 160 160 PHE C C 160 168.125 168.125 172.464 -4.339 18389 5406 1 6 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.029 -2.714 18389 5407 1 6 . 1 1 160 160 PHE CB C 160 39.051 39.051 42.366 -3.315 18389 5408 1 6 . 1 1 160 160 PHE H H 160 8.834 8.834 8.940 -0.106 18389 5409 1 6 . 1 1 161 161 VAL N N 161 119.787 119.787 119.050 0.737 18389 5410 1 6 . 1 1 161 161 VAL HA H 161 5.378 5.378 4.796 0.582 18389 5411 1 6 . 1 1 161 161 VAL C C 161 170.736 170.736 174.672 -3.936 18389 5412 1 6 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.194 -3.538 18389 5413 1 6 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.236 -3.299 18389 5414 1 6 . 1 1 161 161 VAL H H 161 9.277 9.277 8.427 0.850 18389 5415 1 6 . 1 1 162 162 VAL N N 162 121.357 121.357 125.318 -3.961 18389 5416 1 6 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.302 0.665 18389 5417 1 6 . 1 1 162 162 VAL C C 162 170.928 170.928 174.657 -3.729 18389 5418 1 6 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.273 -3.587 18389 5419 1 6 . 1 1 162 162 VAL CB C 162 33.842 33.842 34.401 -0.559 18389 5420 1 6 . 1 1 162 162 VAL H H 162 8.453 8.453 8.802 -0.349 18389 5421 1 6 . 1 1 163 163 ASP N N 163 119.088 119.088 122.563 -3.475 18389 5422 1 6 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.317 0.262 18389 5423 1 6 . 1 1 163 163 ASP C C 163 172.563 172.563 174.811 -2.248 18389 5424 1 6 . 1 1 163 163 ASP CA C 163 49.482 49.482 53.408 -3.926 18389 5425 1 6 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.230 -2.767 18389 5426 1 6 . 1 1 163 163 ASP H H 163 9.233 9.233 8.345 0.888 18389 5427 1 6 . 1 1 164 164 ASN N N 164 117.316 117.316 117.143 0.173 18389 5428 1 6 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.568 0.081 18389 5429 1 6 . 1 1 164 164 ASN C C 164 170.940 170.940 174.588 -3.648 18389 5430 1 6 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.553 -1.881 18389 5431 1 6 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.830 -2.435 18389 5432 1 6 . 1 1 164 164 ASN H H 164 9.864 9.864 8.885 0.979 18389 5433 1 6 . 1 1 165 165 ILE N N 165 118.660 118.660 119.911 -1.251 18389 5434 1 6 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.744 0.695 18389 5435 1 6 . 1 1 165 165 ILE C C 165 173.336 173.336 175.411 -2.075 18389 5436 1 6 . 1 1 165 165 ILE CA C 165 59.155 59.155 61.821 -2.666 18389 5437 1 6 . 1 1 165 165 ILE CB C 165 35.187 35.187 38.194 -3.007 18389 5438 1 6 . 1 1 165 165 ILE H H 165 8.716 8.716 8.261 0.455 18389 5439 1 6 . 1 1 166 166 LYS N N 166 127.896 127.896 125.202 2.694 18389 5440 1 6 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.140 0.038 18389 5441 1 6 . 1 1 166 166 LYS C C 166 170.453 170.453 174.451 -3.998 18389 5442 1 6 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.082 -1.558 18389 5443 1 6 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.686 -1.440 18389 5444 1 6 . 1 1 166 166 LYS H H 166 9.921 9.921 9.140 0.781 18389 5445 1 6 . 1 1 167 167 LEU N N 167 120.747 120.747 122.653 -1.906 18389 5446 1 6 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.798 0.038 18389 5447 1 6 . 1 1 167 167 LEU C C 167 173.703 173.703 174.366 -0.663 18389 5448 1 6 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.177 -2.598 18389 5449 1 6 . 1 1 167 167 LEU CB C 167 40.711 40.711 45.214 -4.503 18389 5450 1 6 . 1 1 167 167 LEU H H 167 8.552 8.552 8.780 -0.228 18389 5451 1 6 . 1 1 168 168 ILE N N 168 116.914 116.914 124.707 -7.793 18389 5452 1 6 . 1 1 168 168 ILE HA H 168 4.989 4.989 5.141 -0.152 18389 5453 1 6 . 1 1 168 168 ILE C C 168 173.923 173.923 176.231 -2.308 18389 5454 1 6 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.162 -0.786 18389 5455 1 6 . 1 1 168 168 ILE CB C 168 38.938 38.938 38.902 0.036 18389 5456 1 6 . 1 1 168 168 ILE H H 168 8.523 8.523 9.116 -0.593 18389 5457 1 6 . 1 1 169 169 GLY N N 169 114.527 114.527 115.354 -0.827 18389 5458 1 6 . 1 1 169 169 GLY C C 169 169.252 169.252 173.723 -4.471 18389 5459 1 6 . 1 1 169 169 GLY CA C 169 42.925 42.925 45.144 -2.219 18389 5460 1 6 . 1 1 169 169 GLY H H 169 8.942 8.942 9.018 -0.076 18389 5461 1 6 . 1 1 170 170 ALA N N 170 123.678 123.678 122.262 1.416 18389 5462 1 6 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.634 -0.210 18389 5463 1 6 . 1 1 170 170 ALA C C 170 174.985 174.985 176.302 -1.317 18389 5464 1 6 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.793 -2.449 18389 5465 1 6 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.587 -3.500 18389 5466 1 6 . 1 1 170 170 ALA H H 170 8.321 8.321 7.601 0.720 18389 5467 1 6 . 1 1 171 171 LEU N N 171 122.139 122.139 120.818 1.321 18389 5468 1 6 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.681 -0.276 18389 5469 1 6 . 1 1 171 171 LEU C C 171 174.478 174.478 175.602 -1.124 18389 5470 1 6 . 1 1 171 171 LEU CA C 171 52.634 52.634 55.267 -2.633 18389 5471 1 6 . 1 1 171 171 LEU CB C 171 40.111 40.111 42.333 -2.221 18389 5472 1 6 . 1 1 171 171 LEU H H 171 8.182 8.182 8.295 -0.113 18389 5473 1 7 . 1 1 2 2 ALA N N 2 119.048 119.048 124.130 -5.082 18389 5474 1 7 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.740 -0.456 18389 5475 1 7 . 1 1 2 2 ALA C C 2 174.144 174.144 177.720 -3.576 18389 5476 1 7 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.838 -3.455 18389 5477 1 7 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.167 -0.338 18389 5478 1 7 . 1 1 2 2 ALA H H 2 9.577 9.577 8.389 1.188 18389 5479 1 7 . 1 1 3 3 SER N N 3 114.278 114.278 117.110 -2.832 18389 5480 1 7 . 1 1 3 3 SER C C 3 173.040 173.040 174.963 -1.923 18389 5481 1 7 . 1 1 3 3 SER H H 3 8.152 8.152 8.517 -0.365 18389 5482 1 7 . 1 1 6 6 GLY N N 6 112.362 112.362 109.826 2.536 18389 5483 1 7 . 1 1 6 6 GLY C C 6 170.686 170.686 173.436 -2.750 18389 5484 1 7 . 1 1 6 6 GLY CA C 6 43.313 43.313 44.747 -1.434 18389 5485 1 7 . 1 1 6 6 GLY H H 6 8.750 8.750 8.488 0.262 18389 5486 1 7 . 1 1 7 7 GLU N N 7 117.722 117.722 118.082 -0.360 18389 5487 1 7 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.851 0.578 18389 5488 1 7 . 1 1 7 7 GLU C C 7 172.744 172.744 174.350 -1.606 18389 5489 1 7 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.829 -2.581 18389 5490 1 7 . 1 1 7 7 GLU CB C 7 31.170 31.170 32.685 -1.515 18389 5491 1 7 . 1 1 7 7 GLU H H 7 8.078 8.078 7.929 0.149 18389 5492 1 7 . 1 1 8 8 LYS N N 8 122.832 122.832 120.897 1.935 18389 5493 1 7 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.583 -0.044 18389 5494 1 7 . 1 1 8 8 LYS C C 8 171.963 171.963 174.916 -2.953 18389 5495 1 7 . 1 1 8 8 LYS CA C 8 52.565 52.565 55.074 -2.509 18389 5496 1 7 . 1 1 8 8 LYS CB C 8 33.185 33.185 34.752 -1.567 18389 5497 1 7 . 1 1 8 8 LYS H H 8 8.434 8.434 7.962 0.472 18389 5498 1 7 . 1 1 9 9 MET N N 9 128.562 128.562 125.951 2.611 18389 5499 1 7 . 1 1 9 9 MET HA H 9 4.536 4.536 4.281 0.255 18389 5500 1 7 . 1 1 9 9 MET C C 9 172.911 172.911 175.747 -2.836 18389 5501 1 7 . 1 1 9 9 MET CA C 9 53.012 53.012 55.590 -2.578 18389 5502 1 7 . 1 1 9 9 MET CB C 9 28.376 28.376 33.054 -4.678 18389 5503 1 7 . 1 1 9 9 MET H H 9 8.984 8.984 8.780 0.204 18389 5504 1 7 . 1 1 10 10 LEU N N 10 129.881 129.881 126.156 3.725 18389 5505 1 7 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.608 0.056 18389 5506 1 7 . 1 1 10 10 LEU C C 10 174.887 174.887 177.062 -2.175 18389 5507 1 7 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.895 -2.682 18389 5508 1 7 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.406 -3.007 18389 5509 1 7 . 1 1 10 10 LEU H H 10 9.751 9.751 8.967 0.784 18389 5510 1 7 . 1 1 11 11 ASP N N 11 115.516 115.516 117.579 -2.063 18389 5511 1 7 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.822 -0.099 18389 5512 1 7 . 1 1 11 11 ASP C C 11 170.836 170.836 174.120 -3.284 18389 5513 1 7 . 1 1 11 11 ASP CA C 11 53.583 53.583 52.945 0.638 18389 5514 1 7 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.541 -3.322 18389 5515 1 7 . 1 1 11 11 ASP H H 11 8.110 8.110 7.672 0.438 18389 5516 1 7 . 1 1 12 12 ASP N N 12 124.144 124.144 120.162 3.982 18389 5517 1 7 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.727 0.124 18389 5518 1 7 . 1 1 12 12 ASP C C 12 175.055 175.055 176.749 -1.694 18389 5519 1 7 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.916 -2.606 18389 5520 1 7 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.683 -3.488 18389 5521 1 7 . 1 1 12 12 ASP H H 12 8.053 8.053 8.577 -0.524 18389 5522 1 7 . 1 1 13 13 PHE N N 13 117.584 117.584 114.480 3.104 18389 5523 1 7 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.070 0.202 18389 5524 1 7 . 1 1 13 13 PHE C C 13 171.960 171.960 175.359 -3.399 18389 5525 1 7 . 1 1 13 13 PHE CA C 13 58.913 58.913 60.018 -1.105 18389 5526 1 7 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.312 -4.137 18389 5527 1 7 . 1 1 13 13 PHE H H 13 9.327 9.327 8.395 0.932 18389 5528 1 7 . 1 1 14 14 GLU N N 14 113.122 113.122 118.505 -5.383 18389 5529 1 7 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.454 0.595 18389 5530 1 7 . 1 1 14 14 GLU C C 14 175.300 175.300 178.219 -2.919 18389 5531 1 7 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.855 -5.874 18389 5532 1 7 . 1 1 14 14 GLU CB C 14 24.994 24.994 30.055 -5.061 18389 5533 1 7 . 1 1 14 14 GLU H H 14 8.165 8.165 8.138 0.027 18389 5534 1 7 . 1 1 15 15 GLY N N 15 110.108 110.108 107.746 2.362 18389 5535 1 7 . 1 1 15 15 GLY C C 15 171.609 171.609 174.558 -2.949 18389 5536 1 7 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.934 -3.080 18389 5537 1 7 . 1 1 15 15 GLY H H 15 8.117 8.117 7.972 0.145 18389 5538 1 7 . 1 1 16 16 VAL N N 16 121.792 121.792 121.153 0.639 18389 5539 1 7 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.121 0.150 18389 5540 1 7 . 1 1 16 16 VAL C C 16 173.203 173.203 175.876 -2.673 18389 5541 1 7 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.306 -3.023 18389 5542 1 7 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.943 -2.742 18389 5543 1 7 . 1 1 16 16 VAL H H 16 8.190 8.190 8.103 0.087 18389 5544 1 7 . 1 1 17 17 LEU N N 17 124.682 124.682 126.666 -1.984 18389 5545 1 7 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.673 0.225 18389 5546 1 7 . 1 1 17 17 LEU C C 17 174.685 174.685 176.584 -1.899 18389 5547 1 7 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.498 -2.700 18389 5548 1 7 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.874 -3.738 18389 5549 1 7 . 1 1 17 17 LEU H H 17 8.500 8.500 8.501 -0.001 18389 5550 1 7 . 1 1 18 18 ASN N N 18 127.589 127.589 122.551 5.038 18389 5551 1 7 . 1 1 18 18 ASN HA H 18 5.147 5.147 5.023 0.124 18389 5552 1 7 . 1 1 18 18 ASN C C 18 171.583 171.583 173.785 -2.202 18389 5553 1 7 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.303 -1.325 18389 5554 1 7 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.667 -1.524 18389 5555 1 7 . 1 1 18 18 ASN H H 18 9.956 9.956 9.074 0.882 18389 5556 1 7 . 1 1 19 19 TRP N N 19 119.913 119.913 120.073 -0.160 18389 5557 1 7 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.802 -0.744 18389 5558 1 7 . 1 1 19 19 TRP C C 19 174.918 174.918 176.616 -1.698 18389 5559 1 7 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.248 -0.872 18389 5560 1 7 . 1 1 19 19 TRP CB C 19 27.400 27.400 32.953 -5.553 18389 5561 1 7 . 1 1 19 19 TRP H H 19 7.057 7.057 7.729 -0.672 18389 5562 1 7 . 1 1 20 20 GLY N N 20 112.934 112.934 109.539 3.395 18389 5563 1 7 . 1 1 20 20 GLY C C 20 171.436 171.436 172.081 -0.645 18389 5564 1 7 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.206 -4.266 18389 5565 1 7 . 1 1 20 20 GLY H H 20 9.622 9.622 8.838 0.784 18389 5566 1 7 . 1 1 21 21 SER N N 21 114.752 114.752 114.836 -0.084 18389 5567 1 7 . 1 1 21 21 SER HA H 21 5.686 5.686 4.962 0.724 18389 5568 1 7 . 1 1 21 21 SER C C 21 170.314 170.314 173.065 -2.751 18389 5569 1 7 . 1 1 21 21 SER CA C 21 55.911 55.911 57.341 -1.430 18389 5570 1 7 . 1 1 21 21 SER CB C 21 64.070 64.070 67.085 -3.015 18389 5571 1 7 . 1 1 21 21 SER H H 21 8.899 8.899 8.286 0.613 18389 5572 1 7 . 1 1 22 22 TYR N N 22 118.001 118.001 119.308 -1.307 18389 5573 1 7 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.998 0.302 18389 5574 1 7 . 1 1 22 22 TYR C C 22 170.760 170.760 173.015 -2.255 18389 5575 1 7 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.233 -3.583 18389 5576 1 7 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.651 -2.827 18389 5577 1 7 . 1 1 22 22 TYR H H 22 8.807 8.807 8.523 0.284 18389 5578 1 7 . 1 1 23 23 SER N N 23 109.826 109.826 114.892 -5.066 18389 5579 1 7 . 1 1 23 23 SER HA H 23 4.912 4.912 5.031 -0.119 18389 5580 1 7 . 1 1 23 23 SER C C 23 169.918 169.918 173.271 -3.353 18389 5581 1 7 . 1 1 23 23 SER CA C 23 55.664 55.664 57.070 -1.406 18389 5582 1 7 . 1 1 23 23 SER CB C 23 62.361 62.361 66.413 -4.052 18389 5583 1 7 . 1 1 23 23 SER H H 23 8.435 8.435 8.263 0.172 18389 5584 1 7 . 1 1 24 24 GLY N N 24 103.788 103.788 106.430 -2.642 18389 5585 1 7 . 1 1 24 24 GLY C C 24 170.240 170.240 174.388 -4.148 18389 5586 1 7 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.365 -2.598 18389 5587 1 7 . 1 1 24 24 GLY H H 24 7.339 7.339 7.757 -0.418 18389 5588 1 7 . 1 1 25 25 GLU N N 25 116.420 116.420 121.463 -5.043 18389 5589 1 7 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.648 -0.539 18389 5590 1 7 . 1 1 25 25 GLU C C 25 173.683 173.683 176.307 -2.624 18389 5591 1 7 . 1 1 25 25 GLU CA C 25 53.687 53.687 55.441 -1.754 18389 5592 1 7 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.740 -4.594 18389 5593 1 7 . 1 1 25 25 GLU H H 25 8.962 8.962 7.370 1.592 18389 5594 1 7 . 1 1 26 26 GLY N N 26 106.660 106.660 112.391 -5.731 18389 5595 1 7 . 1 1 26 26 GLY C C 26 171.638 171.638 174.306 -2.668 18389 5596 1 7 . 1 1 26 26 GLY CA C 26 43.173 43.173 46.042 -2.869 18389 5597 1 7 . 1 1 26 26 GLY H H 26 8.483 8.483 8.731 -0.248 18389 5598 1 7 . 1 1 27 27 ALA N N 27 123.407 123.407 123.846 -0.439 18389 5599 1 7 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.352 0.295 18389 5600 1 7 . 1 1 27 27 ALA C C 27 174.232 174.232 176.103 -1.871 18389 5601 1 7 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.760 -2.197 18389 5602 1 7 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.909 -3.371 18389 5603 1 7 . 1 1 27 27 ALA H H 27 7.182 7.182 7.738 -0.556 18389 5604 1 7 . 1 1 28 28 LYS N N 28 117.590 117.590 119.671 -2.081 18389 5605 1 7 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.686 0.206 18389 5606 1 7 . 1 1 28 28 LYS C C 28 171.365 171.365 174.388 -3.023 18389 5607 1 7 . 1 1 28 28 LYS CA C 28 52.419 52.419 56.216 -3.797 18389 5608 1 7 . 1 1 28 28 LYS CB C 28 34.544 34.544 37.009 -2.465 18389 5609 1 7 . 1 1 28 28 LYS H H 28 8.650 8.650 8.837 -0.187 18389 5610 1 7 . 1 1 29 29 VAL N N 29 118.148 118.148 123.595 -5.447 18389 5611 1 7 . 1 1 29 29 VAL HA H 29 5.241 5.241 5.221 0.020 18389 5612 1 7 . 1 1 29 29 VAL C C 29 169.809 169.809 174.416 -4.607 18389 5613 1 7 . 1 1 29 29 VAL CA C 29 57.083 57.083 59.690 -2.607 18389 5614 1 7 . 1 1 29 29 VAL CB C 29 31.475 31.475 35.505 -4.030 18389 5615 1 7 . 1 1 29 29 VAL H H 29 8.327 8.327 8.523 -0.196 18389 5616 1 7 . 1 1 30 30 SER N N 30 120.964 120.964 122.069 -1.105 18389 5617 1 7 . 1 1 30 30 SER HA H 30 4.993 4.993 4.801 0.192 18389 5618 1 7 . 1 1 30 30 SER C C 30 170.354 170.354 172.934 -2.580 18389 5619 1 7 . 1 1 30 30 SER CA C 30 54.438 54.438 57.765 -3.327 18389 5620 1 7 . 1 1 30 30 SER CB C 30 63.262 63.262 65.291 -2.029 18389 5621 1 7 . 1 1 30 30 SER H H 30 8.797 8.797 8.956 -0.159 18389 5622 1 7 . 1 1 31 31 THR N N 31 112.970 112.970 113.103 -0.133 18389 5623 1 7 . 1 1 31 31 THR HA H 31 5.618 5.618 5.191 0.427 18389 5624 1 7 . 1 1 31 31 THR C C 31 171.857 171.857 174.329 -2.472 18389 5625 1 7 . 1 1 31 31 THR CA C 31 56.212 56.212 60.247 -4.035 18389 5626 1 7 . 1 1 31 31 THR CB C 31 69.719 69.719 71.071 -1.352 18389 5627 1 7 . 1 1 31 31 THR H H 31 8.384 8.384 8.090 0.294 18389 5628 1 7 . 1 1 32 32 LYS N N 32 119.710 119.710 121.420 -1.710 18389 5629 1 7 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.625 0.101 18389 5630 1 7 . 1 1 32 32 LYS C C 32 171.734 171.734 175.024 -3.290 18389 5631 1 7 . 1 1 32 32 LYS CA C 32 52.973 52.973 55.011 -2.038 18389 5632 1 7 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.590 -2.496 18389 5633 1 7 . 1 1 32 32 LYS H H 32 8.530 8.530 8.739 -0.209 18389 5634 1 7 . 1 1 33 33 ILE N N 33 124.276 124.276 122.784 1.492 18389 5635 1 7 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.328 0.646 18389 5636 1 7 . 1 1 33 33 ILE C C 33 173.578 173.578 175.500 -1.922 18389 5637 1 7 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.408 -2.969 18389 5638 1 7 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.660 -5.197 18389 5639 1 7 . 1 1 33 33 ILE H H 33 8.669 8.669 8.426 0.243 18389 5640 1 7 . 1 1 34 34 VAL N N 34 121.698 121.698 123.106 -1.408 18389 5641 1 7 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.582 0.285 18389 5642 1 7 . 1 1 34 34 VAL C C 34 172.702 172.702 174.749 -2.047 18389 5643 1 7 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.211 -2.552 18389 5644 1 7 . 1 1 34 34 VAL CB C 34 33.909 33.909 35.233 -1.324 18389 5645 1 7 . 1 1 34 34 VAL H H 34 8.463 8.463 8.120 0.343 18389 5646 1 7 . 1 1 35 35 SER N N 35 115.704 115.704 117.712 -2.008 18389 5647 1 7 . 1 1 35 35 SER HA H 35 4.590 4.590 4.497 0.093 18389 5648 1 7 . 1 1 35 35 SER CA C 35 58.345 58.345 59.339 -0.994 18389 5649 1 7 . 1 1 35 35 SER CB C 35 60.619 60.619 63.066 -2.447 18389 5650 1 7 . 1 1 35 35 SER H H 35 8.271 8.271 8.431 -0.160 18389 5651 1 7 . 1 1 36 36 GLY N N 36 113.970 113.970 111.657 2.313 18389 5652 1 7 . 1 1 36 36 GLY C C 36 170.257 170.257 173.033 -2.776 18389 5653 1 7 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.853 -3.155 18389 5654 1 7 . 1 1 36 36 GLY H H 36 9.267 9.267 7.656 1.611 18389 5655 1 7 . 1 1 37 37 LYS N N 37 129.227 129.227 117.332 11.895 18389 5656 1 7 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.721 -0.366 18389 5657 1 7 . 1 1 37 37 LYS C C 37 174.912 174.912 176.716 -1.804 18389 5658 1 7 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.115 -2.560 18389 5659 1 7 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.520 -3.111 18389 5660 1 7 . 1 1 37 37 LYS H H 37 8.484 8.484 7.448 1.036 18389 5661 1 7 . 1 1 38 38 THR N N 38 109.924 109.924 111.464 -1.540 18389 5662 1 7 . 1 1 38 38 THR HA H 38 4.398 4.398 4.369 0.029 18389 5663 1 7 . 1 1 38 38 THR C C 38 171.818 171.818 173.992 -2.174 18389 5664 1 7 . 1 1 38 38 THR CA C 38 57.223 57.223 61.695 -4.472 18389 5665 1 7 . 1 1 38 38 THR CB C 38 67.805 67.805 70.635 -2.829 18389 5666 1 7 . 1 1 38 38 THR H H 38 7.549 7.549 7.565 -0.016 18389 5667 1 7 . 1 1 40 40 ASN N N 40 129.674 129.674 122.168 7.506 18389 5668 1 7 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.081 0.442 18389 5669 1 7 . 1 1 40 40 ASN C C 40 173.717 173.717 174.932 -1.215 18389 5670 1 7 . 1 1 40 40 ASN CA C 40 50.322 50.322 51.958 -1.636 18389 5671 1 7 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.219 -3.031 18389 5672 1 7 . 1 1 40 40 ASN H H 40 10.958 10.958 8.889 2.069 18389 5673 1 7 . 1 1 41 41 GLY N N 41 111.261 111.261 106.932 4.329 18389 5674 1 7 . 1 1 41 41 GLY C C 41 166.652 166.652 173.009 -6.357 18389 5675 1 7 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.712 -2.001 18389 5676 1 7 . 1 1 41 41 GLY H H 41 9.674 9.674 8.752 0.922 18389 5677 1 7 . 1 1 42 42 MET N N 42 119.165 119.165 119.471 -0.306 18389 5678 1 7 . 1 1 42 42 MET HA H 42 4.849 4.849 4.894 -0.045 18389 5679 1 7 . 1 1 42 42 MET C C 42 171.154 171.154 173.533 -2.379 18389 5680 1 7 . 1 1 42 42 MET CA C 42 51.503 51.503 53.105 -1.602 18389 5681 1 7 . 1 1 42 42 MET CB C 42 33.293 33.293 34.827 -1.534 18389 5682 1 7 . 1 1 42 42 MET H H 42 7.550 7.550 8.230 -0.680 18389 5683 1 7 . 1 1 43 43 GLU N N 43 128.221 128.221 127.974 0.247 18389 5684 1 7 . 1 1 43 43 GLU HA H 43 4.866 4.866 4.836 0.030 18389 5685 1 7 . 1 1 43 43 GLU C C 43 172.612 172.612 174.141 -1.529 18389 5686 1 7 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.458 -2.779 18389 5687 1 7 . 1 1 43 43 GLU CB C 43 30.396 30.396 32.992 -2.596 18389 5688 1 7 . 1 1 43 43 GLU H H 43 9.355 9.355 8.785 0.570 18389 5689 1 7 . 1 1 44 44 VAL N N 44 131.011 131.011 125.855 5.156 18389 5690 1 7 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.715 -0.353 18389 5691 1 7 . 1 1 44 44 VAL C C 44 171.752 171.752 173.064 -1.312 18389 5692 1 7 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.337 -1.002 18389 5693 1 7 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.192 -5.242 18389 5694 1 7 . 1 1 44 44 VAL H H 44 9.002 9.002 8.795 0.207 18389 5695 1 7 . 1 1 45 45 SER N N 45 120.764 120.764 123.637 -2.873 18389 5696 1 7 . 1 1 45 45 SER HA H 45 4.975 4.975 4.972 0.003 18389 5697 1 7 . 1 1 45 45 SER C C 45 170.500 170.500 172.405 -1.905 18389 5698 1 7 . 1 1 45 45 SER CA C 45 53.547 53.547 56.318 -2.771 18389 5699 1 7 . 1 1 45 45 SER CB C 45 61.650 61.650 64.974 -3.324 18389 5700 1 7 . 1 1 45 45 SER H H 45 8.511 8.511 8.807 -0.296 18389 5701 1 7 . 1 1 46 46 TYR N N 46 123.478 123.478 123.695 -0.217 18389 5702 1 7 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.421 -0.146 18389 5703 1 7 . 1 1 46 46 TYR C C 46 171.644 171.644 173.394 -1.750 18389 5704 1 7 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.864 -3.629 18389 5705 1 7 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.278 -3.813 18389 5706 1 7 . 1 1 46 46 TYR H H 46 8.511 8.511 9.054 -0.543 18389 5707 1 7 . 1 1 47 47 THR N N 47 118.641 118.641 119.515 -0.874 18389 5708 1 7 . 1 1 47 47 THR HA H 47 4.793 4.793 4.064 0.729 18389 5709 1 7 . 1 1 47 47 THR C C 47 171.614 171.614 173.770 -2.156 18389 5710 1 7 . 1 1 47 47 THR CA C 47 58.267 58.267 61.816 -3.549 18389 5711 1 7 . 1 1 47 47 THR CB C 47 68.820 68.820 69.589 -0.769 18389 5712 1 7 . 1 1 47 47 THR H H 47 8.935 8.935 8.755 0.180 18389 5713 1 7 . 1 1 48 48 GLY N N 48 112.467 112.467 112.839 -0.372 18389 5714 1 7 . 1 1 48 48 GLY C C 48 170.521 170.521 171.855 -1.334 18389 5715 1 7 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.027 -0.951 18389 5716 1 7 . 1 1 48 48 GLY H H 48 7.723 7.723 8.048 -0.325 18389 5717 1 7 . 1 1 49 49 THR N N 49 106.823 106.823 108.585 -1.762 18389 5718 1 7 . 1 1 49 49 THR HA H 49 4.913 4.913 4.431 0.482 18389 5719 1 7 . 1 1 49 49 THR C C 49 172.529 172.529 175.152 -2.623 18389 5720 1 7 . 1 1 49 49 THR CA C 49 57.385 57.385 59.785 -2.401 18389 5721 1 7 . 1 1 49 49 THR CB C 49 69.609 69.609 72.465 -2.856 18389 5722 1 7 . 1 1 49 49 THR H H 49 8.019 8.019 6.721 1.298 18389 5723 1 7 . 1 1 51 51 ASP N N 51 118.095 118.095 118.425 -0.330 18389 5724 1 7 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.944 0.060 18389 5725 1 7 . 1 1 51 51 ASP C C 51 172.913 172.913 176.159 -3.246 18389 5726 1 7 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.826 -1.581 18389 5727 1 7 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.611 -2.841 18389 5728 1 7 . 1 1 51 51 ASP H H 51 8.613 8.613 8.101 0.512 18389 5729 1 7 . 1 1 52 52 GLY N N 52 107.075 107.075 108.138 -1.063 18389 5730 1 7 . 1 1 52 52 GLY C C 52 169.748 169.748 172.548 -2.800 18389 5731 1 7 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.618 -1.712 18389 5732 1 7 . 1 1 52 52 GLY H H 52 7.651 7.651 7.872 -0.221 18389 5733 1 7 . 1 1 53 53 TYR N N 53 112.556 112.556 113.935 -1.379 18389 5734 1 7 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.278 -0.657 18389 5735 1 7 . 1 1 53 53 TYR C C 53 169.219 169.219 172.837 -3.618 18389 5736 1 7 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.987 -4.881 18389 5737 1 7 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.451 -1.421 18389 5738 1 7 . 1 1 53 53 TYR H H 53 6.918 6.918 7.750 -0.832 18389 5739 1 7 . 1 1 54 54 TRP N N 54 112.748 112.748 118.994 -6.246 18389 5740 1 7 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.787 -0.408 18389 5741 1 7 . 1 1 54 54 TRP C C 54 171.085 171.085 174.908 -3.823 18389 5742 1 7 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.669 -3.409 18389 5743 1 7 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.319 -2.344 18389 5744 1 7 . 1 1 54 54 TRP H H 54 6.406 6.406 7.976 -1.570 18389 5745 1 7 . 1 1 55 55 GLY N N 55 108.552 108.552 105.984 2.568 18389 5746 1 7 . 1 1 55 55 GLY C C 55 168.023 168.023 171.458 -3.435 18389 5747 1 7 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.502 -2.054 18389 5748 1 7 . 1 1 55 55 GLY H H 55 8.689 8.689 8.416 0.273 18389 5749 1 7 . 1 1 56 56 THR N N 56 113.376 113.376 115.128 -1.752 18389 5750 1 7 . 1 1 56 56 THR HA H 56 5.868 5.868 4.853 1.016 18389 5751 1 7 . 1 1 56 56 THR C C 56 170.376 170.376 172.412 -2.036 18389 5752 1 7 . 1 1 56 56 THR CA C 56 57.238 57.238 61.214 -3.976 18389 5753 1 7 . 1 1 56 56 THR CB C 56 69.053 69.053 70.709 -1.656 18389 5754 1 7 . 1 1 56 56 THR H H 56 9.518 9.518 8.283 1.235 18389 5755 1 7 . 1 1 57 57 VAL N N 57 123.361 123.361 125.495 -2.134 18389 5756 1 7 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.525 0.928 18389 5757 1 7 . 1 1 57 57 VAL C C 57 169.082 169.082 173.708 -4.626 18389 5758 1 7 . 1 1 57 57 VAL CA C 57 56.049 56.049 60.791 -4.742 18389 5759 1 7 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.529 -2.182 18389 5760 1 7 . 1 1 57 57 VAL H H 57 8.956 8.956 8.769 0.187 18389 5761 1 7 . 1 1 58 58 TYR N N 58 131.224 131.224 128.191 3.033 18389 5762 1 7 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.340 0.236 18389 5763 1 7 . 1 1 58 58 TYR C C 58 172.050 172.050 174.026 -1.976 18389 5764 1 7 . 1 1 58 58 TYR CA C 58 51.582 51.582 53.826 -2.244 18389 5765 1 7 . 1 1 58 58 TYR CB C 58 34.961 34.961 39.151 -4.190 18389 5766 1 7 . 1 1 58 58 TYR H H 58 8.641 8.641 8.783 -0.142 18389 5767 1 7 . 1 1 59 59 SER N N 59 123.126 123.126 125.144 -2.018 18389 5768 1 7 . 1 1 59 59 SER HA H 59 4.304 4.304 4.494 -0.190 18389 5769 1 7 . 1 1 59 59 SER C C 59 170.891 170.891 173.565 -2.674 18389 5770 1 7 . 1 1 59 59 SER CA C 59 55.452 55.452 57.426 -1.974 18389 5771 1 7 . 1 1 59 59 SER CB C 59 60.048 60.048 62.600 -2.552 18389 5772 1 7 . 1 1 59 59 SER H H 59 8.217 8.217 8.382 -0.165 18389 5773 1 7 . 1 1 60 60 LEU N N 60 126.809 126.809 124.998 1.811 18389 5774 1 7 . 1 1 60 60 LEU HA H 60 4.253 4.253 3.924 0.329 18389 5775 1 7 . 1 1 60 60 LEU C C 60 173.994 173.994 175.958 -1.964 18389 5776 1 7 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.483 -3.433 18389 5777 1 7 . 1 1 60 60 LEU CB C 60 39.357 39.357 40.620 -1.263 18389 5778 1 7 . 1 1 60 60 LEU H H 60 7.838 7.838 7.186 0.652 18389 5779 1 7 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.341 0.232 18389 5780 1 7 . 1 1 61 61 PRO C C 61 173.514 173.514 176.168 -2.654 18389 5781 1 7 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.016 -2.764 18389 5782 1 7 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.297 -2.982 18389 5783 1 7 . 1 1 62 62 ASP N N 62 115.943 115.943 116.781 -0.838 18389 5784 1 7 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.794 0.045 18389 5785 1 7 . 1 1 62 62 ASP C C 62 172.949 172.949 175.899 -2.950 18389 5786 1 7 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.908 -3.202 18389 5787 1 7 . 1 1 62 62 ASP CB C 62 40.031 40.031 43.239 -3.208 18389 5788 1 7 . 1 1 62 62 ASP H H 62 7.018 7.018 7.738 -0.720 18389 5789 1 7 . 1 1 63 63 GLY N N 63 112.680 112.680 108.880 3.800 18389 5790 1 7 . 1 1 63 63 GLY C C 63 170.273 170.273 172.387 -2.114 18389 5791 1 7 . 1 1 63 63 GLY CA C 63 43.001 43.001 45.372 -2.371 18389 5792 1 7 . 1 1 63 63 GLY H H 63 8.417 8.417 8.554 -0.137 18389 5793 1 7 . 1 1 64 64 ASP N N 64 115.221 115.221 120.871 -5.650 18389 5794 1 7 . 1 1 64 64 ASP HA H 64 5.293 5.293 5.076 0.217 18389 5795 1 7 . 1 1 64 64 ASP C C 64 174.354 174.354 176.335 -1.981 18389 5796 1 7 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.492 -2.225 18389 5797 1 7 . 1 1 64 64 ASP CB C 64 37.340 37.340 40.847 -3.507 18389 5798 1 7 . 1 1 64 64 ASP H H 64 7.766 7.766 8.094 -0.328 18389 5799 1 7 . 1 1 65 65 TRP N N 65 130.747 130.747 122.712 8.035 18389 5800 1 7 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.981 0.450 18389 5801 1 7 . 1 1 65 65 TRP C C 65 173.930 173.930 177.689 -3.759 18389 5802 1 7 . 1 1 65 65 TRP CA C 65 52.044 52.044 55.383 -3.338 18389 5803 1 7 . 1 1 65 65 TRP CB C 65 26.607 26.607 27.811 -1.204 18389 5804 1 7 . 1 1 65 65 TRP H H 65 9.687 9.687 8.262 1.425 18389 5805 1 7 . 1 1 66 66 SER N N 66 114.151 114.151 115.598 -1.447 18389 5806 1 7 . 1 1 66 66 SER HA H 66 4.041 4.041 4.188 -0.147 18389 5807 1 7 . 1 1 66 66 SER CA C 66 59.812 59.812 60.938 -1.126 18389 5808 1 7 . 1 1 66 66 SER CB C 66 60.892 60.892 62.447 -1.555 18389 5809 1 7 . 1 1 66 66 SER H H 66 8.568 8.568 7.913 0.655 18389 5810 1 7 . 1 1 70 70 LYS N N 70 117.090 117.090 115.898 1.192 18389 5811 1 7 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.831 -0.433 18389 5812 1 7 . 1 1 70 70 LYS C C 70 170.030 170.030 174.588 -4.558 18389 5813 1 7 . 1 1 70 70 LYS CA C 70 50.859 50.859 55.032 -4.173 18389 5814 1 7 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.994 -2.038 18389 5815 1 7 . 1 1 70 70 LYS H H 70 8.308 8.308 8.046 0.262 18389 5816 1 7 . 1 1 71 71 ILE N N 71 118.764 118.764 120.666 -1.902 18389 5817 1 7 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.658 0.556 18389 5818 1 7 . 1 1 71 71 ILE C C 71 169.396 169.396 174.327 -4.931 18389 5819 1 7 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.520 -4.187 18389 5820 1 7 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.168 -1.522 18389 5821 1 7 . 1 1 71 71 ILE H H 71 7.816 7.816 8.570 -0.754 18389 5822 1 7 . 1 1 72 72 SER N N 72 120.952 120.952 117.777 3.175 18389 5823 1 7 . 1 1 72 72 SER HA H 72 5.852 5.852 4.960 0.892 18389 5824 1 7 . 1 1 72 72 SER C C 72 170.208 170.208 172.593 -2.385 18389 5825 1 7 . 1 1 72 72 SER CA C 72 52.457 52.457 56.367 -3.910 18389 5826 1 7 . 1 1 72 72 SER CB C 72 64.125 64.125 64.889 -0.764 18389 5827 1 7 . 1 1 72 72 SER H H 72 9.237 9.237 8.763 0.474 18389 5828 1 7 . 1 1 73 73 PHE N N 73 117.161 117.161 120.128 -2.967 18389 5829 1 7 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.699 -0.328 18389 5830 1 7 . 1 1 73 73 PHE C C 73 170.381 170.381 173.385 -3.004 18389 5831 1 7 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.509 -1.712 18389 5832 1 7 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.611 -3.039 18389 5833 1 7 . 1 1 73 73 PHE H H 73 8.093 8.093 7.773 0.320 18389 5834 1 7 . 1 1 74 74 ASP N N 74 120.210 120.210 121.690 -1.480 18389 5835 1 7 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.670 0.484 18389 5836 1 7 . 1 1 74 74 ASP C C 74 173.653 173.653 174.678 -1.025 18389 5837 1 7 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.539 -2.643 18389 5838 1 7 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.675 -2.188 18389 5839 1 7 . 1 1 74 74 ASP H H 74 8.993 8.993 8.742 0.251 18389 5840 1 7 . 1 1 75 75 ILE N N 75 121.051 121.051 125.452 -4.401 18389 5841 1 7 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.190 1.063 18389 5842 1 7 . 1 1 75 75 ILE C C 75 171.229 171.229 172.941 -1.712 18389 5843 1 7 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.486 -1.965 18389 5844 1 7 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.589 -0.068 18389 5845 1 7 . 1 1 75 75 ILE H H 75 9.681 9.681 8.065 1.616 18389 5846 1 7 . 1 1 76 76 LYS N N 76 124.693 124.693 126.869 -2.176 18389 5847 1 7 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.928 -0.097 18389 5848 1 7 . 1 1 76 76 LYS C C 76 172.283 172.283 174.686 -2.403 18389 5849 1 7 . 1 1 76 76 LYS CA C 76 53.402 53.402 53.890 -0.488 18389 5850 1 7 . 1 1 76 76 LYS CB C 76 32.722 32.722 35.478 -2.756 18389 5851 1 7 . 1 1 76 76 LYS H H 76 8.454 8.454 8.500 -0.046 18389 5852 1 7 . 1 1 77 77 SER N N 77 118.916 118.916 116.260 2.656 18389 5853 1 7 . 1 1 77 77 SER HA H 77 4.816 4.816 4.434 0.382 18389 5854 1 7 . 1 1 77 77 SER C C 77 172.741 172.741 175.668 -2.927 18389 5855 1 7 . 1 1 77 77 SER CA C 77 55.341 55.341 59.363 -4.022 18389 5856 1 7 . 1 1 77 77 SER CB C 77 61.792 61.792 63.481 -1.689 18389 5857 1 7 . 1 1 77 77 SER H H 77 9.236 9.236 8.586 0.650 18389 5858 1 7 . 1 1 78 78 VAL N N 78 120.723 120.723 120.532 0.191 18389 5859 1 7 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.438 -0.104 18389 5860 1 7 . 1 1 78 78 VAL C C 78 172.941 172.941 175.698 -2.757 18389 5861 1 7 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.411 -1.616 18389 5862 1 7 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.555 -3.287 18389 5863 1 7 . 1 1 78 78 VAL H H 78 8.132 8.132 8.644 -0.512 18389 5864 1 7 . 1 1 79 79 ASP N N 79 119.240 119.240 118.999 0.241 18389 5865 1 7 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.719 0.022 18389 5866 1 7 . 1 1 79 79 ASP C C 79 174.199 174.199 174.924 -0.725 18389 5867 1 7 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.749 -3.637 18389 5868 1 7 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.275 -3.202 18389 5869 1 7 . 1 1 79 79 ASP H H 79 8.190 8.190 8.188 0.002 18389 5870 1 7 . 1 1 80 80 GLY N N 80 108.323 108.323 107.848 0.475 18389 5871 1 7 . 1 1 80 80 GLY C C 80 171.858 171.858 173.642 -1.784 18389 5872 1 7 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.333 -2.230 18389 5873 1 7 . 1 1 80 80 GLY H H 80 8.275 8.275 8.009 0.266 18389 5874 1 7 . 1 1 81 81 SER N N 81 116.291 116.291 117.041 -0.750 18389 5875 1 7 . 1 1 81 81 SER HA H 81 4.588 4.588 4.182 0.406 18389 5876 1 7 . 1 1 81 81 SER C C 81 171.588 171.588 175.921 -4.333 18389 5877 1 7 . 1 1 81 81 SER CA C 81 55.552 55.552 59.103 -3.551 18389 5878 1 7 . 1 1 81 81 SER CB C 81 61.910 61.910 64.033 -2.123 18389 5879 1 7 . 1 1 81 81 SER H H 81 8.201 8.201 8.216 -0.015 18389 5880 1 7 . 1 1 82 82 ALA N N 82 128.019 128.019 127.312 0.707 18389 5881 1 7 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.252 0.710 18389 5882 1 7 . 1 1 82 82 ALA C C 82 173.332 173.332 177.031 -3.699 18389 5883 1 7 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.766 -2.687 18389 5884 1 7 . 1 1 82 82 ALA CB C 82 16.570 16.570 17.973 -1.403 18389 5885 1 7 . 1 1 82 82 ALA H H 82 8.613 8.613 8.749 -0.136 18389 5886 1 7 . 1 1 83 83 ASN N N 83 119.651 119.651 118.540 1.111 18389 5887 1 7 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.595 0.467 18389 5888 1 7 . 1 1 83 83 ASN C C 83 170.848 170.848 174.759 -3.911 18389 5889 1 7 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.949 -2.189 18389 5890 1 7 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.843 -0.054 18389 5891 1 7 . 1 1 83 83 ASN H H 83 8.153 8.153 7.811 0.342 18389 5892 1 7 . 1 1 84 84 GLU N N 84 127.150 127.150 119.554 7.596 18389 5893 1 7 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.486 0.226 18389 5894 1 7 . 1 1 84 84 GLU C C 84 171.647 171.647 176.112 -4.465 18389 5895 1 7 . 1 1 84 84 GLU CA C 84 54.772 54.772 57.178 -2.406 18389 5896 1 7 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.415 -1.714 18389 5897 1 7 . 1 1 84 84 GLU H H 84 8.122 8.122 8.546 -0.424 18389 5898 1 7 . 1 1 85 85 ILE N N 85 117.590 117.590 118.551 -0.961 18389 5899 1 7 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.628 0.005 18389 5900 1 7 . 1 1 85 85 ILE C C 85 171.902 171.902 173.990 -2.088 18389 5901 1 7 . 1 1 85 85 ILE CA C 85 58.031 58.031 58.963 -0.932 18389 5902 1 7 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.086 -1.834 18389 5903 1 7 . 1 1 85 85 ILE H H 85 8.910 8.910 8.820 0.090 18389 5904 1 7 . 1 1 86 86 ARG N N 86 116.697 116.697 120.548 -3.851 18389 5905 1 7 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.750 0.646 18389 5906 1 7 . 1 1 86 86 ARG C C 86 171.787 171.787 174.966 -3.179 18389 5907 1 7 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.210 -1.095 18389 5908 1 7 . 1 1 86 86 ARG CB C 86 32.062 32.062 31.656 0.406 18389 5909 1 7 . 1 1 86 86 ARG H H 86 9.149 9.149 8.140 1.009 18389 5910 1 7 . 1 1 87 87 PHE N N 87 123.607 123.607 123.916 -0.309 18389 5911 1 7 . 1 1 87 87 PHE HA H 87 5.488 5.488 4.408 1.080 18389 5912 1 7 . 1 1 87 87 PHE CA C 87 53.817 53.817 59.363 -5.546 18389 5913 1 7 . 1 1 87 87 PHE CB C 87 40.112 40.112 39.545 0.566 18389 5914 1 7 . 1 1 87 87 PHE H H 87 9.235 9.235 8.961 0.274 18389 5915 1 7 . 1 1 88 88 MET N N 88 129.893 129.893 123.194 6.699 18389 5916 1 7 . 1 1 88 88 MET HA H 88 5.836 5.836 5.751 0.085 18389 5917 1 7 . 1 1 88 88 MET C C 88 170.768 170.768 174.385 -3.617 18389 5918 1 7 . 1 1 88 88 MET CA C 88 51.118 51.118 54.288 -3.170 18389 5919 1 7 . 1 1 88 88 MET CB C 88 37.224 37.224 37.340 -0.116 18389 5920 1 7 . 1 1 88 88 MET H H 88 8.868 8.868 9.053 -0.185 18389 5921 1 7 . 1 1 89 89 ILE N N 89 124.630 124.630 124.717 -0.087 18389 5922 1 7 . 1 1 89 89 ILE HA H 89 4.538 4.538 4.857 -0.319 18389 5923 1 7 . 1 1 89 89 ILE C C 89 171.047 171.047 174.560 -3.513 18389 5924 1 7 . 1 1 89 89 ILE CA C 89 57.971 57.971 58.313 -0.342 18389 5925 1 7 . 1 1 89 89 ILE CB C 89 38.920 38.920 39.715 -0.795 18389 5926 1 7 . 1 1 89 89 ILE H H 89 9.258 9.258 9.512 -0.254 18389 5927 1 7 . 1 1 90 90 ALA N N 90 128.743 128.743 130.165 -1.422 18389 5928 1 7 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.280 0.386 18389 5929 1 7 . 1 1 90 90 ALA C C 90 176.041 176.041 176.924 -0.883 18389 5930 1 7 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.904 -3.083 18389 5931 1 7 . 1 1 90 90 ALA CB C 90 18.331 18.331 20.570 -2.239 18389 5932 1 7 . 1 1 90 90 ALA H H 90 8.749 8.749 9.189 -0.440 18389 5933 1 7 . 1 1 91 91 GLU N N 91 121.616 121.616 125.891 -4.275 18389 5934 1 7 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.524 0.194 18389 5935 1 7 . 1 1 91 91 GLU C C 91 174.217 174.217 177.076 -2.859 18389 5936 1 7 . 1 1 91 91 GLU CA C 91 53.143 53.143 56.416 -3.273 18389 5937 1 7 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.362 -1.515 18389 5938 1 7 . 1 1 91 91 GLU H H 91 8.749 8.749 8.959 -0.210 18389 5939 1 7 . 1 1 92 92 LYS N N 92 117.975 117.975 119.948 -1.973 18389 5940 1 7 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.274 0.095 18389 5941 1 7 . 1 1 92 92 LYS C C 92 174.743 174.743 176.937 -2.194 18389 5942 1 7 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.541 -2.181 18389 5943 1 7 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.084 -2.428 18389 5944 1 7 . 1 1 92 92 LYS H H 92 8.014 8.014 8.208 -0.194 18389 5945 1 7 . 1 1 93 93 SER N N 93 115.092 115.092 118.557 -3.465 18389 5946 1 7 . 1 1 93 93 SER HA H 93 4.215 4.215 4.553 -0.338 18389 5947 1 7 . 1 1 93 93 SER C C 93 174.964 174.964 176.738 -1.774 18389 5948 1 7 . 1 1 93 93 SER CA C 93 53.874 53.874 58.038 -4.163 18389 5949 1 7 . 1 1 93 93 SER CB C 93 61.736 61.736 63.700 -1.964 18389 5950 1 7 . 1 1 93 93 SER H H 93 8.083 8.083 8.805 -0.722 18389 5951 1 7 . 1 1 94 94 ILE N N 94 121.880 121.880 125.305 -3.425 18389 5952 1 7 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.058 0.328 18389 5953 1 7 . 1 1 94 94 ILE C C 94 174.020 174.020 176.115 -2.095 18389 5954 1 7 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.981 -2.636 18389 5955 1 7 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.919 -1.918 18389 5956 1 7 . 1 1 94 94 ILE H H 94 9.150 9.150 9.079 0.071 18389 5957 1 7 . 1 1 95 95 ASN N N 95 117.349 117.349 118.375 -1.026 18389 5958 1 7 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.813 0.242 18389 5959 1 7 . 1 1 95 95 ASN C C 95 173.659 173.659 175.691 -2.032 18389 5960 1 7 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.735 -3.348 18389 5961 1 7 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.877 -2.211 18389 5962 1 7 . 1 1 95 95 ASN H H 95 8.163 8.163 7.905 0.258 18389 5963 1 7 . 1 1 96 96 GLY N N 96 106.957 106.957 108.581 -1.624 18389 5964 1 7 . 1 1 96 96 GLY C C 96 170.704 170.704 173.904 -3.200 18389 5965 1 7 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.685 -2.366 18389 5966 1 7 . 1 1 96 96 GLY H H 96 7.530 7.530 7.687 -0.157 18389 5967 1 7 . 1 1 97 97 VAL N N 97 119.393 119.393 121.620 -2.227 18389 5968 1 7 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.321 0.033 18389 5969 1 7 . 1 1 97 97 VAL C C 97 173.622 173.622 176.256 -2.634 18389 5970 1 7 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.158 -2.016 18389 5971 1 7 . 1 1 97 97 VAL CB C 97 30.771 30.771 32.907 -2.136 18389 5972 1 7 . 1 1 97 97 VAL H H 97 7.650 7.650 7.267 0.383 18389 5973 1 7 . 1 1 98 98 GLY N N 98 115.075 115.075 115.801 -0.726 18389 5974 1 7 . 1 1 98 98 GLY C C 98 170.065 170.065 173.641 -3.576 18389 5975 1 7 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.611 -2.872 18389 5976 1 7 . 1 1 98 98 GLY H H 98 8.712 8.712 8.504 0.208 18389 5977 1 7 . 1 1 99 99 ASP N N 99 119.064 119.064 123.832 -4.768 18389 5978 1 7 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.848 -0.173 18389 5979 1 7 . 1 1 99 99 ASP C C 99 172.502 172.502 175.813 -3.311 18389 5980 1 7 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.853 -3.272 18389 5981 1 7 . 1 1 99 99 ASP CB C 99 39.195 39.195 42.438 -3.243 18389 5982 1 7 . 1 1 99 99 ASP H H 99 8.746 8.746 8.276 0.470 18389 5983 1 7 . 1 1 100 100 GLY N N 100 109.333 109.333 106.847 2.486 18389 5984 1 7 . 1 1 100 100 GLY C C 100 167.638 167.638 172.838 -5.200 18389 5985 1 7 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.084 -3.975 18389 5986 1 7 . 1 1 100 100 GLY H H 100 8.285 8.285 8.461 -0.176 18389 5987 1 7 . 1 1 101 101 GLU N N 101 120.835 120.835 121.798 -0.963 18389 5988 1 7 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.088 0.639 18389 5989 1 7 . 1 1 101 101 GLU C C 101 173.652 173.652 175.660 -2.008 18389 5990 1 7 . 1 1 101 101 GLU CA C 101 55.449 55.449 56.639 -1.190 18389 5991 1 7 . 1 1 101 101 GLU CB C 101 31.014 31.014 30.357 0.657 18389 5992 1 7 . 1 1 101 101 GLU H H 101 8.339 8.339 8.497 -0.158 18389 5993 1 7 . 1 1 102 102 HIS N N 102 126.597 126.597 124.923 1.674 18389 5994 1 7 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.296 0.110 18389 5995 1 7 . 1 1 102 102 HIS C C 102 174.479 174.479 174.884 -0.405 18389 5996 1 7 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.343 -1.431 18389 5997 1 7 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.721 2.034 18389 5998 1 7 . 1 1 102 102 HIS H H 102 10.029 10.029 8.608 1.421 18389 5999 1 7 . 1 1 103 103 TRP N N 103 125.616 125.616 124.318 1.298 18389 6000 1 7 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.456 -0.425 18389 6001 1 7 . 1 1 103 103 TRP C C 103 173.236 173.236 175.034 -1.798 18389 6002 1 7 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.333 -1.500 18389 6003 1 7 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.236 -3.046 18389 6004 1 7 . 1 1 103 103 TRP H H 103 9.242 9.242 9.315 -0.073 18389 6005 1 7 . 1 1 104 104 VAL N N 104 114.086 114.086 119.395 -5.309 18389 6006 1 7 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.463 0.670 18389 6007 1 7 . 1 1 104 104 VAL C C 104 173.194 173.194 174.783 -1.589 18389 6008 1 7 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.818 -2.489 18389 6009 1 7 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.003 0.440 18389 6010 1 7 . 1 1 104 104 VAL H H 104 10.273 10.273 9.348 0.925 18389 6011 1 7 . 1 1 105 105 TYR N N 105 123.278 123.278 127.201 -3.923 18389 6012 1 7 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.851 -0.191 18389 6013 1 7 . 1 1 105 105 TYR C C 105 172.030 172.030 176.707 -4.677 18389 6014 1 7 . 1 1 105 105 TYR CA C 105 56.722 56.722 58.050 -1.327 18389 6015 1 7 . 1 1 105 105 TYR CB C 105 40.973 40.973 39.997 0.976 18389 6016 1 7 . 1 1 105 105 TYR H H 105 9.219 9.219 9.076 0.143 18389 6017 1 7 . 1 1 106 106 SER N N 106 123.619 123.619 115.116 8.503 18389 6018 1 7 . 1 1 106 106 SER HA H 106 5.226 5.226 4.890 0.336 18389 6019 1 7 . 1 1 106 106 SER C C 106 170.291 170.291 173.246 -2.955 18389 6020 1 7 . 1 1 106 106 SER CA C 106 56.800 56.800 57.982 -1.182 18389 6021 1 7 . 1 1 106 106 SER CB C 106 61.265 61.265 64.986 -3.721 18389 6022 1 7 . 1 1 106 106 SER H H 106 7.768 7.768 8.603 -0.835 18389 6023 1 7 . 1 1 107 107 ILE N N 107 120.192 120.192 125.923 -5.731 18389 6024 1 7 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.705 0.054 18389 6025 1 7 . 1 1 107 107 ILE C C 107 171.471 171.471 173.318 -1.847 18389 6026 1 7 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.640 -3.629 18389 6027 1 7 . 1 1 107 107 ILE CB C 107 39.759 39.759 42.044 -2.285 18389 6028 1 7 . 1 1 107 107 ILE H H 107 8.942 8.942 8.922 0.020 18389 6029 1 7 . 1 1 108 108 THR N N 108 118.723 118.723 118.742 -0.019 18389 6030 1 7 . 1 1 108 108 THR HA H 108 5.017 5.017 4.898 0.119 18389 6031 1 7 . 1 1 108 108 THR C C 108 170.359 170.359 172.374 -2.015 18389 6032 1 7 . 1 1 108 108 THR CA C 108 56.686 56.686 58.661 -1.975 18389 6033 1 7 . 1 1 108 108 THR CB C 108 67.488 67.488 70.046 -2.558 18389 6034 1 7 . 1 1 108 108 THR H H 108 8.718 8.718 8.196 0.522 18389 6035 1 7 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.718 -0.308 18389 6036 1 7 . 1 1 109 109 PRO C C 109 171.443 171.443 175.439 -3.996 18389 6037 1 7 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.564 -2.740 18389 6038 1 7 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.344 -3.366 18389 6039 1 7 . 1 1 110 110 ASP N N 110 122.785 122.785 117.791 4.994 18389 6040 1 7 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.840 0.308 18389 6041 1 7 . 1 1 110 110 ASP C C 110 174.113 174.113 175.923 -1.810 18389 6042 1 7 . 1 1 110 110 ASP CA C 110 50.056 50.056 52.953 -2.897 18389 6043 1 7 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.248 -2.559 18389 6044 1 7 . 1 1 110 110 ASP H H 110 9.061 9.061 8.102 0.959 18389 6045 1 7 . 1 1 111 111 SER N N 111 112.595 112.595 112.846 -0.251 18389 6046 1 7 . 1 1 111 111 SER HA H 111 4.432 4.432 4.683 -0.251 18389 6047 1 7 . 1 1 111 111 SER CA C 111 58.333 58.333 57.529 0.804 18389 6048 1 7 . 1 1 111 111 SER CB C 111 61.046 61.046 63.994 -2.948 18389 6049 1 7 . 1 1 111 111 SER H H 111 8.435 8.435 8.459 -0.024 18389 6050 1 7 . 1 1 112 112 SER N N 112 116.615 116.615 116.438 0.177 18389 6051 1 7 . 1 1 112 112 SER HA H 112 4.862 4.862 4.641 0.221 18389 6052 1 7 . 1 1 112 112 SER C C 112 170.519 170.519 173.178 -2.659 18389 6053 1 7 . 1 1 112 112 SER CA C 112 54.017 54.017 57.088 -3.071 18389 6054 1 7 . 1 1 112 112 SER CB C 112 62.948 62.948 64.887 -1.939 18389 6055 1 7 . 1 1 112 112 SER H H 112 8.035 8.035 8.095 -0.060 18389 6056 1 7 . 1 1 113 113 TRP N N 113 120.576 120.576 120.741 -0.165 18389 6057 1 7 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.603 -0.049 18389 6058 1 7 . 1 1 113 113 TRP C C 113 174.599 174.599 176.856 -2.257 18389 6059 1 7 . 1 1 113 113 TRP CA C 113 56.882 56.882 58.303 -1.421 18389 6060 1 7 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.291 -1.931 18389 6061 1 7 . 1 1 113 113 TRP H H 113 8.318 8.318 8.581 -0.263 18389 6062 1 7 . 1 1 114 114 LYS N N 114 123.372 123.372 125.487 -2.115 18389 6063 1 7 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.564 0.330 18389 6064 1 7 . 1 1 114 114 LYS C C 114 172.772 172.772 174.956 -2.184 18389 6065 1 7 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.969 -3.021 18389 6066 1 7 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.826 -1.576 18389 6067 1 7 . 1 1 114 114 LYS H H 114 8.782 8.782 9.020 -0.238 18389 6068 1 7 . 1 1 115 115 THR N N 115 120.929 120.929 123.065 -2.136 18389 6069 1 7 . 1 1 115 115 THR HA H 115 5.226 5.226 4.707 0.519 18389 6070 1 7 . 1 1 115 115 THR C C 115 171.778 171.778 174.010 -2.232 18389 6071 1 7 . 1 1 115 115 THR CA C 115 59.671 59.671 62.333 -2.662 18389 6072 1 7 . 1 1 115 115 THR CB C 115 66.938 66.938 69.101 -2.163 18389 6073 1 7 . 1 1 115 115 THR H H 115 8.689 8.689 8.434 0.255 18389 6074 1 7 . 1 1 116 116 ILE N N 116 131.929 131.929 129.516 2.413 18389 6075 1 7 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.199 -0.015 18389 6076 1 7 . 1 1 116 116 ILE C C 116 171.012 171.012 174.865 -3.853 18389 6077 1 7 . 1 1 116 116 ILE CA C 116 56.357 56.357 58.557 -2.200 18389 6078 1 7 . 1 1 116 116 ILE CB C 116 34.331 34.331 35.990 -1.659 18389 6079 1 7 . 1 1 116 116 ILE H H 116 9.470 9.470 8.978 0.492 18389 6080 1 7 . 1 1 117 117 GLU N N 117 124.514 124.514 126.847 -2.333 18389 6081 1 7 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.684 0.186 18389 6082 1 7 . 1 1 117 117 GLU C C 117 173.332 173.332 175.575 -2.243 18389 6083 1 7 . 1 1 117 117 GLU CA C 117 51.798 51.798 55.424 -3.626 18389 6084 1 7 . 1 1 117 117 GLU CB C 117 29.693 29.693 30.174 -0.481 18389 6085 1 7 . 1 1 117 117 GLU H H 117 8.089 8.089 8.088 0.001 18389 6086 1 7 . 1 1 118 118 ILE N N 118 125.005 125.005 124.183 0.822 18389 6087 1 7 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.570 -0.147 18389 6088 1 7 . 1 1 118 118 ILE C C 118 171.765 171.765 173.478 -1.713 18389 6089 1 7 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.281 -2.641 18389 6090 1 7 . 1 1 118 118 ILE CB C 118 37.429 37.429 41.010 -3.581 18389 6091 1 7 . 1 1 118 118 ILE H H 118 9.322 9.322 8.581 0.741 18389 6092 1 7 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.760 0.077 18389 6093 1 7 . 1 1 119 119 PRO C C 119 176.780 176.780 178.301 -1.521 18389 6094 1 7 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.769 -2.365 18389 6095 1 7 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.414 -3.349 18389 6096 1 7 . 1 1 120 120 PHE N N 120 124.627 124.627 116.657 7.970 18389 6097 1 7 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.076 0.918 18389 6098 1 7 . 1 1 120 120 PHE C C 120 175.402 175.402 176.881 -1.479 18389 6099 1 7 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.194 -0.922 18389 6100 1 7 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.634 -2.389 18389 6101 1 7 . 1 1 120 120 PHE H H 120 8.160 8.160 7.944 0.216 18389 6102 1 7 . 1 1 121 121 SER N N 121 110.551 110.551 114.363 -3.812 18389 6103 1 7 . 1 1 121 121 SER HA H 121 4.647 4.647 4.305 0.342 18389 6104 1 7 . 1 1 121 121 SER C C 121 173.187 173.187 174.985 -1.798 18389 6105 1 7 . 1 1 121 121 SER CA C 121 57.359 57.359 59.934 -2.575 18389 6106 1 7 . 1 1 121 121 SER CB C 121 60.639 60.639 62.451 -1.812 18389 6107 1 7 . 1 1 121 121 SER H H 121 8.367 8.367 7.894 0.473 18389 6108 1 7 . 1 1 122 122 SER N N 122 117.166 117.166 116.081 1.085 18389 6109 1 7 . 1 1 122 122 SER HA H 122 4.946 4.946 4.603 0.343 18389 6110 1 7 . 1 1 122 122 SER C C 122 172.296 172.296 173.540 -1.244 18389 6111 1 7 . 1 1 122 122 SER CA C 122 57.525 57.525 59.398 -1.873 18389 6112 1 7 . 1 1 122 122 SER CB C 122 61.716 61.716 64.243 -2.527 18389 6113 1 7 . 1 1 122 122 SER H H 122 8.537 8.537 7.643 0.894 18389 6114 1 7 . 1 1 123 123 PHE N N 123 119.840 119.840 117.398 2.442 18389 6115 1 7 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.734 -0.087 18389 6116 1 7 . 1 1 123 123 PHE C C 123 173.527 173.527 173.189 0.338 18389 6117 1 7 . 1 1 123 123 PHE CA C 123 58.778 58.778 56.960 1.818 18389 6118 1 7 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.849 -1.302 18389 6119 1 7 . 1 1 123 123 PHE H H 123 7.807 7.807 7.275 0.532 18389 6120 1 7 . 1 1 124 124 ARG N N 124 120.098 120.098 119.686 0.412 18389 6121 1 7 . 1 1 124 124 ARG HA H 124 5.341 5.341 4.975 0.366 18389 6122 1 7 . 1 1 124 124 ARG C C 124 172.631 172.631 174.803 -2.172 18389 6123 1 7 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.443 -3.118 18389 6124 1 7 . 1 1 124 124 ARG CB C 124 30.721 30.721 34.911 -4.190 18389 6125 1 7 . 1 1 124 124 ARG H H 124 9.297 9.297 8.863 0.434 18389 6126 1 7 . 1 1 125 125 ARG N N 125 126.739 126.739 120.895 5.844 18389 6127 1 7 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.250 -1.288 18389 6128 1 7 . 1 1 125 125 ARG C C 125 174.319 174.319 176.262 -1.943 18389 6129 1 7 . 1 1 125 125 ARG CA C 125 55.036 55.036 56.483 -1.447 18389 6130 1 7 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.709 -3.361 18389 6131 1 7 . 1 1 125 125 ARG H H 125 8.611 8.611 8.341 0.270 18389 6132 1 7 . 1 1 126 126 ARG N N 126 126.556 126.556 124.768 1.788 18389 6133 1 7 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.520 -0.556 18389 6134 1 7 . 1 1 126 126 ARG C C 126 174.021 174.021 175.311 -1.290 18389 6135 1 7 . 1 1 126 126 ARG CA C 126 55.538 55.538 54.896 0.642 18389 6136 1 7 . 1 1 126 126 ARG CB C 126 29.739 29.739 29.712 0.027 18389 6137 1 7 . 1 1 126 126 ARG H H 126 7.917 7.917 8.103 -0.186 18389 6138 1 7 . 1 1 127 127 LEU N N 127 124.550 124.550 124.776 -0.226 18389 6139 1 7 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.253 0.401 18389 6140 1 7 . 1 1 127 127 LEU C C 127 175.775 175.775 177.290 -1.515 18389 6141 1 7 . 1 1 127 127 LEU CA C 127 53.208 53.208 56.004 -2.796 18389 6142 1 7 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.338 -0.960 18389 6143 1 7 . 1 1 127 127 LEU H H 127 8.817 8.817 8.406 0.411 18389 6144 1 7 . 1 1 128 128 ASP N N 128 116.209 116.209 118.662 -2.453 18389 6145 1 7 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.440 0.109 18389 6146 1 7 . 1 1 128 128 ASP C C 128 172.491 172.491 175.532 -3.041 18389 6147 1 7 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.541 -3.049 18389 6148 1 7 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.097 -4.515 18389 6149 1 7 . 1 1 128 128 ASP H H 128 9.072 9.072 8.199 0.873 18389 6150 1 7 . 1 1 129 129 TYR N N 129 119.329 119.329 118.713 0.616 18389 6151 1 7 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.725 -0.372 18389 6152 1 7 . 1 1 129 129 TYR C C 129 169.992 169.992 173.246 -3.254 18389 6153 1 7 . 1 1 129 129 TYR CA C 129 56.345 56.345 56.082 0.263 18389 6154 1 7 . 1 1 129 129 TYR CB C 129 38.447 38.447 38.514 -0.067 18389 6155 1 7 . 1 1 129 129 TYR H H 129 7.002 7.002 7.683 -0.681 18389 6156 1 7 . 1 1 130 130 GLN N N 130 121.469 121.469 124.343 -2.874 18389 6157 1 7 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.169 -0.260 18389 6158 1 7 . 1 1 130 130 GLN C C 130 170.223 170.223 173.237 -3.014 18389 6159 1 7 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.257 -2.468 18389 6160 1 7 . 1 1 130 130 GLN CB C 130 29.625 29.625 30.192 -0.567 18389 6161 1 7 . 1 1 130 130 GLN H H 130 6.288 6.288 7.779 -1.491 18389 6162 1 7 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.444 -0.034 18389 6163 1 7 . 1 1 132 132 PRO C C 132 175.720 175.720 177.321 -1.601 18389 6164 1 7 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.395 -2.322 18389 6165 1 7 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.630 -2.515 18389 6166 1 7 . 1 1 133 133 GLY N N 133 104.558 104.558 107.526 -2.968 18389 6167 1 7 . 1 1 133 133 GLY C C 133 171.229 171.229 174.060 -2.831 18389 6168 1 7 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.736 -1.221 18389 6169 1 7 . 1 1 133 133 GLY H H 133 8.298 8.298 8.377 -0.079 18389 6170 1 7 . 1 1 134 134 GLN N N 134 116.684 116.684 120.044 -3.360 18389 6171 1 7 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.024 0.343 18389 6172 1 7 . 1 1 134 134 GLN C C 134 172.815 172.815 174.721 -1.906 18389 6173 1 7 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.197 -1.393 18389 6174 1 7 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.127 -4.261 18389 6175 1 7 . 1 1 134 134 GLN H H 134 7.273 7.273 7.491 -0.218 18389 6176 1 7 . 1 1 135 135 ASP N N 135 118.688 118.688 121.289 -2.601 18389 6177 1 7 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.440 -0.078 18389 6178 1 7 . 1 1 135 135 ASP C C 135 174.301 174.301 175.917 -1.616 18389 6179 1 7 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.913 -3.103 18389 6180 1 7 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.373 -4.470 18389 6181 1 7 . 1 1 135 135 ASP H H 135 8.844 8.844 8.529 0.315 18389 6182 1 7 . 1 1 136 136 MET N N 136 114.721 114.721 123.964 -9.243 18389 6183 1 7 . 1 1 136 136 MET HA H 136 4.035 4.035 4.617 -0.582 18389 6184 1 7 . 1 1 136 136 MET C C 136 174.252 174.252 176.383 -2.131 18389 6185 1 7 . 1 1 136 136 MET CA C 136 54.461 54.461 54.761 -0.300 18389 6186 1 7 . 1 1 136 136 MET CB C 136 29.439 29.439 32.469 -3.030 18389 6187 1 7 . 1 1 136 136 MET H H 136 7.585 7.585 8.351 -0.766 18389 6188 1 7 . 1 1 137 137 SER N N 137 118.130 118.130 114.869 3.261 18389 6189 1 7 . 1 1 137 137 SER HA H 137 4.392 4.392 4.368 0.024 18389 6190 1 7 . 1 1 137 137 SER C C 137 174.811 174.811 176.181 -1.370 18389 6191 1 7 . 1 1 137 137 SER CA C 137 57.841 57.841 59.288 -1.447 18389 6192 1 7 . 1 1 137 137 SER CB C 137 62.369 62.369 63.829 -1.460 18389 6193 1 7 . 1 1 137 137 SER H H 137 9.140 9.140 8.468 0.672 18389 6194 1 7 . 1 1 138 138 GLY N N 138 114.534 114.534 110.562 3.972 18389 6195 1 7 . 1 1 138 138 GLY C C 138 170.903 170.903 173.659 -2.756 18389 6196 1 7 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.776 -1.579 18389 6197 1 7 . 1 1 138 138 GLY H H 138 10.549 10.549 8.837 1.712 18389 6198 1 7 . 1 1 139 139 THR N N 139 112.564 112.564 113.060 -0.496 18389 6199 1 7 . 1 1 139 139 THR HA H 139 4.538 4.538 4.635 -0.097 18389 6200 1 7 . 1 1 139 139 THR C C 139 168.086 168.086 172.826 -4.740 18389 6201 1 7 . 1 1 139 139 THR CA C 139 57.132 57.132 60.313 -3.182 18389 6202 1 7 . 1 1 139 139 THR CB C 139 68.854 68.854 71.353 -2.498 18389 6203 1 7 . 1 1 139 139 THR H H 139 8.504 8.504 7.537 0.967 18389 6204 1 7 . 1 1 140 140 LEU N N 140 129.971 129.971 125.868 4.103 18389 6205 1 7 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.068 -0.297 18389 6206 1 7 . 1 1 140 140 LEU C C 140 172.175 172.175 175.350 -3.175 18389 6207 1 7 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.550 -2.215 18389 6208 1 7 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.834 -5.962 18389 6209 1 7 . 1 1 140 140 LEU H H 140 7.900 7.900 8.039 -0.139 18389 6210 1 7 . 1 1 141 141 ASP N N 141 132.200 132.200 128.662 3.538 18389 6211 1 7 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.733 -0.029 18389 6212 1 7 . 1 1 141 141 ASP C C 141 172.137 172.137 175.397 -3.260 18389 6213 1 7 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.292 -1.600 18389 6214 1 7 . 1 1 141 141 ASP CB C 141 38.561 38.561 42.171 -3.610 18389 6215 1 7 . 1 1 141 141 ASP H H 141 9.101 9.101 9.042 0.059 18389 6216 1 7 . 1 1 142 142 LEU N N 142 122.667 122.667 124.115 -1.448 18389 6217 1 7 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.927 -0.187 18389 6218 1 7 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.519 -2.772 18389 6219 1 7 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.938 -2.040 18389 6220 1 7 . 1 1 142 142 LEU H H 142 7.799 7.799 8.481 -0.682 18389 6221 1 7 . 1 1 143 143 ASP N N 143 112.789 112.789 117.128 -4.339 18389 6222 1 7 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.498 0.418 18389 6223 1 7 . 1 1 143 143 ASP C C 143 173.547 173.547 176.912 -3.365 18389 6224 1 7 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.416 -5.316 18389 6225 1 7 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.795 -3.497 18389 6226 1 7 . 1 1 143 143 ASP H H 143 8.473 8.473 8.271 0.202 18389 6227 1 7 . 1 1 144 144 ASN N N 144 120.743 120.743 116.468 4.275 18389 6228 1 7 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.773 0.306 18389 6229 1 7 . 1 1 144 144 ASN C C 144 171.278 171.278 173.613 -2.335 18389 6230 1 7 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.552 -3.078 18389 6231 1 7 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.969 -1.790 18389 6232 1 7 . 1 1 144 144 ASN H H 144 7.867 7.867 7.658 0.209 18389 6233 1 7 . 1 1 145 145 ILE N N 145 122.844 122.844 120.608 2.236 18389 6234 1 7 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.502 -0.662 18389 6235 1 7 . 1 1 145 145 ILE C C 145 172.420 172.420 174.459 -2.039 18389 6236 1 7 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.038 -1.177 18389 6237 1 7 . 1 1 145 145 ILE CB C 145 33.407 33.407 38.229 -4.822 18389 6238 1 7 . 1 1 145 145 ILE H H 145 8.770 8.770 8.400 0.370 18389 6239 1 7 . 1 1 146 146 ASP N N 146 125.428 125.428 126.733 -1.305 18389 6240 1 7 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.671 -0.018 18389 6241 1 7 . 1 1 146 146 ASP C C 146 172.931 172.931 175.996 -3.065 18389 6242 1 7 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.432 -2.080 18389 6243 1 7 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.135 0.777 18389 6244 1 7 . 1 1 146 146 ASP H H 146 9.355 9.355 9.161 0.194 18389 6245 1 7 . 1 1 147 147 SER N N 147 108.442 108.442 110.897 -2.455 18389 6246 1 7 . 1 1 147 147 SER HA H 147 5.054 5.054 4.794 0.260 18389 6247 1 7 . 1 1 147 147 SER C C 147 169.957 169.957 172.268 -2.311 18389 6248 1 7 . 1 1 147 147 SER CA C 147 54.584 54.584 57.397 -2.813 18389 6249 1 7 . 1 1 147 147 SER CB C 147 62.518 62.518 66.108 -3.590 18389 6250 1 7 . 1 1 147 147 SER H H 147 7.927 7.927 7.738 0.189 18389 6251 1 7 . 1 1 148 148 ILE N N 148 110.150 110.150 116.899 -6.749 18389 6252 1 7 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.115 0.534 18389 6253 1 7 . 1 1 148 148 ILE C C 148 171.932 171.932 173.466 -1.534 18389 6254 1 7 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.240 -2.619 18389 6255 1 7 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.895 -3.183 18389 6256 1 7 . 1 1 148 148 ILE H H 148 8.043 8.043 7.963 0.080 18389 6257 1 7 . 1 1 149 149 HIS N N 149 118.612 118.612 122.153 -3.541 18389 6258 1 7 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.489 1.001 18389 6259 1 7 . 1 1 149 149 HIS C C 149 174.287 174.287 173.649 0.638 18389 6260 1 7 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.869 -2.967 18389 6261 1 7 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.135 -1.176 18389 6262 1 7 . 1 1 149 149 HIS H H 149 9.331 9.331 9.145 0.186 18389 6263 1 7 . 1 1 150 150 PHE N N 150 117.037 117.037 123.036 -5.999 18389 6264 1 7 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.918 0.612 18389 6265 1 7 . 1 1 150 150 PHE C C 150 172.808 172.808 173.464 -0.656 18389 6266 1 7 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.629 -0.126 18389 6267 1 7 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.733 -2.453 18389 6268 1 7 . 1 1 150 150 PHE H H 150 8.788 8.788 8.203 0.585 18389 6269 1 7 . 1 1 151 151 MET N N 151 119.781 119.781 124.352 -4.571 18389 6270 1 7 . 1 1 151 151 MET HA H 151 4.664 4.664 4.628 0.036 18389 6271 1 7 . 1 1 151 151 MET C C 151 170.282 170.282 173.772 -3.490 18389 6272 1 7 . 1 1 151 151 MET CA C 151 52.146 52.146 53.689 -1.543 18389 6273 1 7 . 1 1 151 151 MET CB C 151 34.947 34.947 37.179 -2.232 18389 6274 1 7 . 1 1 151 151 MET H H 151 9.761 9.761 8.230 1.531 18389 6275 1 7 . 1 1 152 152 TYR N N 152 117.149 117.149 118.993 -1.844 18389 6276 1 7 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.503 -0.427 18389 6277 1 7 . 1 1 152 152 TYR C C 152 171.554 171.554 174.107 -2.553 18389 6278 1 7 . 1 1 152 152 TYR CA C 152 55.345 55.345 57.176 -1.831 18389 6279 1 7 . 1 1 152 152 TYR CB C 152 36.904 36.904 38.044 -1.140 18389 6280 1 7 . 1 1 152 152 TYR H H 152 6.275 6.275 7.970 -1.695 18389 6281 1 7 . 1 1 153 153 ALA N N 153 121.523 121.523 125.016 -3.493 18389 6282 1 7 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.473 -0.310 18389 6283 1 7 . 1 1 153 153 ALA C C 153 173.777 173.777 175.551 -1.774 18389 6284 1 7 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.187 -3.002 18389 6285 1 7 . 1 1 153 153 ALA CB C 153 19.965 19.965 20.072 -0.107 18389 6286 1 7 . 1 1 153 153 ALA H H 153 10.019 10.019 8.943 1.076 18389 6287 1 7 . 1 1 154 154 ASN N N 154 114.643 114.643 115.529 -0.886 18389 6288 1 7 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.965 0.219 18389 6289 1 7 . 1 1 154 154 ASN C C 154 173.267 173.267 173.717 -0.450 18389 6290 1 7 . 1 1 154 154 ASN CA C 154 49.915 49.915 53.182 -3.267 18389 6291 1 7 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.560 -3.847 18389 6292 1 7 . 1 1 154 154 ASN H H 154 8.141 8.141 8.022 0.119 18389 6293 1 7 . 1 1 156 156 LYS N N 156 119.099 119.099 120.782 -1.683 18389 6294 1 7 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.220 0.518 18389 6295 1 7 . 1 1 156 156 LYS C C 156 173.965 173.965 175.550 -1.585 18389 6296 1 7 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.419 -2.547 18389 6297 1 7 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.053 -2.627 18389 6298 1 7 . 1 1 156 156 LYS H H 156 8.298 8.298 7.766 0.532 18389 6299 1 7 . 1 1 157 157 SER N N 157 115.584 115.584 113.758 1.826 18389 6300 1 7 . 1 1 157 157 SER HA H 157 5.055 5.055 3.802 1.253 18389 6301 1 7 . 1 1 157 157 SER C C 157 169.925 169.925 173.729 -3.804 18389 6302 1 7 . 1 1 157 157 SER CA C 157 55.617 55.617 57.722 -2.106 18389 6303 1 7 . 1 1 157 157 SER CB C 157 63.180 63.180 64.380 -1.200 18389 6304 1 7 . 1 1 157 157 SER H H 157 8.240 8.240 8.120 0.120 18389 6305 1 7 . 1 1 158 158 GLY N N 158 108.219 108.219 110.330 -2.111 18389 6306 1 7 . 1 1 158 158 GLY C C 158 168.322 168.322 171.558 -3.236 18389 6307 1 7 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.731 -2.166 18389 6308 1 7 . 1 1 158 158 GLY H H 158 6.942 6.942 8.104 -1.162 18389 6309 1 7 . 1 1 159 159 LYS N N 159 116.608 116.608 118.891 -2.283 18389 6310 1 7 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.498 0.023 18389 6311 1 7 . 1 1 159 159 LYS C C 159 172.966 172.966 175.380 -2.414 18389 6312 1 7 . 1 1 159 159 LYS CA C 159 53.141 53.141 55.111 -1.970 18389 6313 1 7 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.681 -1.976 18389 6314 1 7 . 1 1 159 159 LYS H H 159 7.925 7.925 8.049 -0.124 18389 6315 1 7 . 1 1 160 160 PHE N N 160 121.804 121.804 118.886 2.918 18389 6316 1 7 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.531 -0.006 18389 6317 1 7 . 1 1 160 160 PHE C C 160 168.125 168.125 172.665 -4.540 18389 6318 1 7 . 1 1 160 160 PHE CA C 160 53.315 53.315 55.848 -2.533 18389 6319 1 7 . 1 1 160 160 PHE CB C 160 39.051 39.051 42.509 -3.458 18389 6320 1 7 . 1 1 160 160 PHE H H 160 8.834 8.834 9.065 -0.231 18389 6321 1 7 . 1 1 161 161 VAL N N 161 119.787 119.787 118.174 1.613 18389 6322 1 7 . 1 1 161 161 VAL HA H 161 5.378 5.378 4.901 0.477 18389 6323 1 7 . 1 1 161 161 VAL C C 161 170.736 170.736 173.463 -2.727 18389 6324 1 7 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.760 -3.104 18389 6325 1 7 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.606 -3.669 18389 6326 1 7 . 1 1 161 161 VAL H H 161 9.277 9.277 8.741 0.536 18389 6327 1 7 . 1 1 162 162 VAL N N 162 121.357 121.357 124.756 -3.399 18389 6328 1 7 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.354 0.613 18389 6329 1 7 . 1 1 162 162 VAL C C 162 170.928 170.928 174.257 -3.329 18389 6330 1 7 . 1 1 162 162 VAL CA C 162 55.686 55.686 60.043 -4.357 18389 6331 1 7 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.639 -1.798 18389 6332 1 7 . 1 1 162 162 VAL H H 162 8.453 8.453 8.836 -0.383 18389 6333 1 7 . 1 1 163 163 ASP N N 163 119.088 119.088 122.051 -2.963 18389 6334 1 7 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.287 0.292 18389 6335 1 7 . 1 1 163 163 ASP C C 163 172.563 172.563 174.719 -2.156 18389 6336 1 7 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.219 -2.737 18389 6337 1 7 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.841 -2.378 18389 6338 1 7 . 1 1 163 163 ASP H H 163 9.233 9.233 8.504 0.729 18389 6339 1 7 . 1 1 164 164 ASN N N 164 117.316 117.316 116.542 0.774 18389 6340 1 7 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.439 0.210 18389 6341 1 7 . 1 1 164 164 ASN C C 164 170.940 170.940 174.909 -3.969 18389 6342 1 7 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.629 -1.956 18389 6343 1 7 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.001 -1.606 18389 6344 1 7 . 1 1 164 164 ASN H H 164 9.864 9.864 8.993 0.871 18389 6345 1 7 . 1 1 165 165 ILE N N 165 118.660 118.660 120.231 -1.571 18389 6346 1 7 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.540 0.899 18389 6347 1 7 . 1 1 165 165 ILE C C 165 173.336 173.336 175.175 -1.839 18389 6348 1 7 . 1 1 165 165 ILE CA C 165 59.155 59.155 61.945 -2.790 18389 6349 1 7 . 1 1 165 165 ILE CB C 165 35.187 35.187 36.907 -1.720 18389 6350 1 7 . 1 1 165 165 ILE H H 165 8.716 8.716 7.751 0.965 18389 6351 1 7 . 1 1 166 166 LYS N N 166 127.896 127.896 125.933 1.963 18389 6352 1 7 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.196 -0.018 18389 6353 1 7 . 1 1 166 166 LYS C C 166 170.453 170.453 174.275 -3.822 18389 6354 1 7 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.633 -1.109 18389 6355 1 7 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.994 -1.748 18389 6356 1 7 . 1 1 166 166 LYS H H 166 9.921 9.921 9.202 0.719 18389 6357 1 7 . 1 1 167 167 LEU N N 167 120.747 120.747 119.039 1.708 18389 6358 1 7 . 1 1 167 167 LEU HA H 167 4.836 4.836 5.106 -0.270 18389 6359 1 7 . 1 1 167 167 LEU C C 167 173.703 173.703 175.320 -1.617 18389 6360 1 7 . 1 1 167 167 LEU CA C 167 50.579 50.579 52.986 -2.407 18389 6361 1 7 . 1 1 167 167 LEU CB C 167 40.711 40.711 45.073 -4.362 18389 6362 1 7 . 1 1 167 167 LEU H H 167 8.552 8.552 8.483 0.069 18389 6363 1 7 . 1 1 168 168 ILE N N 168 116.914 116.914 118.712 -1.798 18389 6364 1 7 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.468 0.521 18389 6365 1 7 . 1 1 168 168 ILE C C 168 173.923 173.923 176.020 -2.097 18389 6366 1 7 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.996 -1.620 18389 6367 1 7 . 1 1 168 168 ILE CB C 168 38.938 38.938 41.715 -2.777 18389 6368 1 7 . 1 1 168 168 ILE H H 168 8.523 8.523 8.878 -0.355 18389 6369 1 7 . 1 1 169 169 GLY N N 169 114.527 114.527 111.109 3.418 18389 6370 1 7 . 1 1 169 169 GLY C C 169 169.252 169.252 173.774 -4.522 18389 6371 1 7 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.672 -1.747 18389 6372 1 7 . 1 1 169 169 GLY H H 169 8.942 8.942 9.128 -0.186 18389 6373 1 7 . 1 1 170 170 ALA N N 170 123.678 123.678 122.775 0.903 18389 6374 1 7 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.366 0.058 18389 6375 1 7 . 1 1 170 170 ALA C C 170 174.985 174.985 176.896 -1.911 18389 6376 1 7 . 1 1 170 170 ALA CA C 170 49.344 49.344 52.125 -2.781 18389 6377 1 7 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.610 -2.523 18389 6378 1 7 . 1 1 170 170 ALA H H 170 8.321 8.321 7.859 0.462 18389 6379 1 7 . 1 1 171 171 LEU N N 171 122.139 122.139 117.811 4.328 18389 6380 1 7 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.593 -0.188 18389 6381 1 7 . 1 1 171 171 LEU C C 171 174.478 174.478 175.847 -1.369 18389 6382 1 7 . 1 1 171 171 LEU CA C 171 52.634 52.634 53.934 -1.300 18389 6383 1 7 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.232 -1.121 18389 6384 1 7 . 1 1 171 171 LEU H H 171 8.182 8.182 8.206 -0.024 18389 6385 1 8 . 1 1 2 2 ALA N N 2 119.048 119.048 123.916 -4.868 18389 6386 1 8 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.711 -0.427 18389 6387 1 8 . 1 1 2 2 ALA C C 2 174.144 174.144 176.885 -2.741 18389 6388 1 8 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.432 -3.050 18389 6389 1 8 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.371 -0.542 18389 6390 1 8 . 1 1 2 2 ALA H H 2 9.577 9.577 8.064 1.513 18389 6391 1 8 . 1 1 3 3 SER N N 3 114.278 114.278 117.120 -2.842 18389 6392 1 8 . 1 1 3 3 SER C C 3 173.040 173.040 174.831 -1.791 18389 6393 1 8 . 1 1 3 3 SER H H 3 8.152 8.152 8.527 -0.375 18389 6394 1 8 . 1 1 6 6 GLY N N 6 112.362 112.362 108.550 3.812 18389 6395 1 8 . 1 1 6 6 GLY C C 6 170.686 170.686 173.303 -2.617 18389 6396 1 8 . 1 1 6 6 GLY CA C 6 43.313 43.313 46.146 -2.833 18389 6397 1 8 . 1 1 6 6 GLY H H 6 8.750 8.750 8.374 0.376 18389 6398 1 8 . 1 1 7 7 GLU N N 7 117.722 117.722 117.441 0.281 18389 6399 1 8 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.224 0.205 18389 6400 1 8 . 1 1 7 7 GLU C C 7 172.744 172.744 174.393 -1.649 18389 6401 1 8 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.990 -2.742 18389 6402 1 8 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.645 -2.475 18389 6403 1 8 . 1 1 7 7 GLU H H 7 8.078 8.078 7.714 0.364 18389 6404 1 8 . 1 1 8 8 LYS N N 8 122.832 122.832 119.929 2.903 18389 6405 1 8 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.508 0.031 18389 6406 1 8 . 1 1 8 8 LYS C C 8 171.963 171.963 174.123 -2.160 18389 6407 1 8 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.918 -2.353 18389 6408 1 8 . 1 1 8 8 LYS CB C 8 33.185 33.185 35.912 -2.727 18389 6409 1 8 . 1 1 8 8 LYS H H 8 8.434 8.434 8.544 -0.110 18389 6410 1 8 . 1 1 9 9 MET N N 9 128.562 128.562 123.553 5.009 18389 6411 1 8 . 1 1 9 9 MET HA H 9 4.536 4.536 4.362 0.174 18389 6412 1 8 . 1 1 9 9 MET C C 9 172.911 172.911 174.790 -1.879 18389 6413 1 8 . 1 1 9 9 MET CA C 9 53.012 53.012 55.804 -2.792 18389 6414 1 8 . 1 1 9 9 MET CB C 9 28.376 28.376 33.081 -4.705 18389 6415 1 8 . 1 1 9 9 MET H H 9 8.984 8.984 8.584 0.400 18389 6416 1 8 . 1 1 10 10 LEU N N 10 129.881 129.881 124.849 5.032 18389 6417 1 8 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.455 0.209 18389 6418 1 8 . 1 1 10 10 LEU C C 10 174.887 174.887 176.909 -2.022 18389 6419 1 8 . 1 1 10 10 LEU CA C 10 53.213 53.213 54.830 -1.617 18389 6420 1 8 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.229 -2.830 18389 6421 1 8 . 1 1 10 10 LEU H H 10 9.751 9.751 8.604 1.147 18389 6422 1 8 . 1 1 11 11 ASP N N 11 115.516 115.516 117.664 -2.148 18389 6423 1 8 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.696 0.027 18389 6424 1 8 . 1 1 11 11 ASP C C 11 170.836 170.836 174.156 -3.320 18389 6425 1 8 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.835 -0.252 18389 6426 1 8 . 1 1 11 11 ASP CB C 11 40.219 40.219 44.026 -3.807 18389 6427 1 8 . 1 1 11 11 ASP H H 11 8.110 8.110 7.746 0.364 18389 6428 1 8 . 1 1 12 12 ASP N N 12 124.144 124.144 124.616 -0.472 18389 6429 1 8 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.625 0.226 18389 6430 1 8 . 1 1 12 12 ASP C C 12 175.055 175.055 176.063 -1.008 18389 6431 1 8 . 1 1 12 12 ASP CA C 12 50.310 50.310 51.814 -1.504 18389 6432 1 8 . 1 1 12 12 ASP CB C 12 38.195 38.195 40.753 -2.558 18389 6433 1 8 . 1 1 12 12 ASP H H 12 8.053 8.053 8.605 -0.552 18389 6434 1 8 . 1 1 13 13 PHE N N 13 117.584 117.584 115.215 2.369 18389 6435 1 8 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.363 -0.091 18389 6436 1 8 . 1 1 13 13 PHE C C 13 171.960 171.960 175.340 -3.380 18389 6437 1 8 . 1 1 13 13 PHE CA C 13 58.913 58.913 58.950 -0.037 18389 6438 1 8 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.521 -4.346 18389 6439 1 8 . 1 1 13 13 PHE H H 13 9.327 9.327 7.977 1.350 18389 6440 1 8 . 1 1 14 14 GLU N N 14 113.122 113.122 117.031 -3.909 18389 6441 1 8 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.595 0.454 18389 6442 1 8 . 1 1 14 14 GLU C C 14 175.300 175.300 177.536 -2.236 18389 6443 1 8 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.138 -5.157 18389 6444 1 8 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.919 -4.925 18389 6445 1 8 . 1 1 14 14 GLU H H 14 8.165 8.165 8.436 -0.271 18389 6446 1 8 . 1 1 15 15 GLY N N 15 110.108 110.108 109.058 1.050 18389 6447 1 8 . 1 1 15 15 GLY C C 15 171.609 171.609 174.354 -2.745 18389 6448 1 8 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.773 -2.919 18389 6449 1 8 . 1 1 15 15 GLY H H 15 8.117 8.117 8.027 0.090 18389 6450 1 8 . 1 1 16 16 VAL N N 16 121.792 121.792 121.494 0.298 18389 6451 1 8 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.231 0.040 18389 6452 1 8 . 1 1 16 16 VAL C C 16 173.203 173.203 176.132 -2.929 18389 6453 1 8 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.124 -2.841 18389 6454 1 8 . 1 1 16 16 VAL CB C 16 30.201 30.201 33.300 -3.099 18389 6455 1 8 . 1 1 16 16 VAL H H 16 8.190 8.190 8.127 0.063 18389 6456 1 8 . 1 1 17 17 LEU N N 17 124.682 124.682 128.186 -3.504 18389 6457 1 8 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.444 0.454 18389 6458 1 8 . 1 1 17 17 LEU C C 17 174.685 174.685 176.974 -2.289 18389 6459 1 8 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.280 -2.482 18389 6460 1 8 . 1 1 17 17 LEU CB C 17 39.136 39.136 41.620 -2.484 18389 6461 1 8 . 1 1 17 17 LEU H H 17 8.500 8.500 8.670 -0.170 18389 6462 1 8 . 1 1 18 18 ASN N N 18 127.589 127.589 121.982 5.607 18389 6463 1 8 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.734 0.413 18389 6464 1 8 . 1 1 18 18 ASN C C 18 171.583 171.583 175.322 -3.739 18389 6465 1 8 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.919 -1.942 18389 6466 1 8 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.888 -1.744 18389 6467 1 8 . 1 1 18 18 ASN H H 18 9.956 9.956 8.151 1.805 18389 6468 1 8 . 1 1 19 19 TRP N N 19 119.913 119.913 120.887 -0.974 18389 6469 1 8 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.962 0.096 18389 6470 1 8 . 1 1 19 19 TRP C C 19 174.918 174.918 176.984 -2.066 18389 6471 1 8 . 1 1 19 19 TRP CA C 19 55.376 55.376 57.033 -1.657 18389 6472 1 8 . 1 1 19 19 TRP CB C 19 27.400 27.400 30.118 -2.718 18389 6473 1 8 . 1 1 19 19 TRP H H 19 7.057 7.057 7.960 -0.903 18389 6474 1 8 . 1 1 20 20 GLY N N 20 112.934 112.934 111.198 1.736 18389 6475 1 8 . 1 1 20 20 GLY C C 20 171.436 171.436 173.842 -2.406 18389 6476 1 8 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.342 -3.402 18389 6477 1 8 . 1 1 20 20 GLY H H 20 9.622 9.622 8.911 0.711 18389 6478 1 8 . 1 1 21 21 SER N N 21 114.752 114.752 123.337 -8.585 18389 6479 1 8 . 1 1 21 21 SER HA H 21 5.686 5.686 5.398 0.288 18389 6480 1 8 . 1 1 21 21 SER C C 21 170.314 170.314 174.320 -4.006 18389 6481 1 8 . 1 1 21 21 SER CA C 21 55.911 55.911 58.997 -3.086 18389 6482 1 8 . 1 1 21 21 SER CB C 21 64.070 64.070 64.324 -0.254 18389 6483 1 8 . 1 1 21 21 SER H H 21 8.899 8.899 8.630 0.269 18389 6484 1 8 . 1 1 22 22 TYR N N 22 118.001 118.001 121.789 -3.788 18389 6485 1 8 . 1 1 22 22 TYR HA H 22 5.300 5.300 5.028 0.272 18389 6486 1 8 . 1 1 22 22 TYR C C 22 170.760 170.760 172.880 -2.120 18389 6487 1 8 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.735 -3.085 18389 6488 1 8 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.247 -2.423 18389 6489 1 8 . 1 1 22 22 TYR H H 22 8.807 8.807 9.094 -0.287 18389 6490 1 8 . 1 1 23 23 SER N N 23 109.826 109.826 115.631 -5.805 18389 6491 1 8 . 1 1 23 23 SER HA H 23 4.912 4.912 5.572 -0.660 18389 6492 1 8 . 1 1 23 23 SER C C 23 169.918 169.918 173.711 -3.793 18389 6493 1 8 . 1 1 23 23 SER CA C 23 55.664 55.664 56.906 -1.242 18389 6494 1 8 . 1 1 23 23 SER CB C 23 62.361 62.361 66.469 -4.109 18389 6495 1 8 . 1 1 23 23 SER H H 23 8.435 8.435 8.287 0.148 18389 6496 1 8 . 1 1 24 24 GLY N N 24 103.788 103.788 108.785 -4.997 18389 6497 1 8 . 1 1 24 24 GLY C C 24 170.240 170.240 175.153 -4.913 18389 6498 1 8 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.267 -1.500 18389 6499 1 8 . 1 1 24 24 GLY H H 24 7.339 7.339 8.868 -1.529 18389 6500 1 8 . 1 1 25 25 GLU N N 25 116.420 116.420 119.924 -3.504 18389 6501 1 8 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.216 -0.107 18389 6502 1 8 . 1 1 25 25 GLU C C 25 173.683 173.683 177.397 -3.714 18389 6503 1 8 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.982 -4.295 18389 6504 1 8 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.659 -4.513 18389 6505 1 8 . 1 1 25 25 GLU H H 25 8.962 8.962 8.671 0.291 18389 6506 1 8 . 1 1 26 26 GLY N N 26 106.660 106.660 104.553 2.107 18389 6507 1 8 . 1 1 26 26 GLY C C 26 171.638 171.638 173.336 -1.698 18389 6508 1 8 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.949 -1.776 18389 6509 1 8 . 1 1 26 26 GLY H H 26 8.483 8.483 8.207 0.276 18389 6510 1 8 . 1 1 27 27 ALA N N 27 123.407 123.407 124.494 -1.087 18389 6511 1 8 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.253 0.394 18389 6512 1 8 . 1 1 27 27 ALA C C 27 174.232 174.232 176.166 -1.934 18389 6513 1 8 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.805 -2.242 18389 6514 1 8 . 1 1 27 27 ALA CB C 27 17.538 17.538 19.625 -2.087 18389 6515 1 8 . 1 1 27 27 ALA H H 27 7.182 7.182 7.930 -0.748 18389 6516 1 8 . 1 1 28 28 LYS N N 28 117.590 117.590 119.131 -1.541 18389 6517 1 8 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.816 0.076 18389 6518 1 8 . 1 1 28 28 LYS C C 28 171.365 171.365 175.121 -3.756 18389 6519 1 8 . 1 1 28 28 LYS CA C 28 52.419 52.419 54.165 -1.746 18389 6520 1 8 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.438 -1.894 18389 6521 1 8 . 1 1 28 28 LYS H H 28 8.650 8.650 8.424 0.226 18389 6522 1 8 . 1 1 29 29 VAL N N 29 118.148 118.148 116.845 1.303 18389 6523 1 8 . 1 1 29 29 VAL HA H 29 5.241 5.241 5.258 -0.017 18389 6524 1 8 . 1 1 29 29 VAL C C 29 169.809 169.809 175.172 -5.363 18389 6525 1 8 . 1 1 29 29 VAL CA C 29 57.083 57.083 59.835 -2.752 18389 6526 1 8 . 1 1 29 29 VAL CB C 29 31.475 31.475 35.423 -3.948 18389 6527 1 8 . 1 1 29 29 VAL H H 29 8.327 8.327 8.372 -0.045 18389 6528 1 8 . 1 1 30 30 SER N N 30 120.964 120.964 118.809 2.155 18389 6529 1 8 . 1 1 30 30 SER HA H 30 4.993 4.993 4.871 0.122 18389 6530 1 8 . 1 1 30 30 SER C C 30 170.354 170.354 173.470 -3.116 18389 6531 1 8 . 1 1 30 30 SER CA C 30 54.438 54.438 57.605 -3.167 18389 6532 1 8 . 1 1 30 30 SER CB C 30 63.262 63.262 65.885 -2.623 18389 6533 1 8 . 1 1 30 30 SER H H 30 8.797 8.797 8.412 0.385 18389 6534 1 8 . 1 1 31 31 THR N N 31 112.970 112.970 118.838 -5.868 18389 6535 1 8 . 1 1 31 31 THR HA H 31 5.618 5.618 5.333 0.285 18389 6536 1 8 . 1 1 31 31 THR C C 31 171.857 171.857 174.077 -2.220 18389 6537 1 8 . 1 1 31 31 THR CA C 31 56.212 56.212 60.828 -4.616 18389 6538 1 8 . 1 1 31 31 THR CB C 31 69.719 69.719 71.058 -1.339 18389 6539 1 8 . 1 1 31 31 THR H H 31 8.384 8.384 8.341 0.043 18389 6540 1 8 . 1 1 32 32 LYS N N 32 119.710 119.710 124.068 -4.358 18389 6541 1 8 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.673 0.053 18389 6542 1 8 . 1 1 32 32 LYS C C 32 171.734 171.734 174.232 -2.498 18389 6543 1 8 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.539 -1.566 18389 6544 1 8 . 1 1 32 32 LYS CB C 32 34.094 34.094 34.982 -0.888 18389 6545 1 8 . 1 1 32 32 LYS H H 32 8.530 8.530 9.072 -0.542 18389 6546 1 8 . 1 1 33 33 ILE N N 33 124.276 124.276 122.070 2.206 18389 6547 1 8 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.532 0.442 18389 6548 1 8 . 1 1 33 33 ILE C C 33 173.578 173.578 176.529 -2.951 18389 6549 1 8 . 1 1 33 33 ILE CA C 33 57.439 57.439 61.652 -4.213 18389 6550 1 8 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.312 -4.849 18389 6551 1 8 . 1 1 33 33 ILE H H 33 8.669 8.669 8.537 0.132 18389 6552 1 8 . 1 1 34 34 VAL N N 34 121.698 121.698 121.952 -0.254 18389 6553 1 8 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.718 0.149 18389 6554 1 8 . 1 1 34 34 VAL C C 34 172.702 172.702 174.915 -2.213 18389 6555 1 8 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.775 -3.116 18389 6556 1 8 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.380 -0.471 18389 6557 1 8 . 1 1 34 34 VAL H H 34 8.463 8.463 8.575 -0.112 18389 6558 1 8 . 1 1 35 35 SER N N 35 115.704 115.704 115.296 0.408 18389 6559 1 8 . 1 1 35 35 SER HA H 35 4.590 4.590 4.596 -0.006 18389 6560 1 8 . 1 1 35 35 SER CA C 35 58.345 58.345 59.205 -0.860 18389 6561 1 8 . 1 1 35 35 SER CB C 35 60.619 60.619 63.733 -3.114 18389 6562 1 8 . 1 1 35 35 SER H H 35 8.271 8.271 8.464 -0.193 18389 6563 1 8 . 1 1 36 36 GLY N N 36 113.970 113.970 110.176 3.794 18389 6564 1 8 . 1 1 36 36 GLY C C 36 170.257 170.257 172.922 -2.665 18389 6565 1 8 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.450 -3.752 18389 6566 1 8 . 1 1 36 36 GLY H H 36 9.267 9.267 8.469 0.798 18389 6567 1 8 . 1 1 37 37 LYS N N 37 129.227 129.227 119.107 10.120 18389 6568 1 8 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.217 -0.862 18389 6569 1 8 . 1 1 37 37 LYS C C 37 174.912 174.912 176.849 -1.937 18389 6570 1 8 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.213 -2.658 18389 6571 1 8 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.527 -3.118 18389 6572 1 8 . 1 1 37 37 LYS H H 37 8.484 8.484 8.407 0.077 18389 6573 1 8 . 1 1 38 38 THR N N 38 109.924 109.924 111.394 -1.470 18389 6574 1 8 . 1 1 38 38 THR HA H 38 4.398 4.398 4.544 -0.146 18389 6575 1 8 . 1 1 38 38 THR C C 38 171.818 171.818 173.952 -2.134 18389 6576 1 8 . 1 1 38 38 THR CA C 38 57.223 57.223 60.901 -3.678 18389 6577 1 8 . 1 1 38 38 THR CB C 38 67.805 67.805 69.601 -1.796 18389 6578 1 8 . 1 1 38 38 THR H H 38 7.549 7.549 8.122 -0.573 18389 6579 1 8 . 1 1 40 40 ASN N N 40 129.674 129.674 123.167 6.507 18389 6580 1 8 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.724 0.799 18389 6581 1 8 . 1 1 40 40 ASN C C 40 173.717 173.717 174.845 -1.128 18389 6582 1 8 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.525 -2.203 18389 6583 1 8 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.170 -1.982 18389 6584 1 8 . 1 1 40 40 ASN H H 40 10.958 10.958 8.640 2.318 18389 6585 1 8 . 1 1 41 41 GLY N N 41 111.261 111.261 106.512 4.749 18389 6586 1 8 . 1 1 41 41 GLY C C 41 166.652 166.652 172.083 -5.431 18389 6587 1 8 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.189 -1.478 18389 6588 1 8 . 1 1 41 41 GLY H H 41 9.674 9.674 8.732 0.942 18389 6589 1 8 . 1 1 42 42 MET N N 42 119.165 119.165 118.972 0.193 18389 6590 1 8 . 1 1 42 42 MET HA H 42 4.849 4.849 5.065 -0.216 18389 6591 1 8 . 1 1 42 42 MET C C 42 171.154 171.154 173.359 -2.205 18389 6592 1 8 . 1 1 42 42 MET CA C 42 51.503 51.503 54.203 -2.700 18389 6593 1 8 . 1 1 42 42 MET CB C 42 33.293 33.293 36.302 -3.009 18389 6594 1 8 . 1 1 42 42 MET H H 42 7.550 7.550 7.786 -0.236 18389 6595 1 8 . 1 1 43 43 GLU N N 43 128.221 128.221 125.832 2.389 18389 6596 1 8 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.363 -0.497 18389 6597 1 8 . 1 1 43 43 GLU C C 43 172.612 172.612 174.013 -1.401 18389 6598 1 8 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.102 -2.423 18389 6599 1 8 . 1 1 43 43 GLU CB C 43 30.396 30.396 34.228 -3.832 18389 6600 1 8 . 1 1 43 43 GLU H H 43 9.355 9.355 9.053 0.302 18389 6601 1 8 . 1 1 44 44 VAL N N 44 131.011 131.011 124.471 6.540 18389 6602 1 8 . 1 1 44 44 VAL HA H 44 4.362 4.362 5.055 -0.693 18389 6603 1 8 . 1 1 44 44 VAL C C 44 171.752 171.752 173.240 -1.488 18389 6604 1 8 . 1 1 44 44 VAL CA C 44 58.335 58.335 60.144 -1.809 18389 6605 1 8 . 1 1 44 44 VAL CB C 44 28.950 28.950 36.425 -7.476 18389 6606 1 8 . 1 1 44 44 VAL H H 44 9.002 9.002 8.906 0.096 18389 6607 1 8 . 1 1 45 45 SER N N 45 120.764 120.764 122.490 -1.726 18389 6608 1 8 . 1 1 45 45 SER HA H 45 4.975 4.975 5.239 -0.264 18389 6609 1 8 . 1 1 45 45 SER C C 45 170.500 170.500 173.040 -2.540 18389 6610 1 8 . 1 1 45 45 SER CA C 45 53.547 53.547 56.551 -3.004 18389 6611 1 8 . 1 1 45 45 SER CB C 45 61.650 61.650 64.584 -2.934 18389 6612 1 8 . 1 1 45 45 SER H H 45 8.511 8.511 8.508 0.003 18389 6613 1 8 . 1 1 46 46 TYR N N 46 123.478 123.478 128.371 -4.893 18389 6614 1 8 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.001 0.274 18389 6615 1 8 . 1 1 46 46 TYR C C 46 171.644 171.644 175.387 -3.743 18389 6616 1 8 . 1 1 46 46 TYR CA C 46 52.235 52.235 57.493 -5.258 18389 6617 1 8 . 1 1 46 46 TYR CB C 46 37.465 37.465 39.981 -2.516 18389 6618 1 8 . 1 1 46 46 TYR H H 46 8.511 8.511 9.297 -0.786 18389 6619 1 8 . 1 1 47 47 THR N N 47 118.641 118.641 122.168 -3.527 18389 6620 1 8 . 1 1 47 47 THR HA H 47 4.793 4.793 4.728 0.065 18389 6621 1 8 . 1 1 47 47 THR C C 47 171.614 171.614 173.724 -2.110 18389 6622 1 8 . 1 1 47 47 THR CA C 47 58.267 58.267 61.858 -3.591 18389 6623 1 8 . 1 1 47 47 THR CB C 47 68.820 68.820 69.138 -0.318 18389 6624 1 8 . 1 1 47 47 THR H H 47 8.935 8.935 8.464 0.471 18389 6625 1 8 . 1 1 48 48 GLY N N 48 112.467 112.467 114.112 -1.645 18389 6626 1 8 . 1 1 48 48 GLY C C 48 170.521 170.521 172.362 -1.841 18389 6627 1 8 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.401 -1.325 18389 6628 1 8 . 1 1 48 48 GLY H H 48 7.723 7.723 7.801 -0.078 18389 6629 1 8 . 1 1 49 49 THR N N 49 106.823 106.823 109.972 -3.149 18389 6630 1 8 . 1 1 49 49 THR HA H 49 4.913 4.913 4.288 0.625 18389 6631 1 8 . 1 1 49 49 THR C C 49 172.529 172.529 175.370 -2.841 18389 6632 1 8 . 1 1 49 49 THR CA C 49 57.385 57.385 60.176 -2.791 18389 6633 1 8 . 1 1 49 49 THR CB C 49 69.609 69.609 71.164 -1.555 18389 6634 1 8 . 1 1 49 49 THR H H 49 8.019 8.019 6.623 1.396 18389 6635 1 8 . 1 1 51 51 ASP N N 51 118.095 118.095 119.532 -1.437 18389 6636 1 8 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.762 0.242 18389 6637 1 8 . 1 1 51 51 ASP C C 51 172.913 172.913 175.731 -2.818 18389 6638 1 8 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.861 -1.616 18389 6639 1 8 . 1 1 51 51 ASP CB C 51 38.770 38.770 42.135 -3.365 18389 6640 1 8 . 1 1 51 51 ASP H H 51 8.613 8.613 8.042 0.571 18389 6641 1 8 . 1 1 52 52 GLY N N 52 107.075 107.075 108.835 -1.760 18389 6642 1 8 . 1 1 52 52 GLY C C 52 169.748 169.748 172.661 -2.913 18389 6643 1 8 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.665 -1.759 18389 6644 1 8 . 1 1 52 52 GLY H H 52 7.651 7.651 7.357 0.294 18389 6645 1 8 . 1 1 53 53 TYR N N 53 112.556 112.556 119.787 -7.231 18389 6646 1 8 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.861 -1.240 18389 6647 1 8 . 1 1 53 53 TYR C C 53 169.219 169.219 173.686 -4.467 18389 6648 1 8 . 1 1 53 53 TYR CA C 53 52.106 52.106 57.422 -5.316 18389 6649 1 8 . 1 1 53 53 TYR CB C 53 39.030 39.030 41.495 -2.465 18389 6650 1 8 . 1 1 53 53 TYR H H 53 6.918 6.918 8.157 -1.239 18389 6651 1 8 . 1 1 54 54 TRP N N 54 112.748 112.748 124.371 -11.623 18389 6652 1 8 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.493 -0.114 18389 6653 1 8 . 1 1 54 54 TRP C C 54 171.085 171.085 174.024 -2.939 18389 6654 1 8 . 1 1 54 54 TRP CA C 54 52.260 52.260 54.326 -2.066 18389 6655 1 8 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.798 -2.823 18389 6656 1 8 . 1 1 54 54 TRP H H 54 6.406 6.406 8.683 -2.277 18389 6657 1 8 . 1 1 55 55 GLY N N 55 108.552 108.552 109.118 -0.566 18389 6658 1 8 . 1 1 55 55 GLY C C 55 168.023 168.023 172.057 -4.034 18389 6659 1 8 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.399 -1.951 18389 6660 1 8 . 1 1 55 55 GLY H H 55 8.689 8.689 8.522 0.167 18389 6661 1 8 . 1 1 56 56 THR N N 56 113.376 113.376 115.720 -2.344 18389 6662 1 8 . 1 1 56 56 THR HA H 56 5.868 5.868 5.310 0.558 18389 6663 1 8 . 1 1 56 56 THR C C 56 170.376 170.376 173.323 -2.947 18389 6664 1 8 . 1 1 56 56 THR CA C 56 57.238 57.238 61.590 -4.352 18389 6665 1 8 . 1 1 56 56 THR CB C 56 69.053 69.053 70.832 -1.779 18389 6666 1 8 . 1 1 56 56 THR H H 56 9.518 9.518 8.798 0.720 18389 6667 1 8 . 1 1 57 57 VAL N N 57 123.361 123.361 127.663 -4.302 18389 6668 1 8 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.766 0.687 18389 6669 1 8 . 1 1 57 57 VAL C C 57 169.082 169.082 174.047 -4.965 18389 6670 1 8 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.101 -5.052 18389 6671 1 8 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.684 -2.337 18389 6672 1 8 . 1 1 57 57 VAL H H 57 8.956 8.956 8.516 0.440 18389 6673 1 8 . 1 1 58 58 TYR N N 58 131.224 131.224 128.116 3.108 18389 6674 1 8 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.332 0.244 18389 6675 1 8 . 1 1 58 58 TYR C C 58 172.050 172.050 173.697 -1.647 18389 6676 1 8 . 1 1 58 58 TYR CA C 58 51.582 51.582 55.954 -4.372 18389 6677 1 8 . 1 1 58 58 TYR CB C 58 34.961 34.961 40.102 -5.141 18389 6678 1 8 . 1 1 58 58 TYR H H 58 8.641 8.641 8.661 -0.020 18389 6679 1 8 . 1 1 59 59 SER N N 59 123.126 123.126 122.937 0.189 18389 6680 1 8 . 1 1 59 59 SER HA H 59 4.304 4.304 4.853 -0.549 18389 6681 1 8 . 1 1 59 59 SER C C 59 170.891 170.891 173.534 -2.643 18389 6682 1 8 . 1 1 59 59 SER CA C 59 55.452 55.452 57.392 -1.940 18389 6683 1 8 . 1 1 59 59 SER CB C 59 60.048 60.048 64.083 -4.035 18389 6684 1 8 . 1 1 59 59 SER H H 59 8.217 8.217 8.343 -0.126 18389 6685 1 8 . 1 1 60 60 LEU N N 60 126.809 126.809 129.121 -2.312 18389 6686 1 8 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.738 -0.485 18389 6687 1 8 . 1 1 60 60 LEU C C 60 173.994 173.994 175.705 -1.711 18389 6688 1 8 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.269 -3.219 18389 6689 1 8 . 1 1 60 60 LEU CB C 60 39.357 39.357 41.734 -2.377 18389 6690 1 8 . 1 1 60 60 LEU H H 60 7.838 7.838 8.325 -0.487 18389 6691 1 8 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.245 0.328 18389 6692 1 8 . 1 1 61 61 PRO C C 61 173.514 173.514 176.186 -2.672 18389 6693 1 8 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.363 -3.111 18389 6694 1 8 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.236 -2.921 18389 6695 1 8 . 1 1 62 62 ASP N N 62 115.943 115.943 115.582 0.361 18389 6696 1 8 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.639 0.200 18389 6697 1 8 . 1 1 62 62 ASP C C 62 172.949 172.949 174.673 -1.724 18389 6698 1 8 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.864 -3.159 18389 6699 1 8 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.567 -2.536 18389 6700 1 8 . 1 1 62 62 ASP H H 62 7.018 7.018 7.634 -0.616 18389 6701 1 8 . 1 1 63 63 GLY N N 63 112.680 112.680 110.510 2.170 18389 6702 1 8 . 1 1 63 63 GLY C C 63 170.273 170.273 172.743 -2.470 18389 6703 1 8 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.064 -1.063 18389 6704 1 8 . 1 1 63 63 GLY H H 63 8.417 8.417 8.333 0.084 18389 6705 1 8 . 1 1 64 64 ASP N N 64 115.221 115.221 123.480 -8.259 18389 6706 1 8 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.695 0.598 18389 6707 1 8 . 1 1 64 64 ASP C C 64 174.354 174.354 175.282 -0.928 18389 6708 1 8 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.716 -2.449 18389 6709 1 8 . 1 1 64 64 ASP CB C 64 37.340 37.340 40.486 -3.146 18389 6710 1 8 . 1 1 64 64 ASP H H 64 7.766 7.766 7.884 -0.118 18389 6711 1 8 . 1 1 65 65 TRP N N 65 130.747 130.747 121.098 9.649 18389 6712 1 8 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.120 0.311 18389 6713 1 8 . 1 1 65 65 TRP C C 65 173.930 173.930 177.773 -3.843 18389 6714 1 8 . 1 1 65 65 TRP CA C 65 52.044 52.044 57.059 -5.015 18389 6715 1 8 . 1 1 65 65 TRP CB C 65 26.607 26.607 28.080 -1.473 18389 6716 1 8 . 1 1 65 65 TRP H H 65 9.687 9.687 7.791 1.896 18389 6717 1 8 . 1 1 66 66 SER N N 66 114.151 114.151 116.333 -2.182 18389 6718 1 8 . 1 1 66 66 SER HA H 66 4.041 4.041 4.024 0.017 18389 6719 1 8 . 1 1 66 66 SER CA C 66 59.812 59.812 61.171 -1.359 18389 6720 1 8 . 1 1 66 66 SER CB C 66 60.892 60.892 62.539 -1.647 18389 6721 1 8 . 1 1 66 66 SER H H 66 8.568 8.568 8.196 0.372 18389 6722 1 8 . 1 1 70 70 LYS N N 70 117.090 117.090 115.309 1.781 18389 6723 1 8 . 1 1 70 70 LYS HA H 70 4.398 4.398 3.984 0.414 18389 6724 1 8 . 1 1 70 70 LYS C C 70 170.030 170.030 174.248 -4.218 18389 6725 1 8 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.718 -3.859 18389 6726 1 8 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.607 -1.651 18389 6727 1 8 . 1 1 70 70 LYS H H 70 8.308 8.308 7.961 0.347 18389 6728 1 8 . 1 1 71 71 ILE N N 71 118.764 118.764 119.881 -1.117 18389 6729 1 8 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.416 0.798 18389 6730 1 8 . 1 1 71 71 ILE C C 71 169.396 169.396 173.799 -4.403 18389 6731 1 8 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.151 -3.818 18389 6732 1 8 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.751 -1.105 18389 6733 1 8 . 1 1 71 71 ILE H H 71 7.816 7.816 8.100 -0.284 18389 6734 1 8 . 1 1 72 72 SER N N 72 120.952 120.952 118.352 2.600 18389 6735 1 8 . 1 1 72 72 SER HA H 72 5.852 5.852 4.873 0.979 18389 6736 1 8 . 1 1 72 72 SER C C 72 170.208 170.208 172.677 -2.469 18389 6737 1 8 . 1 1 72 72 SER CA C 72 52.457 52.457 55.670 -3.213 18389 6738 1 8 . 1 1 72 72 SER CB C 72 64.125 64.125 64.840 -0.715 18389 6739 1 8 . 1 1 72 72 SER H H 72 9.237 9.237 8.646 0.591 18389 6740 1 8 . 1 1 73 73 PHE N N 73 117.161 117.161 120.520 -3.359 18389 6741 1 8 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.395 -0.024 18389 6742 1 8 . 1 1 73 73 PHE C C 73 170.381 170.381 173.493 -3.112 18389 6743 1 8 . 1 1 73 73 PHE CA C 73 53.797 53.797 54.879 -1.081 18389 6744 1 8 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.611 -3.039 18389 6745 1 8 . 1 1 73 73 PHE H H 73 8.093 8.093 7.815 0.278 18389 6746 1 8 . 1 1 74 74 ASP N N 74 120.210 120.210 121.490 -1.280 18389 6747 1 8 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.405 0.749 18389 6748 1 8 . 1 1 74 74 ASP C C 74 173.653 173.653 174.610 -0.957 18389 6749 1 8 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.501 -2.605 18389 6750 1 8 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.231 -1.744 18389 6751 1 8 . 1 1 74 74 ASP H H 74 8.993 8.993 8.504 0.489 18389 6752 1 8 . 1 1 75 75 ILE N N 75 121.051 121.051 125.815 -4.764 18389 6753 1 8 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.812 1.441 18389 6754 1 8 . 1 1 75 75 ILE C C 75 171.229 171.229 173.413 -2.184 18389 6755 1 8 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.428 -1.907 18389 6756 1 8 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.444 0.077 18389 6757 1 8 . 1 1 75 75 ILE H H 75 9.681 9.681 8.944 0.737 18389 6758 1 8 . 1 1 76 76 LYS N N 76 124.693 124.693 126.313 -1.620 18389 6759 1 8 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.245 -0.414 18389 6760 1 8 . 1 1 76 76 LYS C C 76 172.283 172.283 174.844 -2.561 18389 6761 1 8 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.646 -1.244 18389 6762 1 8 . 1 1 76 76 LYS CB C 76 32.722 32.722 37.106 -4.384 18389 6763 1 8 . 1 1 76 76 LYS H H 76 8.454 8.454 8.970 -0.516 18389 6764 1 8 . 1 1 77 77 SER N N 77 118.916 118.916 115.271 3.645 18389 6765 1 8 . 1 1 77 77 SER HA H 77 4.816 4.816 4.773 0.043 18389 6766 1 8 . 1 1 77 77 SER C C 77 172.741 172.741 173.699 -0.958 18389 6767 1 8 . 1 1 77 77 SER CA C 77 55.341 55.341 56.535 -1.194 18389 6768 1 8 . 1 1 77 77 SER CB C 77 61.792 61.792 64.913 -3.121 18389 6769 1 8 . 1 1 77 77 SER H H 77 9.236 9.236 9.037 0.200 18389 6770 1 8 . 1 1 78 78 VAL N N 78 120.723 120.723 123.534 -2.811 18389 6771 1 8 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.349 -0.015 18389 6772 1 8 . 1 1 78 78 VAL C C 78 172.941 172.941 175.183 -2.242 18389 6773 1 8 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.638 -1.843 18389 6774 1 8 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.726 -3.458 18389 6775 1 8 . 1 1 78 78 VAL H H 78 8.132 8.132 8.214 -0.082 18389 6776 1 8 . 1 1 79 79 ASP N N 79 119.240 119.240 120.630 -1.390 18389 6777 1 8 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.646 0.095 18389 6778 1 8 . 1 1 79 79 ASP C C 79 174.199 174.199 175.810 -1.611 18389 6779 1 8 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.287 -3.175 18389 6780 1 8 . 1 1 79 79 ASP CB C 79 39.073 39.073 41.536 -2.463 18389 6781 1 8 . 1 1 79 79 ASP H H 79 8.190 8.190 7.753 0.437 18389 6782 1 8 . 1 1 80 80 GLY N N 80 108.323 108.323 109.030 -0.707 18389 6783 1 8 . 1 1 80 80 GLY C C 80 171.858 171.858 173.349 -1.491 18389 6784 1 8 . 1 1 80 80 GLY CA C 80 43.103 43.103 44.889 -1.786 18389 6785 1 8 . 1 1 80 80 GLY H H 80 8.275 8.275 8.201 0.074 18389 6786 1 8 . 1 1 81 81 SER N N 81 116.291 116.291 115.080 1.211 18389 6787 1 8 . 1 1 81 81 SER HA H 81 4.588 4.588 4.692 -0.104 18389 6788 1 8 . 1 1 81 81 SER C C 81 171.588 171.588 173.991 -2.403 18389 6789 1 8 . 1 1 81 81 SER CA C 81 55.552 55.552 57.979 -2.427 18389 6790 1 8 . 1 1 81 81 SER CB C 81 61.910 61.910 66.194 -4.284 18389 6791 1 8 . 1 1 81 81 SER H H 81 8.201 8.201 8.335 -0.134 18389 6792 1 8 . 1 1 82 82 ALA N N 82 128.019 128.019 125.113 2.906 18389 6793 1 8 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.468 0.494 18389 6794 1 8 . 1 1 82 82 ALA C C 82 173.332 173.332 177.365 -4.033 18389 6795 1 8 . 1 1 82 82 ALA CA C 82 49.079 49.079 52.916 -3.837 18389 6796 1 8 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.359 -2.789 18389 6797 1 8 . 1 1 82 82 ALA H H 82 8.613 8.613 8.505 0.108 18389 6798 1 8 . 1 1 83 83 ASN N N 83 119.651 119.651 117.162 2.489 18389 6799 1 8 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.862 0.200 18389 6800 1 8 . 1 1 83 83 ASN C C 83 170.848 170.848 174.410 -3.562 18389 6801 1 8 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.293 -1.533 18389 6802 1 8 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.963 -1.174 18389 6803 1 8 . 1 1 83 83 ASN H H 83 8.153 8.153 7.868 0.285 18389 6804 1 8 . 1 1 84 84 GLU N N 84 127.150 127.150 118.315 8.835 18389 6805 1 8 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.528 0.184 18389 6806 1 8 . 1 1 84 84 GLU C C 84 171.647 171.647 174.962 -3.315 18389 6807 1 8 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.803 -1.031 18389 6808 1 8 . 1 1 84 84 GLU CB C 84 28.701 28.701 31.361 -2.660 18389 6809 1 8 . 1 1 84 84 GLU H H 84 8.122 8.122 8.425 -0.303 18389 6810 1 8 . 1 1 85 85 ILE N N 85 117.590 117.590 113.232 4.358 18389 6811 1 8 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.392 0.241 18389 6812 1 8 . 1 1 85 85 ILE C C 85 171.902 171.902 173.798 -1.896 18389 6813 1 8 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.158 -1.127 18389 6814 1 8 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.668 -1.416 18389 6815 1 8 . 1 1 85 85 ILE H H 85 8.910 8.910 8.581 0.329 18389 6816 1 8 . 1 1 86 86 ARG N N 86 116.697 116.697 117.960 -1.263 18389 6817 1 8 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.266 0.130 18389 6818 1 8 . 1 1 86 86 ARG C C 86 171.787 171.787 174.815 -3.028 18389 6819 1 8 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.277 -1.162 18389 6820 1 8 . 1 1 86 86 ARG CB C 86 32.062 32.062 35.211 -3.149 18389 6821 1 8 . 1 1 86 86 ARG H H 86 9.149 9.149 8.185 0.964 18389 6822 1 8 . 1 1 87 87 PHE N N 87 123.607 123.607 119.331 4.276 18389 6823 1 8 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.415 0.073 18389 6824 1 8 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.784 -2.967 18389 6825 1 8 . 1 1 87 87 PHE CB C 87 40.112 40.112 43.246 -3.134 18389 6826 1 8 . 1 1 87 87 PHE H H 87 9.235 9.235 9.209 0.026 18389 6827 1 8 . 1 1 88 88 MET N N 88 129.893 129.893 120.504 9.389 18389 6828 1 8 . 1 1 88 88 MET HA H 88 5.836 5.836 5.834 0.002 18389 6829 1 8 . 1 1 88 88 MET C C 88 170.768 170.768 174.271 -3.503 18389 6830 1 8 . 1 1 88 88 MET CA C 88 51.118 51.118 54.755 -3.637 18389 6831 1 8 . 1 1 88 88 MET CB C 88 37.224 37.224 37.681 -0.458 18389 6832 1 8 . 1 1 88 88 MET H H 88 8.868 8.868 9.248 -0.380 18389 6833 1 8 . 1 1 89 89 ILE N N 89 124.630 124.630 122.826 1.804 18389 6834 1 8 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.011 -0.473 18389 6835 1 8 . 1 1 89 89 ILE C C 89 171.047 171.047 174.058 -3.011 18389 6836 1 8 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.857 -1.886 18389 6837 1 8 . 1 1 89 89 ILE CB C 89 38.920 38.920 41.938 -3.018 18389 6838 1 8 . 1 1 89 89 ILE H H 89 9.258 9.258 9.339 -0.081 18389 6839 1 8 . 1 1 90 90 ALA N N 90 128.743 128.743 129.633 -0.890 18389 6840 1 8 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.467 0.199 18389 6841 1 8 . 1 1 90 90 ALA C C 90 176.041 176.041 176.042 -0.001 18389 6842 1 8 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.620 -2.799 18389 6843 1 8 . 1 1 90 90 ALA CB C 90 18.331 18.331 20.692 -2.361 18389 6844 1 8 . 1 1 90 90 ALA H H 90 8.749 8.749 9.248 -0.499 18389 6845 1 8 . 1 1 91 91 GLU N N 91 121.616 121.616 126.561 -4.945 18389 6846 1 8 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.373 0.345 18389 6847 1 8 . 1 1 91 91 GLU C C 91 174.217 174.217 176.400 -2.183 18389 6848 1 8 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.726 -2.583 18389 6849 1 8 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.903 -2.056 18389 6850 1 8 . 1 1 91 91 GLU H H 91 8.749 8.749 8.887 -0.138 18389 6851 1 8 . 1 1 92 92 LYS N N 92 117.975 117.975 124.096 -6.121 18389 6852 1 8 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.657 -0.288 18389 6853 1 8 . 1 1 92 92 LYS C C 92 174.743 174.743 177.514 -2.771 18389 6854 1 8 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.474 -2.114 18389 6855 1 8 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.409 -2.753 18389 6856 1 8 . 1 1 92 92 LYS H H 92 8.014 8.014 8.281 -0.267 18389 6857 1 8 . 1 1 93 93 SER N N 93 115.092 115.092 117.107 -2.015 18389 6858 1 8 . 1 1 93 93 SER HA H 93 4.215 4.215 4.702 -0.487 18389 6859 1 8 . 1 1 93 93 SER C C 93 174.964 174.964 176.739 -1.775 18389 6860 1 8 . 1 1 93 93 SER CA C 93 53.874 53.874 57.950 -4.076 18389 6861 1 8 . 1 1 93 93 SER CB C 93 61.736 61.736 64.662 -2.926 18389 6862 1 8 . 1 1 93 93 SER H H 93 8.083 8.083 8.063 0.020 18389 6863 1 8 . 1 1 94 94 ILE N N 94 121.880 121.880 116.121 5.759 18389 6864 1 8 . 1 1 94 94 ILE HA H 94 4.386 4.386 3.891 0.495 18389 6865 1 8 . 1 1 94 94 ILE C C 94 174.020 174.020 176.585 -2.565 18389 6866 1 8 . 1 1 94 94 ILE CA C 94 60.345 60.345 63.675 -3.330 18389 6867 1 8 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.566 -1.565 18389 6868 1 8 . 1 1 94 94 ILE H H 94 9.150 9.150 8.394 0.756 18389 6869 1 8 . 1 1 95 95 ASN N N 95 117.349 117.349 118.967 -1.618 18389 6870 1 8 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.674 0.381 18389 6871 1 8 . 1 1 95 95 ASN C C 95 173.659 173.659 176.337 -2.678 18389 6872 1 8 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.246 -3.859 18389 6873 1 8 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.126 -1.460 18389 6874 1 8 . 1 1 95 95 ASN H H 95 8.163 8.163 8.263 -0.100 18389 6875 1 8 . 1 1 96 96 GLY N N 96 106.957 106.957 107.674 -0.717 18389 6876 1 8 . 1 1 96 96 GLY C C 96 170.704 170.704 174.050 -3.346 18389 6877 1 8 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.922 -2.603 18389 6878 1 8 . 1 1 96 96 GLY H H 96 7.530 7.530 7.722 -0.192 18389 6879 1 8 . 1 1 97 97 VAL N N 97 119.393 119.393 121.610 -2.217 18389 6880 1 8 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.369 -0.015 18389 6881 1 8 . 1 1 97 97 VAL C C 97 173.622 173.622 176.628 -3.006 18389 6882 1 8 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.426 -2.284 18389 6883 1 8 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.111 -2.340 18389 6884 1 8 . 1 1 97 97 VAL H H 97 7.650 7.650 7.468 0.182 18389 6885 1 8 . 1 1 98 98 GLY N N 98 115.075 115.075 116.891 -1.816 18389 6886 1 8 . 1 1 98 98 GLY C C 98 170.065 170.065 173.473 -3.408 18389 6887 1 8 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.109 -2.370 18389 6888 1 8 . 1 1 98 98 GLY H H 98 8.712 8.712 8.668 0.044 18389 6889 1 8 . 1 1 99 99 ASP N N 99 119.064 119.064 121.002 -1.938 18389 6890 1 8 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.802 -0.127 18389 6891 1 8 . 1 1 99 99 ASP C C 99 172.502 172.502 175.939 -3.437 18389 6892 1 8 . 1 1 99 99 ASP CA C 99 50.581 50.581 54.113 -3.532 18389 6893 1 8 . 1 1 99 99 ASP CB C 99 39.195 39.195 41.358 -2.163 18389 6894 1 8 . 1 1 99 99 ASP H H 99 8.746 8.746 8.359 0.387 18389 6895 1 8 . 1 1 100 100 GLY N N 100 109.333 109.333 107.082 2.251 18389 6896 1 8 . 1 1 100 100 GLY C C 100 167.638 167.638 173.621 -5.983 18389 6897 1 8 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.321 -5.212 18389 6898 1 8 . 1 1 100 100 GLY H H 100 8.285 8.285 8.734 -0.449 18389 6899 1 8 . 1 1 101 101 GLU N N 101 120.835 120.835 120.596 0.239 18389 6900 1 8 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.933 -0.206 18389 6901 1 8 . 1 1 101 101 GLU C C 101 173.652 173.652 174.633 -0.981 18389 6902 1 8 . 1 1 101 101 GLU CA C 101 55.449 55.449 54.851 0.598 18389 6903 1 8 . 1 1 101 101 GLU CB C 101 31.014 31.014 33.926 -2.912 18389 6904 1 8 . 1 1 101 101 GLU H H 101 8.339 8.339 7.587 0.752 18389 6905 1 8 . 1 1 102 102 HIS N N 102 126.597 126.597 121.956 4.641 18389 6906 1 8 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.070 0.336 18389 6907 1 8 . 1 1 102 102 HIS C C 102 174.479 174.479 174.334 0.145 18389 6908 1 8 . 1 1 102 102 HIS CA C 102 52.912 52.912 55.017 -2.105 18389 6909 1 8 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.309 2.447 18389 6910 1 8 . 1 1 102 102 HIS H H 102 10.029 10.029 9.348 0.681 18389 6911 1 8 . 1 1 103 103 TRP N N 103 125.616 125.616 124.633 0.983 18389 6912 1 8 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.462 -0.431 18389 6913 1 8 . 1 1 103 103 TRP C C 103 173.236 173.236 174.919 -1.683 18389 6914 1 8 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.289 -1.456 18389 6915 1 8 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.435 -3.245 18389 6916 1 8 . 1 1 103 103 TRP H H 103 9.242 9.242 9.108 0.134 18389 6917 1 8 . 1 1 104 104 VAL N N 104 114.086 114.086 117.466 -3.380 18389 6918 1 8 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.693 0.440 18389 6919 1 8 . 1 1 104 104 VAL C C 104 173.194 173.194 173.589 -0.395 18389 6920 1 8 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.326 -1.997 18389 6921 1 8 . 1 1 104 104 VAL CB C 104 35.443 35.443 36.057 -0.614 18389 6922 1 8 . 1 1 104 104 VAL H H 104 10.273 10.273 9.535 0.738 18389 6923 1 8 . 1 1 105 105 TYR N N 105 123.278 123.278 123.541 -0.263 18389 6924 1 8 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.857 -0.197 18389 6925 1 8 . 1 1 105 105 TYR C C 105 172.030 172.030 173.392 -1.362 18389 6926 1 8 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.378 -0.656 18389 6927 1 8 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.894 -0.921 18389 6928 1 8 . 1 1 105 105 TYR H H 105 9.219 9.219 8.984 0.235 18389 6929 1 8 . 1 1 106 106 SER N N 106 123.619 123.619 118.900 4.719 18389 6930 1 8 . 1 1 106 106 SER HA H 106 5.226 5.226 5.220 0.006 18389 6931 1 8 . 1 1 106 106 SER C C 106 170.291 170.291 172.626 -2.335 18389 6932 1 8 . 1 1 106 106 SER CA C 106 56.800 56.800 55.893 0.907 18389 6933 1 8 . 1 1 106 106 SER CB C 106 61.265 61.265 64.660 -3.395 18389 6934 1 8 . 1 1 106 106 SER H H 106 7.768 7.768 7.808 -0.040 18389 6935 1 8 . 1 1 107 107 ILE N N 107 120.192 120.192 119.755 0.437 18389 6936 1 8 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.579 0.180 18389 6937 1 8 . 1 1 107 107 ILE C C 107 171.471 171.471 173.612 -2.141 18389 6938 1 8 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.355 -2.344 18389 6939 1 8 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.365 -1.606 18389 6940 1 8 . 1 1 107 107 ILE H H 107 8.942 8.942 8.281 0.661 18389 6941 1 8 . 1 1 108 108 THR N N 108 118.723 118.723 112.977 5.746 18389 6942 1 8 . 1 1 108 108 THR HA H 108 5.017 5.017 4.648 0.369 18389 6943 1 8 . 1 1 108 108 THR C C 108 170.359 170.359 173.960 -3.601 18389 6944 1 8 . 1 1 108 108 THR CA C 108 56.686 56.686 59.256 -2.570 18389 6945 1 8 . 1 1 108 108 THR CB C 108 67.488 67.488 68.431 -0.944 18389 6946 1 8 . 1 1 108 108 THR H H 108 8.718 8.718 8.262 0.456 18389 6947 1 8 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.691 -0.281 18389 6948 1 8 . 1 1 109 109 PRO C C 109 171.443 171.443 175.599 -4.156 18389 6949 1 8 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.777 -2.953 18389 6950 1 8 . 1 1 109 109 PRO CB C 109 29.978 29.978 32.597 -2.619 18389 6951 1 8 . 1 1 110 110 ASP N N 110 122.785 122.785 117.057 5.728 18389 6952 1 8 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.774 0.374 18389 6953 1 8 . 1 1 110 110 ASP C C 110 174.113 174.113 174.901 -0.788 18389 6954 1 8 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.351 -3.295 18389 6955 1 8 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.261 -2.572 18389 6956 1 8 . 1 1 110 110 ASP H H 110 9.061 9.061 8.282 0.779 18389 6957 1 8 . 1 1 111 111 SER N N 111 112.595 112.595 112.233 0.362 18389 6958 1 8 . 1 1 111 111 SER HA H 111 4.432 4.432 4.666 -0.234 18389 6959 1 8 . 1 1 111 111 SER CA C 111 58.333 58.333 57.627 0.706 18389 6960 1 8 . 1 1 111 111 SER CB C 111 61.046 61.046 64.879 -3.833 18389 6961 1 8 . 1 1 111 111 SER H H 111 8.435 8.435 8.340 0.095 18389 6962 1 8 . 1 1 112 112 SER N N 112 116.615 116.615 116.579 0.036 18389 6963 1 8 . 1 1 112 112 SER HA H 112 4.862 4.862 4.583 0.279 18389 6964 1 8 . 1 1 112 112 SER C C 112 170.519 170.519 174.913 -4.394 18389 6965 1 8 . 1 1 112 112 SER CA C 112 54.017 54.017 58.078 -4.061 18389 6966 1 8 . 1 1 112 112 SER CB C 112 62.948 62.948 64.758 -1.810 18389 6967 1 8 . 1 1 112 112 SER H H 112 8.035 8.035 8.238 -0.203 18389 6968 1 8 . 1 1 113 113 TRP N N 113 120.576 120.576 123.336 -2.760 18389 6969 1 8 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.433 0.121 18389 6970 1 8 . 1 1 113 113 TRP C C 113 174.599 174.599 176.110 -1.511 18389 6971 1 8 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.297 -0.415 18389 6972 1 8 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.106 -1.746 18389 6973 1 8 . 1 1 113 113 TRP H H 113 8.318 8.318 8.801 -0.483 18389 6974 1 8 . 1 1 114 114 LYS N N 114 123.372 123.372 125.733 -2.361 18389 6975 1 8 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.785 0.109 18389 6976 1 8 . 1 1 114 114 LYS C C 114 172.772 172.772 175.930 -3.158 18389 6977 1 8 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.853 -1.905 18389 6978 1 8 . 1 1 114 114 LYS CB C 114 34.250 34.250 34.558 -0.308 18389 6979 1 8 . 1 1 114 114 LYS H H 114 8.782 8.782 8.073 0.709 18389 6980 1 8 . 1 1 115 115 THR N N 115 120.929 120.929 123.228 -2.299 18389 6981 1 8 . 1 1 115 115 THR HA H 115 5.226 5.226 4.744 0.482 18389 6982 1 8 . 1 1 115 115 THR C C 115 171.778 171.778 174.395 -2.617 18389 6983 1 8 . 1 1 115 115 THR CA C 115 59.671 59.671 63.551 -3.880 18389 6984 1 8 . 1 1 115 115 THR CB C 115 66.938 66.938 69.208 -2.270 18389 6985 1 8 . 1 1 115 115 THR H H 115 8.689 8.689 8.782 -0.093 18389 6986 1 8 . 1 1 116 116 ILE N N 116 131.929 131.929 128.488 3.441 18389 6987 1 8 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.360 -0.176 18389 6988 1 8 . 1 1 116 116 ILE C C 116 171.012 171.012 174.790 -3.778 18389 6989 1 8 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.296 -3.939 18389 6990 1 8 . 1 1 116 116 ILE CB C 116 34.331 34.331 39.051 -4.720 18389 6991 1 8 . 1 1 116 116 ILE H H 116 9.470 9.470 9.133 0.337 18389 6992 1 8 . 1 1 117 117 GLU N N 117 124.514 124.514 128.243 -3.729 18389 6993 1 8 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.282 0.588 18389 6994 1 8 . 1 1 117 117 GLU C C 117 173.332 173.332 176.023 -2.691 18389 6995 1 8 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.428 -4.630 18389 6996 1 8 . 1 1 117 117 GLU CB C 117 29.693 29.693 28.951 0.742 18389 6997 1 8 . 1 1 117 117 GLU H H 117 8.089 8.089 8.626 -0.537 18389 6998 1 8 . 1 1 118 118 ILE N N 118 125.005 125.005 125.797 -0.792 18389 6999 1 8 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.272 0.151 18389 7000 1 8 . 1 1 118 118 ILE C C 118 171.765 171.765 173.763 -1.998 18389 7001 1 8 . 1 1 118 118 ILE CA C 118 55.640 55.640 56.899 -1.259 18389 7002 1 8 . 1 1 118 118 ILE CB C 118 37.429 37.429 37.023 0.406 18389 7003 1 8 . 1 1 118 118 ILE H H 118 9.322 9.322 8.058 1.264 18389 7004 1 8 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.261 0.576 18389 7005 1 8 . 1 1 119 119 PRO C C 119 176.780 176.780 177.784 -1.004 18389 7006 1 8 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.751 -2.347 18389 7007 1 8 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.585 -3.520 18389 7008 1 8 . 1 1 120 120 PHE N N 120 124.627 124.627 118.558 6.069 18389 7009 1 8 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.404 0.590 18389 7010 1 8 . 1 1 120 120 PHE C C 120 175.402 175.402 176.344 -0.942 18389 7011 1 8 . 1 1 120 120 PHE CA C 120 59.272 59.272 59.977 -0.705 18389 7012 1 8 . 1 1 120 120 PHE CB C 120 35.245 35.245 38.127 -2.882 18389 7013 1 8 . 1 1 120 120 PHE H H 120 8.160 8.160 8.148 0.012 18389 7014 1 8 . 1 1 121 121 SER N N 121 110.551 110.551 112.310 -1.759 18389 7015 1 8 . 1 1 121 121 SER HA H 121 4.647 4.647 4.305 0.342 18389 7016 1 8 . 1 1 121 121 SER C C 121 173.187 173.187 175.163 -1.976 18389 7017 1 8 . 1 1 121 121 SER CA C 121 57.359 57.359 59.131 -1.772 18389 7018 1 8 . 1 1 121 121 SER CB C 121 60.639 60.639 63.575 -2.936 18389 7019 1 8 . 1 1 121 121 SER H H 121 8.367 8.367 8.207 0.160 18389 7020 1 8 . 1 1 122 122 SER N N 122 117.166 117.166 117.108 0.058 18389 7021 1 8 . 1 1 122 122 SER HA H 122 4.946 4.946 4.236 0.710 18389 7022 1 8 . 1 1 122 122 SER C C 122 172.296 172.296 174.083 -1.787 18389 7023 1 8 . 1 1 122 122 SER CA C 122 57.525 57.525 59.133 -1.608 18389 7024 1 8 . 1 1 122 122 SER CB C 122 61.716 61.716 63.255 -1.539 18389 7025 1 8 . 1 1 122 122 SER H H 122 8.537 8.537 7.461 1.076 18389 7026 1 8 . 1 1 123 123 PHE N N 123 119.840 119.840 119.347 0.493 18389 7027 1 8 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.870 -0.223 18389 7028 1 8 . 1 1 123 123 PHE C C 123 173.527 173.527 175.832 -2.305 18389 7029 1 8 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.447 -0.668 18389 7030 1 8 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.548 -1.001 18389 7031 1 8 . 1 1 123 123 PHE H H 123 7.807 7.807 7.524 0.283 18389 7032 1 8 . 1 1 124 124 ARG N N 124 120.098 120.098 124.036 -3.938 18389 7033 1 8 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.013 0.328 18389 7034 1 8 . 1 1 124 124 ARG C C 124 172.631 172.631 175.067 -2.436 18389 7035 1 8 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.943 -2.618 18389 7036 1 8 . 1 1 124 124 ARG CB C 124 30.721 30.721 34.952 -4.231 18389 7037 1 8 . 1 1 124 124 ARG H H 124 9.297 9.297 9.195 0.102 18389 7038 1 8 . 1 1 125 125 ARG N N 125 126.739 126.739 122.491 4.248 18389 7039 1 8 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.840 -0.878 18389 7040 1 8 . 1 1 125 125 ARG C C 125 174.319 174.319 175.850 -1.531 18389 7041 1 8 . 1 1 125 125 ARG CA C 125 55.036 55.036 56.049 -1.013 18389 7042 1 8 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.816 -3.468 18389 7043 1 8 . 1 1 125 125 ARG H H 125 8.611 8.611 8.657 -0.046 18389 7044 1 8 . 1 1 126 126 ARG N N 126 126.556 126.556 124.748 1.808 18389 7045 1 8 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.248 -0.284 18389 7046 1 8 . 1 1 126 126 ARG C C 126 174.021 174.021 175.517 -1.496 18389 7047 1 8 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.933 -1.395 18389 7048 1 8 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.458 -0.719 18389 7049 1 8 . 1 1 126 126 ARG H H 126 7.917 7.917 7.864 0.053 18389 7050 1 8 . 1 1 127 127 LEU N N 127 124.550 124.550 126.854 -2.304 18389 7051 1 8 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.534 0.120 18389 7052 1 8 . 1 1 127 127 LEU C C 127 175.775 175.775 177.733 -1.958 18389 7053 1 8 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.350 -2.142 18389 7054 1 8 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.730 -1.352 18389 7055 1 8 . 1 1 127 127 LEU H H 127 8.817 8.817 8.618 0.199 18389 7056 1 8 . 1 1 128 128 ASP N N 128 116.209 116.209 118.811 -2.602 18389 7057 1 8 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.622 -0.073 18389 7058 1 8 . 1 1 128 128 ASP C C 128 172.491 172.491 175.677 -3.186 18389 7059 1 8 . 1 1 128 128 ASP CA C 128 52.492 52.492 54.546 -2.054 18389 7060 1 8 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.482 -4.900 18389 7061 1 8 . 1 1 128 128 ASP H H 128 9.072 9.072 8.202 0.870 18389 7062 1 8 . 1 1 129 129 TYR N N 129 119.329 119.329 119.637 -0.308 18389 7063 1 8 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.700 -0.347 18389 7064 1 8 . 1 1 129 129 TYR C C 129 169.992 169.992 173.594 -3.602 18389 7065 1 8 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.809 -1.464 18389 7066 1 8 . 1 1 129 129 TYR CB C 129 38.447 38.447 39.950 -1.503 18389 7067 1 8 . 1 1 129 129 TYR H H 129 7.002 7.002 7.607 -0.605 18389 7068 1 8 . 1 1 130 130 GLN N N 130 121.469 121.469 124.511 -3.042 18389 7069 1 8 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.529 -0.620 18389 7070 1 8 . 1 1 130 130 GLN C C 130 170.223 170.223 173.025 -2.802 18389 7071 1 8 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.732 -2.943 18389 7072 1 8 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.499 -1.874 18389 7073 1 8 . 1 1 130 130 GLN H H 130 6.288 6.288 8.156 -1.868 18389 7074 1 8 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.289 0.121 18389 7075 1 8 . 1 1 132 132 PRO C C 132 175.720 175.720 177.286 -1.566 18389 7076 1 8 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.211 -2.138 18389 7077 1 8 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.825 -2.710 18389 7078 1 8 . 1 1 133 133 GLY N N 133 104.558 104.558 108.335 -3.777 18389 7079 1 8 . 1 1 133 133 GLY C C 133 171.229 171.229 173.661 -2.432 18389 7080 1 8 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.893 -1.378 18389 7081 1 8 . 1 1 133 133 GLY H H 133 8.298 8.298 8.642 -0.344 18389 7082 1 8 . 1 1 134 134 GLN N N 134 116.684 116.684 119.375 -2.691 18389 7083 1 8 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.333 0.034 18389 7084 1 8 . 1 1 134 134 GLN C C 134 172.815 172.815 175.396 -2.581 18389 7085 1 8 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.458 -1.654 18389 7086 1 8 . 1 1 134 134 GLN CB C 134 24.866 24.866 28.803 -3.937 18389 7087 1 8 . 1 1 134 134 GLN H H 134 7.273 7.273 7.310 -0.037 18389 7088 1 8 . 1 1 135 135 ASP N N 135 118.688 118.688 123.787 -5.099 18389 7089 1 8 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.382 -0.020 18389 7090 1 8 . 1 1 135 135 ASP C C 135 174.301 174.301 176.640 -2.339 18389 7091 1 8 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.702 -2.892 18389 7092 1 8 . 1 1 135 135 ASP CB C 135 36.904 36.904 40.279 -3.375 18389 7093 1 8 . 1 1 135 135 ASP H H 135 8.844 8.844 8.604 0.240 18389 7094 1 8 . 1 1 136 136 MET N N 136 114.721 114.721 116.612 -1.891 18389 7095 1 8 . 1 1 136 136 MET HA H 136 4.035 4.035 4.179 -0.144 18389 7096 1 8 . 1 1 136 136 MET C C 136 174.252 174.252 175.812 -1.560 18389 7097 1 8 . 1 1 136 136 MET CA C 136 54.461 54.461 56.275 -1.813 18389 7098 1 8 . 1 1 136 136 MET CB C 136 29.439 29.439 31.212 -1.773 18389 7099 1 8 . 1 1 136 136 MET H H 136 7.585 7.585 7.988 -0.403 18389 7100 1 8 . 1 1 137 137 SER N N 137 118.130 118.130 114.690 3.440 18389 7101 1 8 . 1 1 137 137 SER HA H 137 4.392 4.392 4.495 -0.103 18389 7102 1 8 . 1 1 137 137 SER C C 137 174.811 174.811 176.155 -1.344 18389 7103 1 8 . 1 1 137 137 SER CA C 137 57.841 57.841 59.181 -1.340 18389 7104 1 8 . 1 1 137 137 SER CB C 137 62.369 62.369 63.719 -1.350 18389 7105 1 8 . 1 1 137 137 SER H H 137 9.140 9.140 8.377 0.763 18389 7106 1 8 . 1 1 138 138 GLY N N 138 114.534 114.534 109.740 4.794 18389 7107 1 8 . 1 1 138 138 GLY C C 138 170.903 170.903 173.879 -2.976 18389 7108 1 8 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.486 -1.289 18389 7109 1 8 . 1 1 138 138 GLY H H 138 10.549 10.549 8.920 1.629 18389 7110 1 8 . 1 1 139 139 THR N N 139 112.564 112.564 112.102 0.462 18389 7111 1 8 . 1 1 139 139 THR HA H 139 4.538 4.538 4.419 0.119 18389 7112 1 8 . 1 1 139 139 THR C C 139 168.086 168.086 173.260 -5.174 18389 7113 1 8 . 1 1 139 139 THR CA C 139 57.132 57.132 59.261 -2.129 18389 7114 1 8 . 1 1 139 139 THR CB C 139 68.854 68.854 71.763 -2.909 18389 7115 1 8 . 1 1 139 139 THR H H 139 8.504 8.504 7.471 1.033 18389 7116 1 8 . 1 1 140 140 LEU N N 140 129.971 129.971 118.832 11.139 18389 7117 1 8 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.245 -0.474 18389 7118 1 8 . 1 1 140 140 LEU C C 140 172.175 172.175 175.848 -3.673 18389 7119 1 8 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.769 -2.433 18389 7120 1 8 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.744 -5.872 18389 7121 1 8 . 1 1 140 140 LEU H H 140 7.900 7.900 7.564 0.336 18389 7122 1 8 . 1 1 141 141 ASP N N 141 132.200 132.200 126.396 5.804 18389 7123 1 8 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.771 -0.067 18389 7124 1 8 . 1 1 141 141 ASP C C 141 172.137 172.137 176.436 -4.299 18389 7125 1 8 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.595 -1.903 18389 7126 1 8 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.050 -2.489 18389 7127 1 8 . 1 1 141 141 ASP H H 141 9.101 9.101 9.122 -0.021 18389 7128 1 8 . 1 1 142 142 LEU N N 142 122.667 122.667 123.363 -0.696 18389 7129 1 8 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.754 -0.014 18389 7130 1 8 . 1 1 142 142 LEU CA C 142 53.747 53.747 57.318 -3.571 18389 7131 1 8 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.371 -1.473 18389 7132 1 8 . 1 1 142 142 LEU H H 142 7.799 7.799 7.956 -0.157 18389 7133 1 8 . 1 1 143 143 ASP N N 143 112.789 112.789 116.108 -3.319 18389 7134 1 8 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.288 0.628 18389 7135 1 8 . 1 1 143 143 ASP C C 143 173.547 173.547 176.352 -2.805 18389 7136 1 8 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.318 -5.217 18389 7137 1 8 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.374 -3.076 18389 7138 1 8 . 1 1 143 143 ASP H H 143 8.473 8.473 8.245 0.228 18389 7139 1 8 . 1 1 144 144 ASN N N 144 120.743 120.743 116.713 4.030 18389 7140 1 8 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.827 0.252 18389 7141 1 8 . 1 1 144 144 ASN C C 144 171.278 171.278 173.094 -1.816 18389 7142 1 8 . 1 1 144 144 ASN CA C 144 49.474 49.474 51.996 -2.522 18389 7143 1 8 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.264 -1.085 18389 7144 1 8 . 1 1 144 144 ASN H H 144 7.867 7.867 7.747 0.120 18389 7145 1 8 . 1 1 145 145 ILE N N 145 122.844 122.844 120.222 2.622 18389 7146 1 8 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.226 -0.386 18389 7147 1 8 . 1 1 145 145 ILE C C 145 172.420 172.420 175.443 -3.023 18389 7148 1 8 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.239 -1.378 18389 7149 1 8 . 1 1 145 145 ILE CB C 145 33.407 33.407 38.328 -4.921 18389 7150 1 8 . 1 1 145 145 ILE H H 145 8.770 8.770 7.859 0.911 18389 7151 1 8 . 1 1 146 146 ASP N N 146 125.428 125.428 126.272 -0.844 18389 7152 1 8 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.643 0.010 18389 7153 1 8 . 1 1 146 146 ASP C C 146 172.931 172.931 175.675 -2.744 18389 7154 1 8 . 1 1 146 146 ASP CA C 146 53.352 53.352 56.035 -2.683 18389 7155 1 8 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.620 0.291 18389 7156 1 8 . 1 1 146 146 ASP H H 146 9.355 9.355 8.994 0.361 18389 7157 1 8 . 1 1 147 147 SER N N 147 108.442 108.442 111.024 -2.582 18389 7158 1 8 . 1 1 147 147 SER HA H 147 5.054 5.054 5.310 -0.256 18389 7159 1 8 . 1 1 147 147 SER C C 147 169.957 169.957 172.718 -2.761 18389 7160 1 8 . 1 1 147 147 SER CA C 147 54.584 54.584 57.272 -2.688 18389 7161 1 8 . 1 1 147 147 SER CB C 147 62.518 62.518 66.762 -4.244 18389 7162 1 8 . 1 1 147 147 SER H H 147 7.927 7.927 7.714 0.213 18389 7163 1 8 . 1 1 148 148 ILE N N 148 110.150 110.150 114.746 -4.596 18389 7164 1 8 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.245 0.404 18389 7165 1 8 . 1 1 148 148 ILE C C 148 171.932 171.932 174.067 -2.135 18389 7166 1 8 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.348 -2.726 18389 7167 1 8 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.782 -3.069 18389 7168 1 8 . 1 1 148 148 ILE H H 148 8.043 8.043 8.812 -0.769 18389 7169 1 8 . 1 1 149 149 HIS N N 149 118.612 118.612 121.613 -3.001 18389 7170 1 8 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.253 1.237 18389 7171 1 8 . 1 1 149 149 HIS C C 149 174.287 174.287 174.445 -0.158 18389 7172 1 8 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.793 -2.891 18389 7173 1 8 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.291 -0.332 18389 7174 1 8 . 1 1 149 149 HIS H H 149 9.331 9.331 9.143 0.188 18389 7175 1 8 . 1 1 150 150 PHE N N 150 117.037 117.037 122.772 -5.735 18389 7176 1 8 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.536 0.994 18389 7177 1 8 . 1 1 150 150 PHE C C 150 172.808 172.808 175.120 -2.312 18389 7178 1 8 . 1 1 150 150 PHE CA C 150 56.503 56.503 58.647 -2.143 18389 7179 1 8 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.108 -0.828 18389 7180 1 8 . 1 1 150 150 PHE H H 150 8.788 8.788 8.168 0.620 18389 7181 1 8 . 1 1 151 151 MET N N 151 119.781 119.781 118.673 1.108 18389 7182 1 8 . 1 1 151 151 MET HA H 151 4.664 4.664 4.722 -0.058 18389 7183 1 8 . 1 1 151 151 MET C C 151 170.282 170.282 174.560 -4.278 18389 7184 1 8 . 1 1 151 151 MET CA C 151 52.146 52.146 53.816 -1.670 18389 7185 1 8 . 1 1 151 151 MET CB C 151 34.947 34.947 37.429 -2.482 18389 7186 1 8 . 1 1 151 151 MET H H 151 9.761 9.761 8.597 1.164 18389 7187 1 8 . 1 1 152 152 TYR N N 152 117.149 117.149 119.704 -2.555 18389 7188 1 8 . 1 1 152 152 TYR HA H 152 4.076 4.076 3.619 0.457 18389 7189 1 8 . 1 1 152 152 TYR C C 152 171.554 171.554 174.041 -2.487 18389 7190 1 8 . 1 1 152 152 TYR CA C 152 55.345 55.345 58.127 -2.782 18389 7191 1 8 . 1 1 152 152 TYR CB C 152 36.904 36.904 37.016 -0.112 18389 7192 1 8 . 1 1 152 152 TYR H H 152 6.275 6.275 8.709 -2.434 18389 7193 1 8 . 1 1 153 153 ALA N N 153 121.523 121.523 123.816 -2.293 18389 7194 1 8 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.340 -0.177 18389 7195 1 8 . 1 1 153 153 ALA C C 153 173.777 173.777 175.269 -1.492 18389 7196 1 8 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.041 -2.856 18389 7197 1 8 . 1 1 153 153 ALA CB C 153 19.965 19.965 20.154 -0.189 18389 7198 1 8 . 1 1 153 153 ALA H H 153 10.019 10.019 8.493 1.526 18389 7199 1 8 . 1 1 154 154 ASN N N 154 114.643 114.643 115.643 -1.000 18389 7200 1 8 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.878 0.306 18389 7201 1 8 . 1 1 154 154 ASN C C 154 173.267 173.267 173.323 -0.056 18389 7202 1 8 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.741 -2.826 18389 7203 1 8 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.205 -3.492 18389 7204 1 8 . 1 1 154 154 ASN H H 154 8.141 8.141 7.652 0.489 18389 7205 1 8 . 1 1 156 156 LYS N N 156 119.099 119.099 122.332 -3.233 18389 7206 1 8 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.462 0.276 18389 7207 1 8 . 1 1 156 156 LYS C C 156 173.965 173.965 176.334 -2.369 18389 7208 1 8 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.487 -2.615 18389 7209 1 8 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.269 -2.843 18389 7210 1 8 . 1 1 156 156 LYS H H 156 8.298 8.298 7.834 0.464 18389 7211 1 8 . 1 1 157 157 SER N N 157 115.584 115.584 118.627 -3.043 18389 7212 1 8 . 1 1 157 157 SER HA H 157 5.055 5.055 4.923 0.132 18389 7213 1 8 . 1 1 157 157 SER C C 157 169.925 169.925 174.993 -5.068 18389 7214 1 8 . 1 1 157 157 SER CA C 157 55.617 55.617 58.919 -3.301 18389 7215 1 8 . 1 1 157 157 SER CB C 157 63.180 63.180 63.895 -0.715 18389 7216 1 8 . 1 1 157 157 SER H H 157 8.240 8.240 8.507 -0.267 18389 7217 1 8 . 1 1 158 158 GLY N N 158 108.219 108.219 111.299 -3.080 18389 7218 1 8 . 1 1 158 158 GLY C C 158 168.322 168.322 171.493 -3.171 18389 7219 1 8 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.407 -1.842 18389 7220 1 8 . 1 1 158 158 GLY H H 158 6.942 6.942 8.392 -1.450 18389 7221 1 8 . 1 1 159 159 LYS N N 159 116.608 116.608 120.408 -3.800 18389 7222 1 8 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.370 0.151 18389 7223 1 8 . 1 1 159 159 LYS C C 159 172.966 172.966 174.575 -1.609 18389 7224 1 8 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.627 -1.486 18389 7225 1 8 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.293 -1.588 18389 7226 1 8 . 1 1 159 159 LYS H H 159 7.925 7.925 8.065 -0.140 18389 7227 1 8 . 1 1 160 160 PHE N N 160 121.804 121.804 119.510 2.294 18389 7228 1 8 . 1 1 160 160 PHE HA H 160 5.525 5.525 4.804 0.721 18389 7229 1 8 . 1 1 160 160 PHE C C 160 168.125 168.125 173.993 -5.868 18389 7230 1 8 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.678 -3.363 18389 7231 1 8 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.593 -4.542 18389 7232 1 8 . 1 1 160 160 PHE H H 160 8.834 8.834 9.210 -0.376 18389 7233 1 8 . 1 1 161 161 VAL N N 161 119.787 119.787 114.523 5.264 18389 7234 1 8 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.144 0.234 18389 7235 1 8 . 1 1 161 161 VAL C C 161 170.736 170.736 174.451 -3.715 18389 7236 1 8 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.089 -3.433 18389 7237 1 8 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.388 -3.451 18389 7238 1 8 . 1 1 161 161 VAL H H 161 9.277 9.277 8.678 0.599 18389 7239 1 8 . 1 1 162 162 VAL N N 162 121.357 121.357 119.347 2.010 18389 7240 1 8 . 1 1 162 162 VAL HA H 162 5.967 5.967 4.983 0.984 18389 7241 1 8 . 1 1 162 162 VAL C C 162 170.928 170.928 173.871 -2.943 18389 7242 1 8 . 1 1 162 162 VAL CA C 162 55.686 55.686 60.249 -4.563 18389 7243 1 8 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.737 -1.895 18389 7244 1 8 . 1 1 162 162 VAL H H 162 8.453 8.453 8.432 0.021 18389 7245 1 8 . 1 1 163 163 ASP N N 163 119.088 119.088 122.884 -3.796 18389 7246 1 8 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.242 0.337 18389 7247 1 8 . 1 1 163 163 ASP C C 163 172.563 172.563 174.472 -1.909 18389 7248 1 8 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.575 -3.093 18389 7249 1 8 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.518 -2.055 18389 7250 1 8 . 1 1 163 163 ASP H H 163 9.233 9.233 9.007 0.226 18389 7251 1 8 . 1 1 164 164 ASN N N 164 117.316 117.316 119.294 -1.978 18389 7252 1 8 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.450 0.199 18389 7253 1 8 . 1 1 164 164 ASN C C 164 170.940 170.940 173.631 -2.691 18389 7254 1 8 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.686 -2.014 18389 7255 1 8 . 1 1 164 164 ASN CB C 164 35.395 35.395 38.174 -2.779 18389 7256 1 8 . 1 1 164 164 ASN H H 164 9.864 9.864 8.931 0.933 18389 7257 1 8 . 1 1 165 165 ILE N N 165 118.660 118.660 122.476 -3.816 18389 7258 1 8 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.848 0.591 18389 7259 1 8 . 1 1 165 165 ILE C C 165 173.336 173.336 174.071 -0.735 18389 7260 1 8 . 1 1 165 165 ILE CA C 165 59.155 59.155 60.738 -1.583 18389 7261 1 8 . 1 1 165 165 ILE CB C 165 35.187 35.187 40.471 -5.284 18389 7262 1 8 . 1 1 165 165 ILE H H 165 8.716 8.716 8.800 -0.084 18389 7263 1 8 . 1 1 166 166 LYS N N 166 127.896 127.896 124.573 3.323 18389 7264 1 8 . 1 1 166 166 LYS HA H 166 5.178 5.178 4.962 0.216 18389 7265 1 8 . 1 1 166 166 LYS C C 166 170.453 170.453 174.298 -3.845 18389 7266 1 8 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.860 -1.336 18389 7267 1 8 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.593 -1.347 18389 7268 1 8 . 1 1 166 166 LYS H H 166 9.921 9.921 9.094 0.827 18389 7269 1 8 . 1 1 167 167 LEU N N 167 120.747 120.747 121.635 -0.888 18389 7270 1 8 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.452 0.384 18389 7271 1 8 . 1 1 167 167 LEU C C 167 173.703 173.703 175.682 -1.979 18389 7272 1 8 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.873 -3.294 18389 7273 1 8 . 1 1 167 167 LEU CB C 167 40.711 40.711 41.811 -1.100 18389 7274 1 8 . 1 1 167 167 LEU H H 167 8.552 8.552 8.612 -0.060 18389 7275 1 8 . 1 1 168 168 ILE N N 168 116.914 116.914 121.162 -4.248 18389 7276 1 8 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.569 0.420 18389 7277 1 8 . 1 1 168 168 ILE C C 168 173.923 173.923 175.628 -1.705 18389 7278 1 8 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.994 -1.618 18389 7279 1 8 . 1 1 168 168 ILE CB C 168 38.938 38.938 39.341 -0.403 18389 7280 1 8 . 1 1 168 168 ILE H H 168 8.523 8.523 8.775 -0.252 18389 7281 1 8 . 1 1 169 169 GLY N N 169 114.527 114.527 114.172 0.355 18389 7282 1 8 . 1 1 169 169 GLY C C 169 169.252 169.252 172.907 -3.655 18389 7283 1 8 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.126 -1.201 18389 7284 1 8 . 1 1 169 169 GLY H H 169 8.942 8.942 8.994 -0.052 18389 7285 1 8 . 1 1 170 170 ALA N N 170 123.678 123.678 121.438 2.240 18389 7286 1 8 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.622 -0.198 18389 7287 1 8 . 1 1 170 170 ALA C C 170 174.985 174.985 176.708 -1.723 18389 7288 1 8 . 1 1 170 170 ALA CA C 170 49.344 49.344 52.016 -2.672 18389 7289 1 8 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.664 -2.577 18389 7290 1 8 . 1 1 170 170 ALA H H 170 8.321 8.321 8.153 0.168 18389 7291 1 8 . 1 1 171 171 LEU N N 171 122.139 122.139 118.105 4.034 18389 7292 1 8 . 1 1 171 171 LEU HA H 171 4.405 4.405 5.068 -0.663 18389 7293 1 8 . 1 1 171 171 LEU C C 171 174.478 174.478 175.722 -1.244 18389 7294 1 8 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.840 -2.207 18389 7295 1 8 . 1 1 171 171 LEU CB C 171 40.111 40.111 43.860 -3.749 18389 7296 1 8 . 1 1 171 171 LEU H H 171 8.182 8.182 8.242 -0.060 18389 7297 1 9 . 1 1 2 2 ALA N N 2 119.048 119.048 123.781 -4.733 18389 7298 1 9 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.632 -0.348 18389 7299 1 9 . 1 1 2 2 ALA C C 2 174.144 174.144 177.390 -3.246 18389 7300 1 9 . 1 1 2 2 ALA CA C 2 48.383 48.383 52.082 -3.699 18389 7301 1 9 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.590 0.239 18389 7302 1 9 . 1 1 2 2 ALA H H 2 9.577 9.577 8.426 1.151 18389 7303 1 9 . 1 1 3 3 SER N N 3 114.278 114.278 115.566 -1.288 18389 7304 1 9 . 1 1 3 3 SER C C 3 173.040 173.040 174.782 -1.742 18389 7305 1 9 . 1 1 3 3 SER H H 3 8.152 8.152 7.935 0.217 18389 7306 1 9 . 1 1 6 6 GLY N N 6 112.362 112.362 106.167 6.195 18389 7307 1 9 . 1 1 6 6 GLY C C 6 170.686 170.686 171.517 -0.831 18389 7308 1 9 . 1 1 6 6 GLY CA C 6 43.313 43.313 44.369 -1.056 18389 7309 1 9 . 1 1 6 6 GLY H H 6 8.750 8.750 7.697 1.053 18389 7310 1 9 . 1 1 7 7 GLU N N 7 117.722 117.722 121.840 -4.118 18389 7311 1 9 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.453 -0.024 18389 7312 1 9 . 1 1 7 7 GLU C C 7 172.744 172.744 175.563 -2.819 18389 7313 1 9 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.295 -2.047 18389 7314 1 9 . 1 1 7 7 GLU CB C 7 31.170 31.170 32.777 -1.607 18389 7315 1 9 . 1 1 7 7 GLU H H 7 8.078 8.078 8.417 -0.339 18389 7316 1 9 . 1 1 8 8 LYS N N 8 122.832 122.832 122.509 0.323 18389 7317 1 9 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.590 -0.051 18389 7318 1 9 . 1 1 8 8 LYS C C 8 171.963 171.963 175.041 -3.078 18389 7319 1 9 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.430 -1.865 18389 7320 1 9 . 1 1 8 8 LYS CB C 8 33.185 33.185 34.717 -1.532 18389 7321 1 9 . 1 1 8 8 LYS H H 8 8.434 8.434 8.633 -0.199 18389 7322 1 9 . 1 1 9 9 MET N N 9 128.562 128.562 123.007 5.555 18389 7323 1 9 . 1 1 9 9 MET HA H 9 4.536 4.536 4.474 0.062 18389 7324 1 9 . 1 1 9 9 MET C C 9 172.911 172.911 176.055 -3.144 18389 7325 1 9 . 1 1 9 9 MET CA C 9 53.012 53.012 55.021 -2.009 18389 7326 1 9 . 1 1 9 9 MET CB C 9 28.376 28.376 32.668 -4.292 18389 7327 1 9 . 1 1 9 9 MET H H 9 8.984 8.984 8.773 0.211 18389 7328 1 9 . 1 1 10 10 LEU N N 10 129.881 129.881 122.833 7.048 18389 7329 1 9 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.609 0.055 18389 7330 1 9 . 1 1 10 10 LEU C C 10 174.887 174.887 176.814 -1.927 18389 7331 1 9 . 1 1 10 10 LEU CA C 10 53.213 53.213 56.000 -2.787 18389 7332 1 9 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.810 -3.411 18389 7333 1 9 . 1 1 10 10 LEU H H 10 9.751 9.751 8.788 0.963 18389 7334 1 9 . 1 1 11 11 ASP N N 11 115.516 115.516 117.334 -1.818 18389 7335 1 9 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.810 -0.087 18389 7336 1 9 . 1 1 11 11 ASP C C 11 170.836 170.836 174.384 -3.548 18389 7337 1 9 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.910 -0.327 18389 7338 1 9 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.489 -3.271 18389 7339 1 9 . 1 1 11 11 ASP H H 11 8.110 8.110 7.893 0.217 18389 7340 1 9 . 1 1 12 12 ASP N N 12 124.144 124.144 125.659 -1.515 18389 7341 1 9 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.983 -0.132 18389 7342 1 9 . 1 1 12 12 ASP C C 12 175.055 175.055 176.462 -1.407 18389 7343 1 9 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.716 -2.406 18389 7344 1 9 . 1 1 12 12 ASP CB C 12 38.195 38.195 40.604 -2.409 18389 7345 1 9 . 1 1 12 12 ASP H H 12 8.053 8.053 8.695 -0.642 18389 7346 1 9 . 1 1 13 13 PHE N N 13 117.584 117.584 113.393 4.191 18389 7347 1 9 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.529 -0.257 18389 7348 1 9 . 1 1 13 13 PHE C C 13 171.960 171.960 175.410 -3.450 18389 7349 1 9 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.206 -0.293 18389 7350 1 9 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.670 -4.495 18389 7351 1 9 . 1 1 13 13 PHE H H 13 9.327 9.327 7.398 1.929 18389 7352 1 9 . 1 1 14 14 GLU N N 14 113.122 113.122 117.514 -4.392 18389 7353 1 9 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.506 0.543 18389 7354 1 9 . 1 1 14 14 GLU C C 14 175.300 175.300 178.057 -2.757 18389 7355 1 9 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.401 -5.420 18389 7356 1 9 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.883 -4.889 18389 7357 1 9 . 1 1 14 14 GLU H H 14 8.165 8.165 8.380 -0.215 18389 7358 1 9 . 1 1 15 15 GLY N N 15 110.108 110.108 108.904 1.204 18389 7359 1 9 . 1 1 15 15 GLY C C 15 171.609 171.609 174.378 -2.769 18389 7360 1 9 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.706 -2.852 18389 7361 1 9 . 1 1 15 15 GLY H H 15 8.117 8.117 8.127 -0.010 18389 7362 1 9 . 1 1 16 16 VAL N N 16 121.792 121.792 121.974 -0.182 18389 7363 1 9 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.241 0.030 18389 7364 1 9 . 1 1 16 16 VAL C C 16 173.203 173.203 176.472 -3.269 18389 7365 1 9 . 1 1 16 16 VAL CA C 16 59.283 59.283 61.767 -2.484 18389 7366 1 9 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.786 -2.585 18389 7367 1 9 . 1 1 16 16 VAL H H 16 8.190 8.190 8.031 0.159 18389 7368 1 9 . 1 1 17 17 LEU N N 17 124.682 124.682 126.771 -2.089 18389 7369 1 9 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.383 0.515 18389 7370 1 9 . 1 1 17 17 LEU C C 17 174.685 174.685 176.446 -1.761 18389 7371 1 9 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.629 -2.831 18389 7372 1 9 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.787 -3.651 18389 7373 1 9 . 1 1 17 17 LEU H H 17 8.500 8.500 8.481 0.019 18389 7374 1 9 . 1 1 18 18 ASN N N 18 127.589 127.589 122.223 5.366 18389 7375 1 9 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.491 0.656 18389 7376 1 9 . 1 1 18 18 ASN C C 18 171.583 171.583 173.637 -2.054 18389 7377 1 9 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.059 -1.081 18389 7378 1 9 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.484 -1.341 18389 7379 1 9 . 1 1 18 18 ASN H H 18 9.956 9.956 8.299 1.657 18389 7380 1 9 . 1 1 19 19 TRP N N 19 119.913 119.913 119.256 0.657 18389 7381 1 9 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.143 -0.085 18389 7382 1 9 . 1 1 19 19 TRP C C 19 174.918 174.918 176.418 -1.500 18389 7383 1 9 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.667 -0.291 18389 7384 1 9 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.842 -4.442 18389 7385 1 9 . 1 1 19 19 TRP H H 19 7.057 7.057 7.334 -0.277 18389 7386 1 9 . 1 1 20 20 GLY N N 20 112.934 112.934 110.679 2.255 18389 7387 1 9 . 1 1 20 20 GLY C C 20 171.436 171.436 173.604 -2.168 18389 7388 1 9 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.114 -4.174 18389 7389 1 9 . 1 1 20 20 GLY H H 20 9.622 9.622 8.960 0.662 18389 7390 1 9 . 1 1 21 21 SER N N 21 114.752 114.752 116.280 -1.528 18389 7391 1 9 . 1 1 21 21 SER HA H 21 5.686 5.686 4.828 0.858 18389 7392 1 9 . 1 1 21 21 SER C C 21 170.314 170.314 173.319 -3.005 18389 7393 1 9 . 1 1 21 21 SER CA C 21 55.911 55.911 57.843 -1.932 18389 7394 1 9 . 1 1 21 21 SER CB C 21 64.070 64.070 66.126 -2.056 18389 7395 1 9 . 1 1 21 21 SER H H 21 8.899 8.899 8.486 0.413 18389 7396 1 9 . 1 1 22 22 TYR N N 22 118.001 118.001 120.433 -2.432 18389 7397 1 9 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.960 0.340 18389 7398 1 9 . 1 1 22 22 TYR C C 22 170.760 170.760 173.181 -2.421 18389 7399 1 9 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.037 -3.387 18389 7400 1 9 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.124 -2.300 18389 7401 1 9 . 1 1 22 22 TYR H H 22 8.807 8.807 8.058 0.749 18389 7402 1 9 . 1 1 23 23 SER N N 23 109.826 109.826 115.080 -5.254 18389 7403 1 9 . 1 1 23 23 SER HA H 23 4.912 4.912 5.318 -0.406 18389 7404 1 9 . 1 1 23 23 SER C C 23 169.918 169.918 173.438 -3.520 18389 7405 1 9 . 1 1 23 23 SER CA C 23 55.664 55.664 57.069 -1.405 18389 7406 1 9 . 1 1 23 23 SER CB C 23 62.361 62.361 66.836 -4.475 18389 7407 1 9 . 1 1 23 23 SER H H 23 8.435 8.435 8.325 0.110 18389 7408 1 9 . 1 1 24 24 GLY N N 24 103.788 103.788 107.569 -3.781 18389 7409 1 9 . 1 1 24 24 GLY C C 24 170.240 170.240 173.673 -3.433 18389 7410 1 9 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.618 -1.851 18389 7411 1 9 . 1 1 24 24 GLY H H 24 7.339 7.339 8.282 -0.943 18389 7412 1 9 . 1 1 25 25 GLU N N 25 116.420 116.420 117.943 -1.523 18389 7413 1 9 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.932 0.177 18389 7414 1 9 . 1 1 25 25 GLU C C 25 173.683 173.683 176.607 -2.924 18389 7415 1 9 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.957 -4.270 18389 7416 1 9 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.470 -3.324 18389 7417 1 9 . 1 1 25 25 GLU H H 25 8.962 8.962 8.940 0.022 18389 7418 1 9 . 1 1 26 26 GLY N N 26 106.660 106.660 101.973 4.687 18389 7419 1 9 . 1 1 26 26 GLY C C 26 171.638 171.638 173.247 -1.609 18389 7420 1 9 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.635 -1.462 18389 7421 1 9 . 1 1 26 26 GLY H H 26 8.483 8.483 8.213 0.270 18389 7422 1 9 . 1 1 27 27 ALA N N 27 123.407 123.407 122.778 0.629 18389 7423 1 9 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.307 0.340 18389 7424 1 9 . 1 1 27 27 ALA C C 27 174.232 174.232 176.298 -2.066 18389 7425 1 9 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.619 -2.056 18389 7426 1 9 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.537 -2.999 18389 7427 1 9 . 1 1 27 27 ALA H H 27 7.182 7.182 7.606 -0.424 18389 7428 1 9 . 1 1 28 28 LYS N N 28 117.590 117.590 120.425 -2.835 18389 7429 1 9 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.516 0.376 18389 7430 1 9 . 1 1 28 28 LYS C C 28 171.365 171.365 175.236 -3.871 18389 7431 1 9 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.723 -3.304 18389 7432 1 9 . 1 1 28 28 LYS CB C 28 34.544 34.544 34.219 0.325 18389 7433 1 9 . 1 1 28 28 LYS H H 28 8.650 8.650 8.817 -0.167 18389 7434 1 9 . 1 1 29 29 VAL N N 29 118.148 118.148 125.219 -7.071 18389 7435 1 9 . 1 1 29 29 VAL HA H 29 5.241 5.241 3.533 1.708 18389 7436 1 9 . 1 1 29 29 VAL C C 29 169.809 169.809 175.225 -5.416 18389 7437 1 9 . 1 1 29 29 VAL CA C 29 57.083 57.083 61.948 -4.865 18389 7438 1 9 . 1 1 29 29 VAL CB C 29 31.475 31.475 32.687 -1.212 18389 7439 1 9 . 1 1 29 29 VAL H H 29 8.327 8.327 8.410 -0.083 18389 7440 1 9 . 1 1 30 30 SER N N 30 120.964 120.964 120.876 0.088 18389 7441 1 9 . 1 1 30 30 SER HA H 30 4.993 4.993 4.736 0.257 18389 7442 1 9 . 1 1 30 30 SER C C 30 170.354 170.354 172.268 -1.914 18389 7443 1 9 . 1 1 30 30 SER CA C 30 54.438 54.438 58.185 -3.747 18389 7444 1 9 . 1 1 30 30 SER CB C 30 63.262 63.262 66.003 -2.741 18389 7445 1 9 . 1 1 30 30 SER H H 30 8.797 8.797 8.052 0.745 18389 7446 1 9 . 1 1 31 31 THR N N 31 112.970 112.970 120.151 -7.181 18389 7447 1 9 . 1 1 31 31 THR HA H 31 5.618 5.618 5.327 0.291 18389 7448 1 9 . 1 1 31 31 THR C C 31 171.857 171.857 173.820 -1.963 18389 7449 1 9 . 1 1 31 31 THR CA C 31 56.212 56.212 60.882 -4.670 18389 7450 1 9 . 1 1 31 31 THR CB C 31 69.719 69.719 70.909 -1.190 18389 7451 1 9 . 1 1 31 31 THR H H 31 8.384 8.384 8.314 0.070 18389 7452 1 9 . 1 1 32 32 LYS N N 32 119.710 119.710 124.608 -4.898 18389 7453 1 9 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.775 -0.049 18389 7454 1 9 . 1 1 32 32 LYS C C 32 171.734 171.734 175.090 -3.356 18389 7455 1 9 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.592 -1.619 18389 7456 1 9 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.052 -1.958 18389 7457 1 9 . 1 1 32 32 LYS H H 32 8.530 8.530 8.781 -0.251 18389 7458 1 9 . 1 1 33 33 ILE N N 33 124.276 124.276 122.255 2.021 18389 7459 1 9 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.547 0.427 18389 7460 1 9 . 1 1 33 33 ILE C C 33 173.578 173.578 175.886 -2.308 18389 7461 1 9 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.938 -3.499 18389 7462 1 9 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.682 -5.219 18389 7463 1 9 . 1 1 33 33 ILE H H 33 8.669 8.669 8.472 0.197 18389 7464 1 9 . 1 1 34 34 VAL N N 34 121.698 121.698 121.791 -0.093 18389 7465 1 9 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.701 0.166 18389 7466 1 9 . 1 1 34 34 VAL C C 34 172.702 172.702 174.695 -1.993 18389 7467 1 9 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.400 -2.741 18389 7468 1 9 . 1 1 34 34 VAL CB C 34 33.909 33.909 35.439 -1.530 18389 7469 1 9 . 1 1 34 34 VAL H H 34 8.463 8.463 8.506 -0.043 18389 7470 1 9 . 1 1 35 35 SER N N 35 115.704 115.704 117.635 -1.931 18389 7471 1 9 . 1 1 35 35 SER HA H 35 4.590 4.590 4.670 -0.080 18389 7472 1 9 . 1 1 35 35 SER CA C 35 58.345 58.345 59.320 -0.975 18389 7473 1 9 . 1 1 35 35 SER CB C 35 60.619 60.619 63.184 -2.564 18389 7474 1 9 . 1 1 35 35 SER H H 35 8.271 8.271 8.379 -0.108 18389 7475 1 9 . 1 1 36 36 GLY N N 36 113.970 113.970 112.735 1.235 18389 7476 1 9 . 1 1 36 36 GLY C C 36 170.257 170.257 173.537 -3.280 18389 7477 1 9 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.264 -2.566 18389 7478 1 9 . 1 1 36 36 GLY H H 36 9.267 9.267 7.905 1.362 18389 7479 1 9 . 1 1 37 37 LYS N N 37 129.227 129.227 118.650 10.577 18389 7480 1 9 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.006 -0.651 18389 7481 1 9 . 1 1 37 37 LYS C C 37 174.912 174.912 176.440 -1.528 18389 7482 1 9 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.925 -2.370 18389 7483 1 9 . 1 1 37 37 LYS CB C 37 29.409 29.409 33.196 -3.787 18389 7484 1 9 . 1 1 37 37 LYS H H 37 8.484 8.484 8.626 -0.142 18389 7485 1 9 . 1 1 38 38 THR N N 38 109.924 109.924 111.671 -1.747 18389 7486 1 9 . 1 1 38 38 THR HA H 38 4.398 4.398 4.442 -0.044 18389 7487 1 9 . 1 1 38 38 THR C C 38 171.818 171.818 173.857 -2.039 18389 7488 1 9 . 1 1 38 38 THR CA C 38 57.223 57.223 61.428 -4.205 18389 7489 1 9 . 1 1 38 38 THR CB C 38 67.805 67.805 70.682 -2.877 18389 7490 1 9 . 1 1 38 38 THR H H 38 7.549 7.549 7.944 -0.395 18389 7491 1 9 . 1 1 40 40 ASN N N 40 129.674 129.674 122.458 7.216 18389 7492 1 9 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.146 0.377 18389 7493 1 9 . 1 1 40 40 ASN C C 40 173.717 173.717 175.139 -1.422 18389 7494 1 9 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.325 -2.003 18389 7495 1 9 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.301 -3.113 18389 7496 1 9 . 1 1 40 40 ASN H H 40 10.958 10.958 8.740 2.218 18389 7497 1 9 . 1 1 41 41 GLY N N 41 111.261 111.261 106.286 4.975 18389 7498 1 9 . 1 1 41 41 GLY C C 41 166.652 166.652 171.974 -5.322 18389 7499 1 9 . 1 1 41 41 GLY CA C 41 41.711 41.711 44.563 -2.852 18389 7500 1 9 . 1 1 41 41 GLY H H 41 9.674 9.674 8.736 0.938 18389 7501 1 9 . 1 1 42 42 MET N N 42 119.165 119.165 119.763 -0.598 18389 7502 1 9 . 1 1 42 42 MET HA H 42 4.849 4.849 5.308 -0.459 18389 7503 1 9 . 1 1 42 42 MET C C 42 171.154 171.154 173.447 -2.293 18389 7504 1 9 . 1 1 42 42 MET CA C 42 51.503 51.503 54.274 -2.771 18389 7505 1 9 . 1 1 42 42 MET CB C 42 33.293 33.293 37.060 -3.768 18389 7506 1 9 . 1 1 42 42 MET H H 42 7.550 7.550 8.781 -1.231 18389 7507 1 9 . 1 1 43 43 GLU N N 43 128.221 128.221 124.281 3.940 18389 7508 1 9 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.415 -0.549 18389 7509 1 9 . 1 1 43 43 GLU C C 43 172.612 172.612 174.377 -1.765 18389 7510 1 9 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.132 -2.453 18389 7511 1 9 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.733 -3.337 18389 7512 1 9 . 1 1 43 43 GLU H H 43 9.355 9.355 9.237 0.118 18389 7513 1 9 . 1 1 44 44 VAL N N 44 131.011 131.011 121.387 9.624 18389 7514 1 9 . 1 1 44 44 VAL HA H 44 4.362 4.362 5.162 -0.800 18389 7515 1 9 . 1 1 44 44 VAL C C 44 171.752 171.752 173.435 -1.683 18389 7516 1 9 . 1 1 44 44 VAL CA C 44 58.335 58.335 60.009 -1.674 18389 7517 1 9 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.574 -6.624 18389 7518 1 9 . 1 1 44 44 VAL H H 44 9.002 9.002 8.852 0.150 18389 7519 1 9 . 1 1 45 45 SER N N 45 120.764 120.764 121.807 -1.043 18389 7520 1 9 . 1 1 45 45 SER HA H 45 4.975 4.975 5.066 -0.091 18389 7521 1 9 . 1 1 45 45 SER C C 45 170.500 170.500 172.426 -1.926 18389 7522 1 9 . 1 1 45 45 SER CA C 45 53.547 53.547 56.312 -2.765 18389 7523 1 9 . 1 1 45 45 SER CB C 45 61.650 61.650 65.467 -3.817 18389 7524 1 9 . 1 1 45 45 SER H H 45 8.511 8.511 8.899 -0.388 18389 7525 1 9 . 1 1 46 46 TYR N N 46 123.478 123.478 122.603 0.875 18389 7526 1 9 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.185 0.090 18389 7527 1 9 . 1 1 46 46 TYR C C 46 171.644 171.644 175.502 -3.858 18389 7528 1 9 . 1 1 46 46 TYR CA C 46 52.235 52.235 57.112 -4.877 18389 7529 1 9 . 1 1 46 46 TYR CB C 46 37.465 37.465 43.592 -6.127 18389 7530 1 9 . 1 1 46 46 TYR H H 46 8.511 8.511 8.908 -0.397 18389 7531 1 9 . 1 1 47 47 THR N N 47 118.641 118.641 120.025 -1.384 18389 7532 1 9 . 1 1 47 47 THR HA H 47 4.793 4.793 4.445 0.348 18389 7533 1 9 . 1 1 47 47 THR C C 47 171.614 171.614 174.316 -2.702 18389 7534 1 9 . 1 1 47 47 THR CA C 47 58.267 58.267 62.566 -4.298 18389 7535 1 9 . 1 1 47 47 THR CB C 47 68.820 68.820 69.859 -1.039 18389 7536 1 9 . 1 1 47 47 THR H H 47 8.935 8.935 8.147 0.788 18389 7537 1 9 . 1 1 48 48 GLY N N 48 112.467 112.467 112.764 -0.297 18389 7538 1 9 . 1 1 48 48 GLY C C 48 170.521 170.521 172.045 -1.524 18389 7539 1 9 . 1 1 48 48 GLY CA C 48 42.076 42.076 42.934 -0.858 18389 7540 1 9 . 1 1 48 48 GLY H H 48 7.723 7.723 8.195 -0.472 18389 7541 1 9 . 1 1 49 49 THR N N 49 106.823 106.823 111.247 -4.424 18389 7542 1 9 . 1 1 49 49 THR HA H 49 4.913 4.913 4.345 0.568 18389 7543 1 9 . 1 1 49 49 THR C C 49 172.529 172.529 174.962 -2.433 18389 7544 1 9 . 1 1 49 49 THR CA C 49 57.385 57.385 59.868 -2.483 18389 7545 1 9 . 1 1 49 49 THR CB C 49 69.609 69.609 70.901 -1.292 18389 7546 1 9 . 1 1 49 49 THR H H 49 8.019 8.019 5.884 2.135 18389 7547 1 9 . 1 1 51 51 ASP N N 51 118.095 118.095 120.160 -2.065 18389 7548 1 9 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.816 0.188 18389 7549 1 9 . 1 1 51 51 ASP C C 51 172.913 172.913 176.238 -3.325 18389 7550 1 9 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.387 -2.142 18389 7551 1 9 . 1 1 51 51 ASP CB C 51 38.770 38.770 42.024 -3.254 18389 7552 1 9 . 1 1 51 51 ASP H H 51 8.613 8.613 8.381 0.232 18389 7553 1 9 . 1 1 52 52 GLY N N 52 107.075 107.075 107.672 -0.597 18389 7554 1 9 . 1 1 52 52 GLY C C 52 169.748 169.748 173.199 -3.451 18389 7555 1 9 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.626 -1.720 18389 7556 1 9 . 1 1 52 52 GLY H H 52 7.651 7.651 8.187 -0.536 18389 7557 1 9 . 1 1 53 53 TYR N N 53 112.556 112.556 114.635 -2.079 18389 7558 1 9 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.392 -0.771 18389 7559 1 9 . 1 1 53 53 TYR C C 53 169.219 169.219 173.259 -4.040 18389 7560 1 9 . 1 1 53 53 TYR CA C 53 52.106 52.106 55.868 -3.763 18389 7561 1 9 . 1 1 53 53 TYR CB C 53 39.030 39.030 39.328 -0.298 18389 7562 1 9 . 1 1 53 53 TYR H H 53 6.918 6.918 7.879 -0.961 18389 7563 1 9 . 1 1 54 54 TRP N N 54 112.748 112.748 117.817 -5.069 18389 7564 1 9 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.504 -0.125 18389 7565 1 9 . 1 1 54 54 TRP C C 54 171.085 171.085 176.115 -5.030 18389 7566 1 9 . 1 1 54 54 TRP CA C 54 52.260 52.260 54.980 -2.720 18389 7567 1 9 . 1 1 54 54 TRP CB C 54 29.975 29.975 31.204 -1.229 18389 7568 1 9 . 1 1 54 54 TRP H H 54 6.406 6.406 7.482 -1.076 18389 7569 1 9 . 1 1 55 55 GLY N N 55 108.552 108.552 105.773 2.779 18389 7570 1 9 . 1 1 55 55 GLY C C 55 168.023 168.023 172.284 -4.261 18389 7571 1 9 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.669 -2.221 18389 7572 1 9 . 1 1 55 55 GLY H H 55 8.689 8.689 8.791 -0.102 18389 7573 1 9 . 1 1 56 56 THR N N 56 113.376 113.376 114.401 -1.025 18389 7574 1 9 . 1 1 56 56 THR HA H 56 5.868 5.868 4.698 1.170 18389 7575 1 9 . 1 1 56 56 THR C C 56 170.376 170.376 172.783 -2.407 18389 7576 1 9 . 1 1 56 56 THR CA C 56 57.238 57.238 61.983 -4.745 18389 7577 1 9 . 1 1 56 56 THR CB C 56 69.053 69.053 72.544 -3.491 18389 7578 1 9 . 1 1 56 56 THR H H 56 9.518 9.518 8.278 1.240 18389 7579 1 9 . 1 1 57 57 VAL N N 57 123.361 123.361 122.465 0.896 18389 7580 1 9 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.030 1.423 18389 7581 1 9 . 1 1 57 57 VAL C C 57 169.082 169.082 173.872 -4.790 18389 7582 1 9 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.547 -5.498 18389 7583 1 9 . 1 1 57 57 VAL CB C 57 33.347 33.347 34.818 -1.470 18389 7584 1 9 . 1 1 57 57 VAL H H 57 8.956 8.956 8.531 0.425 18389 7585 1 9 . 1 1 58 58 TYR N N 58 131.224 131.224 127.917 3.307 18389 7586 1 9 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.308 -0.732 18389 7587 1 9 . 1 1 58 58 TYR C C 58 172.050 172.050 173.463 -1.413 18389 7588 1 9 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.615 -5.033 18389 7589 1 9 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.445 -6.484 18389 7590 1 9 . 1 1 58 58 TYR H H 58 8.641 8.641 7.988 0.653 18389 7591 1 9 . 1 1 59 59 SER N N 59 123.126 123.126 124.121 -0.995 18389 7592 1 9 . 1 1 59 59 SER HA H 59 4.304 4.304 4.996 -0.692 18389 7593 1 9 . 1 1 59 59 SER C C 59 170.891 170.891 174.300 -3.409 18389 7594 1 9 . 1 1 59 59 SER CA C 59 55.452 55.452 56.773 -1.321 18389 7595 1 9 . 1 1 59 59 SER CB C 59 60.048 60.048 64.040 -3.992 18389 7596 1 9 . 1 1 59 59 SER H H 59 8.217 8.217 8.804 -0.587 18389 7597 1 9 . 1 1 60 60 LEU N N 60 126.809 126.809 130.125 -3.316 18389 7598 1 9 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.657 -0.404 18389 7599 1 9 . 1 1 60 60 LEU C C 60 173.994 173.994 176.016 -2.022 18389 7600 1 9 . 1 1 60 60 LEU CA C 60 50.050 50.050 54.961 -4.911 18389 7601 1 9 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.298 -2.942 18389 7602 1 9 . 1 1 60 60 LEU H H 60 7.838 7.838 8.204 -0.366 18389 7603 1 9 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.382 0.191 18389 7604 1 9 . 1 1 61 61 PRO C C 61 173.514 173.514 176.363 -2.849 18389 7605 1 9 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.256 -3.004 18389 7606 1 9 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.236 -2.921 18389 7607 1 9 . 1 1 62 62 ASP N N 62 115.943 115.943 117.663 -1.720 18389 7608 1 9 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.877 -0.038 18389 7609 1 9 . 1 1 62 62 ASP C C 62 172.949 172.949 176.084 -3.135 18389 7610 1 9 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.707 -3.001 18389 7611 1 9 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.420 -2.389 18389 7612 1 9 . 1 1 62 62 ASP H H 62 7.018 7.018 8.150 -1.132 18389 7613 1 9 . 1 1 63 63 GLY N N 63 112.680 112.680 110.953 1.727 18389 7614 1 9 . 1 1 63 63 GLY C C 63 170.273 170.273 172.649 -2.376 18389 7615 1 9 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.757 -1.756 18389 7616 1 9 . 1 1 63 63 GLY H H 63 8.417 8.417 8.713 -0.296 18389 7617 1 9 . 1 1 64 64 ASP N N 64 115.221 115.221 119.842 -4.621 18389 7618 1 9 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.961 0.332 18389 7619 1 9 . 1 1 64 64 ASP C C 64 174.354 174.354 175.229 -0.875 18389 7620 1 9 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.366 -2.099 18389 7621 1 9 . 1 1 64 64 ASP CB C 64 37.340 37.340 42.038 -4.698 18389 7622 1 9 . 1 1 64 64 ASP H H 64 7.766 7.766 7.551 0.215 18389 7623 1 9 . 1 1 65 65 TRP N N 65 130.747 130.747 125.089 5.658 18389 7624 1 9 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.059 0.372 18389 7625 1 9 . 1 1 65 65 TRP C C 65 173.930 173.930 177.163 -3.233 18389 7626 1 9 . 1 1 65 65 TRP CA C 65 52.044 52.044 55.185 -3.142 18389 7627 1 9 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.830 -3.223 18389 7628 1 9 . 1 1 65 65 TRP H H 65 9.687 9.687 8.686 1.001 18389 7629 1 9 . 1 1 66 66 SER N N 66 114.151 114.151 118.333 -4.182 18389 7630 1 9 . 1 1 66 66 SER HA H 66 4.041 4.041 4.035 0.006 18389 7631 1 9 . 1 1 66 66 SER CA C 66 59.812 59.812 61.572 -1.760 18389 7632 1 9 . 1 1 66 66 SER CB C 66 60.892 60.892 62.557 -1.665 18389 7633 1 9 . 1 1 66 66 SER H H 66 8.568 8.568 7.919 0.649 18389 7634 1 9 . 1 1 70 70 LYS N N 70 117.090 117.090 115.053 2.037 18389 7635 1 9 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.651 -0.253 18389 7636 1 9 . 1 1 70 70 LYS C C 70 170.030 170.030 174.495 -4.465 18389 7637 1 9 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.912 -4.053 18389 7638 1 9 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.433 -1.477 18389 7639 1 9 . 1 1 70 70 LYS H H 70 8.308 8.308 7.535 0.773 18389 7640 1 9 . 1 1 71 71 ILE N N 71 118.764 118.764 120.207 -1.443 18389 7641 1 9 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.428 0.786 18389 7642 1 9 . 1 1 71 71 ILE C C 71 169.396 169.396 174.068 -4.672 18389 7643 1 9 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.517 -4.184 18389 7644 1 9 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.937 -1.291 18389 7645 1 9 . 1 1 71 71 ILE H H 71 7.816 7.816 8.172 -0.356 18389 7646 1 9 . 1 1 72 72 SER N N 72 120.952 120.952 118.114 2.838 18389 7647 1 9 . 1 1 72 72 SER HA H 72 5.852 5.852 4.843 1.009 18389 7648 1 9 . 1 1 72 72 SER C C 72 170.208 170.208 172.475 -2.267 18389 7649 1 9 . 1 1 72 72 SER CA C 72 52.457 52.457 56.113 -3.656 18389 7650 1 9 . 1 1 72 72 SER CB C 72 64.125 64.125 64.979 -0.854 18389 7651 1 9 . 1 1 72 72 SER H H 72 9.237 9.237 8.518 0.719 18389 7652 1 9 . 1 1 73 73 PHE N N 73 117.161 117.161 119.899 -2.738 18389 7653 1 9 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.698 -0.327 18389 7654 1 9 . 1 1 73 73 PHE C C 73 170.381 170.381 173.642 -3.261 18389 7655 1 9 . 1 1 73 73 PHE CA C 73 53.797 53.797 54.736 -0.939 18389 7656 1 9 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.245 -2.673 18389 7657 1 9 . 1 1 73 73 PHE H H 73 8.093 8.093 7.986 0.107 18389 7658 1 9 . 1 1 74 74 ASP N N 74 120.210 120.210 121.427 -1.217 18389 7659 1 9 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.370 0.784 18389 7660 1 9 . 1 1 74 74 ASP C C 74 173.653 173.653 174.698 -1.045 18389 7661 1 9 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.871 -2.975 18389 7662 1 9 . 1 1 74 74 ASP CB C 74 41.487 41.487 42.959 -1.472 18389 7663 1 9 . 1 1 74 74 ASP H H 74 8.993 8.993 8.822 0.171 18389 7664 1 9 . 1 1 75 75 ILE N N 75 121.051 121.051 126.653 -5.602 18389 7665 1 9 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.915 1.338 18389 7666 1 9 . 1 1 75 75 ILE C C 75 171.229 171.229 173.022 -1.793 18389 7667 1 9 . 1 1 75 75 ILE CA C 75 57.521 57.521 60.393 -2.872 18389 7668 1 9 . 1 1 75 75 ILE CB C 75 41.521 41.521 40.415 1.106 18389 7669 1 9 . 1 1 75 75 ILE H H 75 9.681 9.681 7.931 1.750 18389 7670 1 9 . 1 1 76 76 LYS N N 76 124.693 124.693 125.213 -0.520 18389 7671 1 9 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.790 0.041 18389 7672 1 9 . 1 1 76 76 LYS C C 76 172.283 172.283 174.083 -1.800 18389 7673 1 9 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.843 -1.441 18389 7674 1 9 . 1 1 76 76 LYS CB C 76 32.722 32.722 33.628 -0.906 18389 7675 1 9 . 1 1 76 76 LYS H H 76 8.454 8.454 8.450 0.004 18389 7676 1 9 . 1 1 77 77 SER N N 77 118.916 118.916 115.010 3.906 18389 7677 1 9 . 1 1 77 77 SER HA H 77 4.816 4.816 4.845 -0.029 18389 7678 1 9 . 1 1 77 77 SER C C 77 172.741 172.741 174.018 -1.277 18389 7679 1 9 . 1 1 77 77 SER CA C 77 55.341 55.341 58.758 -3.417 18389 7680 1 9 . 1 1 77 77 SER CB C 77 61.792 61.792 63.995 -2.203 18389 7681 1 9 . 1 1 77 77 SER H H 77 9.236 9.236 8.590 0.646 18389 7682 1 9 . 1 1 78 78 VAL N N 78 120.723 120.723 118.899 1.824 18389 7683 1 9 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.413 -0.079 18389 7684 1 9 . 1 1 78 78 VAL C C 78 172.941 172.941 174.578 -1.637 18389 7685 1 9 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.127 -1.332 18389 7686 1 9 . 1 1 78 78 VAL CB C 78 30.268 30.268 34.078 -3.810 18389 7687 1 9 . 1 1 78 78 VAL H H 78 8.132 8.132 8.526 -0.394 18389 7688 1 9 . 1 1 79 79 ASP N N 79 119.240 119.240 119.149 0.091 18389 7689 1 9 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.738 0.003 18389 7690 1 9 . 1 1 79 79 ASP C C 79 174.199 174.199 175.610 -1.411 18389 7691 1 9 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.575 -3.463 18389 7692 1 9 . 1 1 79 79 ASP CB C 79 39.073 39.073 43.041 -3.968 18389 7693 1 9 . 1 1 79 79 ASP H H 79 8.190 8.190 7.530 0.660 18389 7694 1 9 . 1 1 80 80 GLY N N 80 108.323 108.323 113.630 -5.307 18389 7695 1 9 . 1 1 80 80 GLY C C 80 171.858 171.858 173.980 -2.122 18389 7696 1 9 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.837 -2.734 18389 7697 1 9 . 1 1 80 80 GLY H H 80 8.275 8.275 8.530 -0.255 18389 7698 1 9 . 1 1 81 81 SER N N 81 116.291 116.291 115.398 0.893 18389 7699 1 9 . 1 1 81 81 SER HA H 81 4.588 4.588 4.887 -0.299 18389 7700 1 9 . 1 1 81 81 SER C C 81 171.588 171.588 172.976 -1.388 18389 7701 1 9 . 1 1 81 81 SER CA C 81 55.552 55.552 57.222 -1.670 18389 7702 1 9 . 1 1 81 81 SER CB C 81 61.910 61.910 65.329 -3.419 18389 7703 1 9 . 1 1 81 81 SER H H 81 8.201 8.201 7.331 0.870 18389 7704 1 9 . 1 1 82 82 ALA N N 82 128.019 128.019 125.490 2.529 18389 7705 1 9 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.833 0.129 18389 7706 1 9 . 1 1 82 82 ALA C C 82 173.332 173.332 176.751 -3.419 18389 7707 1 9 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.692 -2.613 18389 7708 1 9 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.742 -3.172 18389 7709 1 9 . 1 1 82 82 ALA H H 82 8.613 8.613 8.451 0.162 18389 7710 1 9 . 1 1 83 83 ASN N N 83 119.651 119.651 117.651 2.000 18389 7711 1 9 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.644 0.417 18389 7712 1 9 . 1 1 83 83 ASN C C 83 170.848 170.848 174.716 -3.868 18389 7713 1 9 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.607 -1.847 18389 7714 1 9 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.285 -0.496 18389 7715 1 9 . 1 1 83 83 ASN H H 83 8.153 8.153 7.988 0.165 18389 7716 1 9 . 1 1 84 84 GLU N N 84 127.150 127.150 120.285 6.865 18389 7717 1 9 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.628 0.084 18389 7718 1 9 . 1 1 84 84 GLU C C 84 171.647 171.647 176.236 -4.589 18389 7719 1 9 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.539 -1.767 18389 7720 1 9 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.703 -2.002 18389 7721 1 9 . 1 1 84 84 GLU H H 84 8.122 8.122 8.599 -0.477 18389 7722 1 9 . 1 1 85 85 ILE N N 85 117.590 117.590 118.308 -0.718 18389 7723 1 9 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.642 -0.009 18389 7724 1 9 . 1 1 85 85 ILE C C 85 171.902 171.902 174.087 -2.185 18389 7725 1 9 . 1 1 85 85 ILE CA C 85 58.031 58.031 58.680 -0.649 18389 7726 1 9 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.055 -1.803 18389 7727 1 9 . 1 1 85 85 ILE H H 85 8.910 8.910 8.891 0.019 18389 7728 1 9 . 1 1 86 86 ARG N N 86 116.697 116.697 120.567 -3.870 18389 7729 1 9 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.892 0.504 18389 7730 1 9 . 1 1 86 86 ARG C C 86 171.787 171.787 175.645 -3.858 18389 7731 1 9 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.568 -1.453 18389 7732 1 9 . 1 1 86 86 ARG CB C 86 32.062 32.062 31.710 0.352 18389 7733 1 9 . 1 1 86 86 ARG H H 86 9.149 9.149 8.348 0.801 18389 7734 1 9 . 1 1 87 87 PHE N N 87 123.607 123.607 124.266 -0.659 18389 7735 1 9 . 1 1 87 87 PHE HA H 87 5.488 5.488 4.826 0.662 18389 7736 1 9 . 1 1 87 87 PHE CA C 87 53.817 53.817 59.213 -5.396 18389 7737 1 9 . 1 1 87 87 PHE CB C 87 40.112 40.112 39.813 0.299 18389 7738 1 9 . 1 1 87 87 PHE H H 87 9.235 9.235 8.702 0.533 18389 7739 1 9 . 1 1 88 88 MET N N 88 129.893 129.893 121.894 7.999 18389 7740 1 9 . 1 1 88 88 MET HA H 88 5.836 5.836 5.454 0.382 18389 7741 1 9 . 1 1 88 88 MET C C 88 170.768 170.768 174.291 -3.523 18389 7742 1 9 . 1 1 88 88 MET CA C 88 51.118 51.118 53.559 -2.441 18389 7743 1 9 . 1 1 88 88 MET CB C 88 37.224 37.224 36.770 0.454 18389 7744 1 9 . 1 1 88 88 MET H H 88 8.868 8.868 8.830 0.038 18389 7745 1 9 . 1 1 89 89 ILE N N 89 124.630 124.630 124.407 0.223 18389 7746 1 9 . 1 1 89 89 ILE HA H 89 4.538 4.538 4.970 -0.432 18389 7747 1 9 . 1 1 89 89 ILE C C 89 171.047 171.047 173.716 -2.669 18389 7748 1 9 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.742 -1.771 18389 7749 1 9 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.333 -3.413 18389 7750 1 9 . 1 1 89 89 ILE H H 89 9.258 9.258 9.205 0.053 18389 7751 1 9 . 1 1 90 90 ALA N N 90 128.743 128.743 128.897 -0.154 18389 7752 1 9 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.139 0.527 18389 7753 1 9 . 1 1 90 90 ALA C C 90 176.041 176.041 175.768 0.273 18389 7754 1 9 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.908 -3.087 18389 7755 1 9 . 1 1 90 90 ALA CB C 90 18.331 18.331 20.853 -2.522 18389 7756 1 9 . 1 1 90 90 ALA H H 90 8.749 8.749 9.083 -0.334 18389 7757 1 9 . 1 1 91 91 GLU N N 91 121.616 121.616 126.263 -4.647 18389 7758 1 9 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.569 0.149 18389 7759 1 9 . 1 1 91 91 GLU C C 91 174.217 174.217 176.964 -2.747 18389 7760 1 9 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.215 -2.072 18389 7761 1 9 . 1 1 91 91 GLU CB C 91 29.847 29.847 32.139 -2.292 18389 7762 1 9 . 1 1 91 91 GLU H H 91 8.749 8.749 8.908 -0.159 18389 7763 1 9 . 1 1 92 92 LYS N N 92 117.975 117.975 125.228 -7.253 18389 7764 1 9 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.290 0.079 18389 7765 1 9 . 1 1 92 92 LYS C C 92 174.743 174.743 175.914 -1.171 18389 7766 1 9 . 1 1 92 92 LYS CA C 92 54.360 54.360 57.242 -2.882 18389 7767 1 9 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.293 -2.637 18389 7768 1 9 . 1 1 92 92 LYS H H 92 8.014 8.014 8.464 -0.450 18389 7769 1 9 . 1 1 93 93 SER N N 93 115.092 115.092 115.765 -0.673 18389 7770 1 9 . 1 1 93 93 SER HA H 93 4.215 4.215 4.670 -0.455 18389 7771 1 9 . 1 1 93 93 SER C C 93 174.964 174.964 177.180 -2.216 18389 7772 1 9 . 1 1 93 93 SER CA C 93 53.874 53.874 57.559 -3.685 18389 7773 1 9 . 1 1 93 93 SER CB C 93 61.736 61.736 64.333 -2.597 18389 7774 1 9 . 1 1 93 93 SER H H 93 8.083 8.083 8.410 -0.327 18389 7775 1 9 . 1 1 94 94 ILE N N 94 121.880 121.880 122.987 -1.107 18389 7776 1 9 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.098 0.288 18389 7777 1 9 . 1 1 94 94 ILE C C 94 174.020 174.020 176.174 -2.154 18389 7778 1 9 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.453 -2.108 18389 7779 1 9 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.663 -1.662 18389 7780 1 9 . 1 1 94 94 ILE H H 94 9.150 9.150 8.913 0.237 18389 7781 1 9 . 1 1 95 95 ASN N N 95 117.349 117.349 119.035 -1.686 18389 7782 1 9 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.837 0.218 18389 7783 1 9 . 1 1 95 95 ASN C C 95 173.659 173.659 175.772 -2.113 18389 7784 1 9 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.742 -3.356 18389 7785 1 9 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.850 -2.184 18389 7786 1 9 . 1 1 95 95 ASN H H 95 8.163 8.163 8.250 -0.087 18389 7787 1 9 . 1 1 96 96 GLY N N 96 106.957 106.957 108.614 -1.657 18389 7788 1 9 . 1 1 96 96 GLY C C 96 170.704 170.704 173.813 -3.109 18389 7789 1 9 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.792 -2.473 18389 7790 1 9 . 1 1 96 96 GLY H H 96 7.530 7.530 7.835 -0.305 18389 7791 1 9 . 1 1 97 97 VAL N N 97 119.393 119.393 120.701 -1.308 18389 7792 1 9 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.384 -0.030 18389 7793 1 9 . 1 1 97 97 VAL C C 97 173.622 173.622 175.661 -2.039 18389 7794 1 9 . 1 1 97 97 VAL CA C 97 59.142 59.142 60.872 -1.730 18389 7795 1 9 . 1 1 97 97 VAL CB C 97 30.771 30.771 34.445 -3.674 18389 7796 1 9 . 1 1 97 97 VAL H H 97 7.650 7.650 7.184 0.466 18389 7797 1 9 . 1 1 98 98 GLY N N 98 115.075 115.075 114.148 0.927 18389 7798 1 9 . 1 1 98 98 GLY C C 98 170.065 170.065 174.707 -4.642 18389 7799 1 9 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.633 -2.894 18389 7800 1 9 . 1 1 98 98 GLY H H 98 8.712 8.712 8.538 0.174 18389 7801 1 9 . 1 1 99 99 ASP N N 99 119.064 119.064 123.888 -4.824 18389 7802 1 9 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.669 0.006 18389 7803 1 9 . 1 1 99 99 ASP C C 99 172.502 172.502 177.322 -4.820 18389 7804 1 9 . 1 1 99 99 ASP CA C 99 50.581 50.581 54.552 -3.971 18389 7805 1 9 . 1 1 99 99 ASP CB C 99 39.195 39.195 41.071 -1.876 18389 7806 1 9 . 1 1 99 99 ASP H H 99 8.746 8.746 8.560 0.186 18389 7807 1 9 . 1 1 100 100 GLY N N 100 109.333 109.333 109.171 0.162 18389 7808 1 9 . 1 1 100 100 GLY C C 100 167.638 167.638 173.751 -6.113 18389 7809 1 9 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.897 -5.787 18389 7810 1 9 . 1 1 100 100 GLY H H 100 8.285 8.285 7.636 0.649 18389 7811 1 9 . 1 1 101 101 GLU N N 101 120.835 120.835 124.657 -3.822 18389 7812 1 9 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.736 -0.009 18389 7813 1 9 . 1 1 101 101 GLU C C 101 173.652 173.652 174.958 -1.306 18389 7814 1 9 . 1 1 101 101 GLU CA C 101 55.449 55.449 54.789 0.660 18389 7815 1 9 . 1 1 101 101 GLU CB C 101 31.014 31.014 32.180 -1.166 18389 7816 1 9 . 1 1 101 101 GLU H H 101 8.339 8.339 8.100 0.239 18389 7817 1 9 . 1 1 102 102 HIS N N 102 126.597 126.597 126.959 -0.362 18389 7818 1 9 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.146 0.260 18389 7819 1 9 . 1 1 102 102 HIS C C 102 174.479 174.479 173.231 1.248 18389 7820 1 9 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.747 -1.835 18389 7821 1 9 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.913 1.843 18389 7822 1 9 . 1 1 102 102 HIS H H 102 10.029 10.029 8.727 1.302 18389 7823 1 9 . 1 1 103 103 TRP N N 103 125.616 125.616 126.516 -0.900 18389 7824 1 9 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.386 -0.355 18389 7825 1 9 . 1 1 103 103 TRP C C 103 173.236 173.236 174.852 -1.616 18389 7826 1 9 . 1 1 103 103 TRP CA C 103 54.833 54.833 55.683 -0.850 18389 7827 1 9 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.345 -3.155 18389 7828 1 9 . 1 1 103 103 TRP H H 103 9.242 9.242 8.963 0.279 18389 7829 1 9 . 1 1 104 104 VAL N N 104 114.086 114.086 116.916 -2.830 18389 7830 1 9 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.352 0.781 18389 7831 1 9 . 1 1 104 104 VAL C C 104 173.194 173.194 174.644 -1.450 18389 7832 1 9 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.295 -1.966 18389 7833 1 9 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.336 0.107 18389 7834 1 9 . 1 1 104 104 VAL H H 104 10.273 10.273 9.384 0.889 18389 7835 1 9 . 1 1 105 105 TYR N N 105 123.278 123.278 122.261 1.017 18389 7836 1 9 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.855 -0.195 18389 7837 1 9 . 1 1 105 105 TYR C C 105 172.030 172.030 176.964 -4.934 18389 7838 1 9 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.059 0.663 18389 7839 1 9 . 1 1 105 105 TYR CB C 105 40.973 40.973 39.285 1.688 18389 7840 1 9 . 1 1 105 105 TYR H H 105 9.219 9.219 7.773 1.446 18389 7841 1 9 . 1 1 106 106 SER N N 106 123.619 123.619 114.715 8.904 18389 7842 1 9 . 1 1 106 106 SER HA H 106 5.226 5.226 5.187 0.039 18389 7843 1 9 . 1 1 106 106 SER C C 106 170.291 170.291 173.315 -3.024 18389 7844 1 9 . 1 1 106 106 SER CA C 106 56.800 56.800 57.685 -0.885 18389 7845 1 9 . 1 1 106 106 SER CB C 106 61.265 61.265 64.620 -3.354 18389 7846 1 9 . 1 1 106 106 SER H H 106 7.768 7.768 8.539 -0.771 18389 7847 1 9 . 1 1 107 107 ILE N N 107 120.192 120.192 124.860 -4.668 18389 7848 1 9 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.503 0.256 18389 7849 1 9 . 1 1 107 107 ILE C C 107 171.471 171.471 173.091 -1.620 18389 7850 1 9 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.593 -3.582 18389 7851 1 9 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.922 -2.163 18389 7852 1 9 . 1 1 107 107 ILE H H 107 8.942 8.942 9.251 -0.309 18389 7853 1 9 . 1 1 108 108 THR N N 108 118.723 118.723 120.046 -1.323 18389 7854 1 9 . 1 1 108 108 THR HA H 108 5.017 5.017 4.998 0.019 18389 7855 1 9 . 1 1 108 108 THR C C 108 170.359 170.359 172.707 -2.348 18389 7856 1 9 . 1 1 108 108 THR CA C 108 56.686 56.686 58.314 -1.628 18389 7857 1 9 . 1 1 108 108 THR CB C 108 67.488 67.488 69.879 -2.391 18389 7858 1 9 . 1 1 108 108 THR H H 108 8.718 8.718 8.269 0.449 18389 7859 1 9 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.519 -0.109 18389 7860 1 9 . 1 1 109 109 PRO C C 109 171.443 171.443 176.093 -4.650 18389 7861 1 9 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.455 -2.631 18389 7862 1 9 . 1 1 109 109 PRO CB C 109 29.978 29.978 32.976 -2.998 18389 7863 1 9 . 1 1 110 110 ASP N N 110 122.785 122.785 121.458 1.327 18389 7864 1 9 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.733 0.415 18389 7865 1 9 . 1 1 110 110 ASP C C 110 174.113 174.113 177.021 -2.908 18389 7866 1 9 . 1 1 110 110 ASP CA C 110 50.056 50.056 54.149 -4.093 18389 7867 1 9 . 1 1 110 110 ASP CB C 110 40.689 40.689 42.886 -2.197 18389 7868 1 9 . 1 1 110 110 ASP H H 110 9.061 9.061 8.583 0.478 18389 7869 1 9 . 1 1 111 111 SER N N 111 112.595 112.595 113.165 -0.570 18389 7870 1 9 . 1 1 111 111 SER HA H 111 4.432 4.432 4.334 0.098 18389 7871 1 9 . 1 1 111 111 SER CA C 111 58.333 58.333 58.811 -0.478 18389 7872 1 9 . 1 1 111 111 SER CB C 111 61.046 61.046 63.436 -2.390 18389 7873 1 9 . 1 1 111 111 SER H H 111 8.435 8.435 8.492 -0.057 18389 7874 1 9 . 1 1 112 112 SER N N 112 116.615 116.615 114.722 1.893 18389 7875 1 9 . 1 1 112 112 SER HA H 112 4.862 4.862 4.663 0.199 18389 7876 1 9 . 1 1 112 112 SER C C 112 170.519 170.519 173.183 -2.664 18389 7877 1 9 . 1 1 112 112 SER CA C 112 54.017 54.017 56.819 -2.803 18389 7878 1 9 . 1 1 112 112 SER CB C 112 62.948 62.948 65.095 -2.147 18389 7879 1 9 . 1 1 112 112 SER H H 112 8.035 8.035 7.566 0.469 18389 7880 1 9 . 1 1 113 113 TRP N N 113 120.576 120.576 126.198 -5.622 18389 7881 1 9 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.424 0.130 18389 7882 1 9 . 1 1 113 113 TRP C C 113 174.599 174.599 175.222 -0.623 18389 7883 1 9 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.527 -0.645 18389 7884 1 9 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.573 -2.212 18389 7885 1 9 . 1 1 113 113 TRP H H 113 8.318 8.318 8.569 -0.251 18389 7886 1 9 . 1 1 114 114 LYS N N 114 123.372 123.372 126.956 -3.584 18389 7887 1 9 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.683 0.211 18389 7888 1 9 . 1 1 114 114 LYS C C 114 172.772 172.772 174.851 -2.079 18389 7889 1 9 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.327 -2.379 18389 7890 1 9 . 1 1 114 114 LYS CB C 114 34.250 34.250 36.539 -2.289 18389 7891 1 9 . 1 1 114 114 LYS H H 114 8.782 8.782 7.943 0.839 18389 7892 1 9 . 1 1 115 115 THR N N 115 120.929 120.929 117.951 2.978 18389 7893 1 9 . 1 1 115 115 THR HA H 115 5.226 5.226 4.864 0.362 18389 7894 1 9 . 1 1 115 115 THR C C 115 171.778 171.778 174.596 -2.818 18389 7895 1 9 . 1 1 115 115 THR CA C 115 59.671 59.671 62.829 -3.158 18389 7896 1 9 . 1 1 115 115 THR CB C 115 66.938 66.938 69.487 -2.549 18389 7897 1 9 . 1 1 115 115 THR H H 115 8.689 8.689 8.458 0.231 18389 7898 1 9 . 1 1 116 116 ILE N N 116 131.929 131.929 127.999 3.930 18389 7899 1 9 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.351 -0.167 18389 7900 1 9 . 1 1 116 116 ILE C C 116 171.012 171.012 175.002 -3.990 18389 7901 1 9 . 1 1 116 116 ILE CA C 116 56.357 56.357 58.940 -2.583 18389 7902 1 9 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.168 -2.837 18389 7903 1 9 . 1 1 116 116 ILE H H 116 9.470 9.470 9.247 0.223 18389 7904 1 9 . 1 1 117 117 GLU N N 117 124.514 124.514 126.932 -2.418 18389 7905 1 9 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.350 0.520 18389 7906 1 9 . 1 1 117 117 GLU C C 117 173.332 173.332 175.982 -2.650 18389 7907 1 9 . 1 1 117 117 GLU CA C 117 51.798 51.798 57.243 -5.445 18389 7908 1 9 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.966 -0.273 18389 7909 1 9 . 1 1 117 117 GLU H H 117 8.089 8.089 8.527 -0.438 18389 7910 1 9 . 1 1 118 118 ILE N N 118 125.005 125.005 124.978 0.027 18389 7911 1 9 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.402 0.021 18389 7912 1 9 . 1 1 118 118 ILE C C 118 171.765 171.765 173.247 -1.482 18389 7913 1 9 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.126 -2.486 18389 7914 1 9 . 1 1 118 118 ILE CB C 118 37.429 37.429 40.101 -2.672 18389 7915 1 9 . 1 1 118 118 ILE H H 118 9.322 9.322 8.395 0.927 18389 7916 1 9 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.597 0.240 18389 7917 1 9 . 1 1 119 119 PRO C C 119 176.780 176.780 178.083 -1.303 18389 7918 1 9 . 1 1 119 119 PRO CA C 119 59.404 59.404 62.057 -2.653 18389 7919 1 9 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.314 -3.249 18389 7920 1 9 . 1 1 120 120 PHE N N 120 124.627 124.627 116.876 7.751 18389 7921 1 9 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.759 0.235 18389 7922 1 9 . 1 1 120 120 PHE C C 120 175.402 175.402 177.123 -1.721 18389 7923 1 9 . 1 1 120 120 PHE CA C 120 59.272 59.272 59.542 -0.270 18389 7924 1 9 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.819 -2.574 18389 7925 1 9 . 1 1 120 120 PHE H H 120 8.160 8.160 8.200 -0.040 18389 7926 1 9 . 1 1 121 121 SER N N 121 110.551 110.551 113.620 -3.069 18389 7927 1 9 . 1 1 121 121 SER HA H 121 4.647 4.647 4.471 0.176 18389 7928 1 9 . 1 1 121 121 SER C C 121 173.187 173.187 175.278 -2.091 18389 7929 1 9 . 1 1 121 121 SER CA C 121 57.359 57.359 59.670 -2.311 18389 7930 1 9 . 1 1 121 121 SER CB C 121 60.639 60.639 62.352 -1.713 18389 7931 1 9 . 1 1 121 121 SER H H 121 8.367 8.367 8.126 0.241 18389 7932 1 9 . 1 1 122 122 SER N N 122 117.166 117.166 117.456 -0.290 18389 7933 1 9 . 1 1 122 122 SER HA H 122 4.946 4.946 4.457 0.489 18389 7934 1 9 . 1 1 122 122 SER C C 122 172.296 172.296 173.865 -1.569 18389 7935 1 9 . 1 1 122 122 SER CA C 122 57.525 57.525 59.775 -2.250 18389 7936 1 9 . 1 1 122 122 SER CB C 122 61.716 61.716 63.939 -2.223 18389 7937 1 9 . 1 1 122 122 SER H H 122 8.537 8.537 7.595 0.942 18389 7938 1 9 . 1 1 123 123 PHE N N 123 119.840 119.840 121.726 -1.886 18389 7939 1 9 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.991 -0.344 18389 7940 1 9 . 1 1 123 123 PHE C C 123 173.527 173.527 175.888 -2.361 18389 7941 1 9 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.428 -0.650 18389 7942 1 9 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.129 -1.581 18389 7943 1 9 . 1 1 123 123 PHE H H 123 7.807 7.807 7.567 0.240 18389 7944 1 9 . 1 1 124 124 ARG N N 124 120.098 120.098 121.644 -1.546 18389 7945 1 9 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.106 0.235 18389 7946 1 9 . 1 1 124 124 ARG C C 124 172.631 172.631 175.162 -2.531 18389 7947 1 9 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.709 -2.384 18389 7948 1 9 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.840 -3.119 18389 7949 1 9 . 1 1 124 124 ARG H H 124 9.297 9.297 9.313 -0.016 18389 7950 1 9 . 1 1 125 125 ARG N N 125 126.739 126.739 121.619 5.120 18389 7951 1 9 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.988 -1.026 18389 7952 1 9 . 1 1 125 125 ARG C C 125 174.319 174.319 175.872 -1.553 18389 7953 1 9 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.561 -0.525 18389 7954 1 9 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.361 -3.013 18389 7955 1 9 . 1 1 125 125 ARG H H 125 8.611 8.611 8.502 0.109 18389 7956 1 9 . 1 1 126 126 ARG N N 126 126.556 126.556 124.063 2.493 18389 7957 1 9 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.226 -0.262 18389 7958 1 9 . 1 1 126 126 ARG C C 126 174.021 174.021 175.249 -1.228 18389 7959 1 9 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.979 -0.441 18389 7960 1 9 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.060 -0.321 18389 7961 1 9 . 1 1 126 126 ARG H H 126 7.917 7.917 8.290 -0.373 18389 7962 1 9 . 1 1 127 127 LEU N N 127 124.550 124.550 126.560 -2.010 18389 7963 1 9 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.477 0.177 18389 7964 1 9 . 1 1 127 127 LEU C C 127 175.775 175.775 176.909 -1.134 18389 7965 1 9 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.340 -2.132 18389 7966 1 9 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.511 -1.133 18389 7967 1 9 . 1 1 127 127 LEU H H 127 8.817 8.817 8.549 0.268 18389 7968 1 9 . 1 1 128 128 ASP N N 128 116.209 116.209 119.798 -3.589 18389 7969 1 9 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.534 0.015 18389 7970 1 9 . 1 1 128 128 ASP C C 128 172.491 172.491 175.350 -2.859 18389 7971 1 9 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.885 -3.393 18389 7972 1 9 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.171 -4.589 18389 7973 1 9 . 1 1 128 128 ASP H H 128 9.072 9.072 8.179 0.893 18389 7974 1 9 . 1 1 129 129 TYR N N 129 119.329 119.329 117.746 1.583 18389 7975 1 9 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.576 -0.223 18389 7976 1 9 . 1 1 129 129 TYR C C 129 169.992 169.992 172.869 -2.877 18389 7977 1 9 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.404 -1.059 18389 7978 1 9 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.444 -1.997 18389 7979 1 9 . 1 1 129 129 TYR H H 129 7.002 7.002 7.441 -0.439 18389 7980 1 9 . 1 1 130 130 GLN N N 130 121.469 121.469 123.765 -2.296 18389 7981 1 9 . 1 1 130 130 GLN HA H 130 3.909 3.909 3.373 0.536 18389 7982 1 9 . 1 1 130 130 GLN C C 130 170.223 170.223 172.933 -2.710 18389 7983 1 9 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.320 -2.531 18389 7984 1 9 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.863 -2.238 18389 7985 1 9 . 1 1 130 130 GLN H H 130 6.288 6.288 7.809 -1.521 18389 7986 1 9 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.360 0.050 18389 7987 1 9 . 1 1 132 132 PRO C C 132 175.720 175.720 177.229 -1.509 18389 7988 1 9 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.848 -1.775 18389 7989 1 9 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.020 -2.905 18389 7990 1 9 . 1 1 133 133 GLY N N 133 104.558 104.558 108.107 -3.549 18389 7991 1 9 . 1 1 133 133 GLY C C 133 171.229 171.229 173.888 -2.659 18389 7992 1 9 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.712 -1.197 18389 7993 1 9 . 1 1 133 133 GLY H H 133 8.298 8.298 8.435 -0.137 18389 7994 1 9 . 1 1 134 134 GLN N N 134 116.684 116.684 119.258 -2.574 18389 7995 1 9 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.323 0.044 18389 7996 1 9 . 1 1 134 134 GLN C C 134 172.815 172.815 174.959 -2.144 18389 7997 1 9 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.134 -1.330 18389 7998 1 9 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.165 -4.299 18389 7999 1 9 . 1 1 134 134 GLN H H 134 7.273 7.273 7.483 -0.210 18389 8000 1 9 . 1 1 135 135 ASP N N 135 118.688 118.688 120.175 -1.487 18389 8001 1 9 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.552 -0.190 18389 8002 1 9 . 1 1 135 135 ASP C C 135 174.301 174.301 176.219 -1.918 18389 8003 1 9 . 1 1 135 135 ASP CA C 135 51.810 51.810 53.794 -1.984 18389 8004 1 9 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.048 -4.144 18389 8005 1 9 . 1 1 135 135 ASP H H 135 8.844 8.844 8.603 0.241 18389 8006 1 9 . 1 1 136 136 MET N N 136 114.721 114.721 125.073 -10.352 18389 8007 1 9 . 1 1 136 136 MET HA H 136 4.035 4.035 4.474 -0.439 18389 8008 1 9 . 1 1 136 136 MET C C 136 174.252 174.252 176.044 -1.792 18389 8009 1 9 . 1 1 136 136 MET CA C 136 54.461 54.461 53.923 0.538 18389 8010 1 9 . 1 1 136 136 MET CB C 136 29.439 29.439 31.596 -2.157 18389 8011 1 9 . 1 1 136 136 MET H H 136 7.585 7.585 8.765 -1.180 18389 8012 1 9 . 1 1 137 137 SER N N 137 118.130 118.130 114.977 3.153 18389 8013 1 9 . 1 1 137 137 SER HA H 137 4.392 4.392 4.514 -0.122 18389 8014 1 9 . 1 1 137 137 SER C C 137 174.811 174.811 175.923 -1.112 18389 8015 1 9 . 1 1 137 137 SER CA C 137 57.841 57.841 59.150 -1.309 18389 8016 1 9 . 1 1 137 137 SER CB C 137 62.369 62.369 64.212 -1.843 18389 8017 1 9 . 1 1 137 137 SER H H 137 9.140 9.140 8.054 1.086 18389 8018 1 9 . 1 1 138 138 GLY N N 138 114.534 114.534 112.395 2.139 18389 8019 1 9 . 1 1 138 138 GLY C C 138 170.903 170.903 173.928 -3.025 18389 8020 1 9 . 1 1 138 138 GLY CA C 138 44.197 44.197 46.209 -2.012 18389 8021 1 9 . 1 1 138 138 GLY H H 138 10.549 10.549 8.760 1.789 18389 8022 1 9 . 1 1 139 139 THR N N 139 112.564 112.564 115.101 -2.537 18389 8023 1 9 . 1 1 139 139 THR HA H 139 4.538 4.538 4.716 -0.178 18389 8024 1 9 . 1 1 139 139 THR C C 139 168.086 168.086 173.199 -5.113 18389 8025 1 9 . 1 1 139 139 THR CA C 139 57.132 57.132 60.508 -3.376 18389 8026 1 9 . 1 1 139 139 THR CB C 139 68.854 68.854 71.810 -2.956 18389 8027 1 9 . 1 1 139 139 THR H H 139 8.504 8.504 7.673 0.831 18389 8028 1 9 . 1 1 140 140 LEU N N 140 129.971 129.971 121.784 8.187 18389 8029 1 9 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.394 -0.623 18389 8030 1 9 . 1 1 140 140 LEU C C 140 172.175 172.175 175.622 -3.447 18389 8031 1 9 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.533 -2.198 18389 8032 1 9 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.660 -5.788 18389 8033 1 9 . 1 1 140 140 LEU H H 140 7.900 7.900 7.682 0.218 18389 8034 1 9 . 1 1 141 141 ASP N N 141 132.200 132.200 126.378 5.822 18389 8035 1 9 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.648 0.056 18389 8036 1 9 . 1 1 141 141 ASP C C 141 172.137 172.137 175.805 -3.668 18389 8037 1 9 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.337 -1.645 18389 8038 1 9 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.066 -2.505 18389 8039 1 9 . 1 1 141 141 ASP H H 141 9.101 9.101 8.658 0.443 18389 8040 1 9 . 1 1 142 142 LEU N N 142 122.667 122.667 124.700 -2.033 18389 8041 1 9 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.900 -0.160 18389 8042 1 9 . 1 1 142 142 LEU CA C 142 53.747 53.747 53.446 0.301 18389 8043 1 9 . 1 1 142 142 LEU CB C 142 39.898 39.898 39.118 0.780 18389 8044 1 9 . 1 1 142 142 LEU H H 142 7.799 7.799 8.431 -0.632 18389 8045 1 9 . 1 1 143 143 ASP N N 143 112.789 112.789 119.041 -6.252 18389 8046 1 9 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.739 0.177 18389 8047 1 9 . 1 1 143 143 ASP C C 143 173.547 173.547 175.661 -2.114 18389 8048 1 9 . 1 1 143 143 ASP CA C 143 51.101 51.101 54.594 -3.493 18389 8049 1 9 . 1 1 143 143 ASP CB C 143 37.298 37.298 43.189 -5.891 18389 8050 1 9 . 1 1 143 143 ASP H H 143 8.473 8.473 7.720 0.753 18389 8051 1 9 . 1 1 144 144 ASN N N 144 120.743 120.743 116.103 4.640 18389 8052 1 9 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.754 0.325 18389 8053 1 9 . 1 1 144 144 ASN C C 144 171.278 171.278 173.602 -2.324 18389 8054 1 9 . 1 1 144 144 ASN CA C 144 49.474 49.474 51.983 -2.509 18389 8055 1 9 . 1 1 144 144 ASN CB C 144 38.179 38.179 38.607 -0.428 18389 8056 1 9 . 1 1 144 144 ASN H H 144 7.867 7.867 7.701 0.166 18389 8057 1 9 . 1 1 145 145 ILE N N 145 122.844 122.844 121.990 0.854 18389 8058 1 9 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.452 -0.612 18389 8059 1 9 . 1 1 145 145 ILE C C 145 172.420 172.420 174.992 -2.572 18389 8060 1 9 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.793 -1.932 18389 8061 1 9 . 1 1 145 145 ILE CB C 145 33.407 33.407 38.115 -4.708 18389 8062 1 9 . 1 1 145 145 ILE H H 145 8.770 8.770 8.401 0.369 18389 8063 1 9 . 1 1 146 146 ASP N N 146 125.428 125.428 125.171 0.257 18389 8064 1 9 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.723 -0.070 18389 8065 1 9 . 1 1 146 146 ASP C C 146 172.931 172.931 175.526 -2.595 18389 8066 1 9 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.410 -2.058 18389 8067 1 9 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.902 0.010 18389 8068 1 9 . 1 1 146 146 ASP H H 146 9.355 9.355 9.057 0.298 18389 8069 1 9 . 1 1 147 147 SER N N 147 108.442 108.442 111.687 -3.245 18389 8070 1 9 . 1 1 147 147 SER HA H 147 5.054 5.054 5.402 -0.348 18389 8071 1 9 . 1 1 147 147 SER C C 147 169.957 169.957 172.501 -2.544 18389 8072 1 9 . 1 1 147 147 SER CA C 147 54.584 54.584 57.450 -2.866 18389 8073 1 9 . 1 1 147 147 SER CB C 147 62.518 62.518 66.939 -4.421 18389 8074 1 9 . 1 1 147 147 SER H H 147 7.927 7.927 7.673 0.254 18389 8075 1 9 . 1 1 148 148 ILE N N 148 110.150 110.150 114.499 -4.349 18389 8076 1 9 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.160 0.489 18389 8077 1 9 . 1 1 148 148 ILE C C 148 171.932 171.932 173.390 -1.458 18389 8078 1 9 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.443 -2.821 18389 8079 1 9 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.510 -2.797 18389 8080 1 9 . 1 1 148 148 ILE H H 148 8.043 8.043 8.579 -0.536 18389 8081 1 9 . 1 1 149 149 HIS N N 149 118.612 118.612 120.374 -1.762 18389 8082 1 9 . 1 1 149 149 HIS HA H 149 6.490 6.490 4.887 1.603 18389 8083 1 9 . 1 1 149 149 HIS C C 149 174.287 174.287 173.445 0.842 18389 8084 1 9 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.610 -2.708 18389 8085 1 9 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.134 -1.175 18389 8086 1 9 . 1 1 149 149 HIS H H 149 9.331 9.331 8.696 0.635 18389 8087 1 9 . 1 1 150 150 PHE N N 150 117.037 117.037 117.645 -0.608 18389 8088 1 9 . 1 1 150 150 PHE HA H 150 5.530 5.530 5.043 0.487 18389 8089 1 9 . 1 1 150 150 PHE C C 150 172.808 172.808 174.691 -1.883 18389 8090 1 9 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.205 0.298 18389 8091 1 9 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.813 -2.533 18389 8092 1 9 . 1 1 150 150 PHE H H 150 8.788 8.788 8.396 0.392 18389 8093 1 9 . 1 1 151 151 MET N N 151 119.781 119.781 117.602 2.179 18389 8094 1 9 . 1 1 151 151 MET HA H 151 4.664 4.664 4.423 0.241 18389 8095 1 9 . 1 1 151 151 MET C C 151 170.282 170.282 173.492 -3.210 18389 8096 1 9 . 1 1 151 151 MET CA C 151 52.146 52.146 54.334 -2.188 18389 8097 1 9 . 1 1 151 151 MET CB C 151 34.947 34.947 37.696 -2.748 18389 8098 1 9 . 1 1 151 151 MET H H 151 9.761 9.761 8.480 1.281 18389 8099 1 9 . 1 1 152 152 TYR N N 152 117.149 117.149 120.918 -3.769 18389 8100 1 9 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.574 -0.498 18389 8101 1 9 . 1 1 152 152 TYR C C 152 171.554 171.554 175.178 -3.624 18389 8102 1 9 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.891 -1.546 18389 8103 1 9 . 1 1 152 152 TYR CB C 152 36.904 36.904 36.239 0.665 18389 8104 1 9 . 1 1 152 152 TYR H H 152 6.275 6.275 8.433 -2.158 18389 8105 1 9 . 1 1 153 153 ALA N N 153 121.523 121.523 124.900 -3.377 18389 8106 1 9 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.104 0.059 18389 8107 1 9 . 1 1 153 153 ALA C C 153 173.777 173.777 176.848 -3.071 18389 8108 1 9 . 1 1 153 153 ALA CA C 153 49.185 49.185 53.232 -4.047 18389 8109 1 9 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.049 0.916 18389 8110 1 9 . 1 1 153 153 ALA H H 153 10.019 10.019 8.479 1.540 18389 8111 1 9 . 1 1 154 154 ASN N N 154 114.643 114.643 113.615 1.028 18389 8112 1 9 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.859 0.325 18389 8113 1 9 . 1 1 154 154 ASN C C 154 173.267 173.267 174.212 -0.945 18389 8114 1 9 . 1 1 154 154 ASN CA C 154 49.915 49.915 51.907 -1.992 18389 8115 1 9 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.035 -3.322 18389 8116 1 9 . 1 1 154 154 ASN H H 154 8.141 8.141 7.771 0.370 18389 8117 1 9 . 1 1 156 156 LYS N N 156 119.099 119.099 118.923 0.176 18389 8118 1 9 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.539 0.199 18389 8119 1 9 . 1 1 156 156 LYS C C 156 173.965 173.965 175.186 -1.221 18389 8120 1 9 . 1 1 156 156 LYS CA C 156 53.872 53.872 55.568 -1.696 18389 8121 1 9 . 1 1 156 156 LYS CB C 156 30.426 30.426 35.235 -4.809 18389 8122 1 9 . 1 1 156 156 LYS H H 156 8.298 8.298 7.711 0.587 18389 8123 1 9 . 1 1 157 157 SER N N 157 115.584 115.584 114.042 1.542 18389 8124 1 9 . 1 1 157 157 SER HA H 157 5.055 5.055 5.245 -0.190 18389 8125 1 9 . 1 1 157 157 SER C C 157 169.925 169.925 173.238 -3.313 18389 8126 1 9 . 1 1 157 157 SER CA C 157 55.617 55.617 57.258 -1.641 18389 8127 1 9 . 1 1 157 157 SER CB C 157 63.180 63.180 66.138 -2.958 18389 8128 1 9 . 1 1 157 157 SER H H 157 8.240 8.240 8.481 -0.241 18389 8129 1 9 . 1 1 158 158 GLY N N 158 108.219 108.219 108.048 0.171 18389 8130 1 9 . 1 1 158 158 GLY C C 158 168.322 168.322 171.397 -3.075 18389 8131 1 9 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.420 -1.855 18389 8132 1 9 . 1 1 158 158 GLY H H 158 6.942 6.942 8.169 -1.227 18389 8133 1 9 . 1 1 159 159 LYS N N 159 116.608 116.608 118.894 -2.286 18389 8134 1 9 . 1 1 159 159 LYS HA H 159 5.521 5.521 4.921 0.600 18389 8135 1 9 . 1 1 159 159 LYS C C 159 172.966 172.966 174.517 -1.551 18389 8136 1 9 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.505 -1.364 18389 8137 1 9 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.416 -1.711 18389 8138 1 9 . 1 1 159 159 LYS H H 159 7.925 7.925 7.850 0.075 18389 8139 1 9 . 1 1 160 160 PHE N N 160 121.804 121.804 119.386 2.418 18389 8140 1 9 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.270 0.255 18389 8141 1 9 . 1 1 160 160 PHE C C 160 168.125 168.125 174.516 -6.391 18389 8142 1 9 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.264 -2.950 18389 8143 1 9 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.545 -4.494 18389 8144 1 9 . 1 1 160 160 PHE H H 160 8.834 8.834 9.193 -0.359 18389 8145 1 9 . 1 1 161 161 VAL N N 161 119.787 119.787 115.096 4.691 18389 8146 1 9 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.186 0.192 18389 8147 1 9 . 1 1 161 161 VAL C C 161 170.736 170.736 174.195 -3.459 18389 8148 1 9 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.362 -3.706 18389 8149 1 9 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.359 -3.422 18389 8150 1 9 . 1 1 161 161 VAL H H 161 9.277 9.277 9.097 0.180 18389 8151 1 9 . 1 1 162 162 VAL N N 162 121.357 121.357 122.846 -1.489 18389 8152 1 9 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.187 0.780 18389 8153 1 9 . 1 1 162 162 VAL C C 162 170.928 170.928 173.443 -2.515 18389 8154 1 9 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.102 -3.416 18389 8155 1 9 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.393 -1.551 18389 8156 1 9 . 1 1 162 162 VAL H H 162 8.453 8.453 9.119 -0.666 18389 8157 1 9 . 1 1 163 163 ASP N N 163 119.088 119.088 126.527 -7.439 18389 8158 1 9 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.409 0.170 18389 8159 1 9 . 1 1 163 163 ASP C C 163 172.563 172.563 175.155 -2.592 18389 8160 1 9 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.063 -2.581 18389 8161 1 9 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.663 -2.200 18389 8162 1 9 . 1 1 163 163 ASP H H 163 9.233 9.233 8.922 0.311 18389 8163 1 9 . 1 1 164 164 ASN N N 164 117.316 117.316 116.532 0.784 18389 8164 1 9 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.632 0.017 18389 8165 1 9 . 1 1 164 164 ASN C C 164 170.940 170.940 174.625 -3.685 18389 8166 1 9 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.483 -1.811 18389 8167 1 9 . 1 1 164 164 ASN CB C 164 35.395 35.395 38.202 -2.807 18389 8168 1 9 . 1 1 164 164 ASN H H 164 9.864 9.864 8.818 1.046 18389 8169 1 9 . 1 1 165 165 ILE N N 165 118.660 118.660 120.870 -2.210 18389 8170 1 9 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.412 1.027 18389 8171 1 9 . 1 1 165 165 ILE C C 165 173.336 173.336 175.165 -1.829 18389 8172 1 9 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.617 -3.462 18389 8173 1 9 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.404 -2.217 18389 8174 1 9 . 1 1 165 165 ILE H H 165 8.716 8.716 8.229 0.487 18389 8175 1 9 . 1 1 166 166 LYS N N 166 127.896 127.896 125.653 2.243 18389 8176 1 9 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.198 -0.020 18389 8177 1 9 . 1 1 166 166 LYS C C 166 170.453 170.453 174.207 -3.754 18389 8178 1 9 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.187 -1.663 18389 8179 1 9 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.992 -1.746 18389 8180 1 9 . 1 1 166 166 LYS H H 166 9.921 9.921 9.201 0.720 18389 8181 1 9 . 1 1 167 167 LEU N N 167 120.747 120.747 120.355 0.392 18389 8182 1 9 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.877 -0.041 18389 8183 1 9 . 1 1 167 167 LEU C C 167 173.703 173.703 175.507 -1.804 18389 8184 1 9 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.170 -2.591 18389 8185 1 9 . 1 1 167 167 LEU CB C 167 40.711 40.711 45.164 -4.453 18389 8186 1 9 . 1 1 167 167 LEU H H 167 8.552 8.552 8.771 -0.219 18389 8187 1 9 . 1 1 168 168 ILE N N 168 116.914 116.914 121.833 -4.919 18389 8188 1 9 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.851 0.138 18389 8189 1 9 . 1 1 168 168 ILE C C 168 173.923 173.923 177.045 -3.122 18389 8190 1 9 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.414 -1.038 18389 8191 1 9 . 1 1 168 168 ILE CB C 168 38.938 38.938 37.204 1.734 18389 8192 1 9 . 1 1 168 168 ILE H H 168 8.523 8.523 8.621 -0.098 18389 8193 1 9 . 1 1 169 169 GLY N N 169 114.527 114.527 114.039 0.488 18389 8194 1 9 . 1 1 169 169 GLY C C 169 169.252 169.252 172.677 -3.425 18389 8195 1 9 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.540 -1.615 18389 8196 1 9 . 1 1 169 169 GLY H H 169 8.942 8.942 8.779 0.163 18389 8197 1 9 . 1 1 170 170 ALA N N 170 123.678 123.678 120.613 3.065 18389 8198 1 9 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.685 -0.261 18389 8199 1 9 . 1 1 170 170 ALA C C 170 174.985 174.985 175.751 -0.766 18389 8200 1 9 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.911 -2.567 18389 8201 1 9 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.959 -3.872 18389 8202 1 9 . 1 1 170 170 ALA H H 170 8.321 8.321 8.212 0.109 18389 8203 1 9 . 1 1 171 171 LEU N N 171 122.139 122.139 118.659 3.480 18389 8204 1 9 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.677 -0.272 18389 8205 1 9 . 1 1 171 171 LEU C C 171 174.478 174.478 175.878 -1.400 18389 8206 1 9 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.826 -2.192 18389 8207 1 9 . 1 1 171 171 LEU CB C 171 40.111 40.111 42.941 -2.830 18389 8208 1 9 . 1 1 171 171 LEU H H 171 8.182 8.182 8.412 -0.230 18389 8209 1 10 . 1 1 2 2 ALA N N 2 119.048 119.048 126.631 -7.583 18389 8210 1 10 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.981 -0.697 18389 8211 1 10 . 1 1 2 2 ALA C C 2 174.144 174.144 176.999 -2.855 18389 8212 1 10 . 1 1 2 2 ALA CA C 2 48.383 48.383 50.823 -2.440 18389 8213 1 10 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.483 -0.654 18389 8214 1 10 . 1 1 2 2 ALA H H 2 9.577 9.577 8.380 1.197 18389 8215 1 10 . 1 1 3 3 SER N N 3 114.278 114.278 116.803 -2.525 18389 8216 1 10 . 1 1 3 3 SER C C 3 173.040 173.040 175.445 -2.405 18389 8217 1 10 . 1 1 3 3 SER H H 3 8.152 8.152 9.036 -0.884 18389 8218 1 10 . 1 1 6 6 GLY N N 6 112.362 112.362 110.654 1.708 18389 8219 1 10 . 1 1 6 6 GLY C C 6 170.686 170.686 173.566 -2.880 18389 8220 1 10 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.369 -2.056 18389 8221 1 10 . 1 1 6 6 GLY H H 6 8.750 8.750 8.724 0.026 18389 8222 1 10 . 1 1 7 7 GLU N N 7 117.722 117.722 123.352 -5.630 18389 8223 1 10 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.298 0.131 18389 8224 1 10 . 1 1 7 7 GLU C C 7 172.744 172.744 175.192 -2.448 18389 8225 1 10 . 1 1 7 7 GLU CA C 7 52.248 52.248 53.325 -1.077 18389 8226 1 10 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.026 -1.856 18389 8227 1 10 . 1 1 7 7 GLU H H 7 8.078 8.078 7.930 0.148 18389 8228 1 10 . 1 1 8 8 LYS N N 8 122.832 122.832 121.925 0.907 18389 8229 1 10 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.347 0.192 18389 8230 1 10 . 1 1 8 8 LYS C C 8 171.963 171.963 174.530 -2.567 18389 8231 1 10 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.497 -1.932 18389 8232 1 10 . 1 1 8 8 LYS CB C 8 33.185 33.185 34.297 -1.112 18389 8233 1 10 . 1 1 8 8 LYS H H 8 8.434 8.434 8.352 0.082 18389 8234 1 10 . 1 1 9 9 MET N N 9 128.562 128.562 126.434 2.128 18389 8235 1 10 . 1 1 9 9 MET HA H 9 4.536 4.536 4.297 0.239 18389 8236 1 10 . 1 1 9 9 MET C C 9 172.911 172.911 174.956 -2.045 18389 8237 1 10 . 1 1 9 9 MET CA C 9 53.012 53.012 56.544 -3.532 18389 8238 1 10 . 1 1 9 9 MET CB C 9 28.376 28.376 32.807 -4.431 18389 8239 1 10 . 1 1 9 9 MET H H 9 8.984 8.984 8.601 0.383 18389 8240 1 10 . 1 1 10 10 LEU N N 10 129.881 129.881 125.349 4.532 18389 8241 1 10 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.626 0.038 18389 8242 1 10 . 1 1 10 10 LEU C C 10 174.887 174.887 176.909 -2.022 18389 8243 1 10 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.388 -2.175 18389 8244 1 10 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.496 -3.097 18389 8245 1 10 . 1 1 10 10 LEU H H 10 9.751 9.751 8.819 0.932 18389 8246 1 10 . 1 1 11 11 ASP N N 11 115.516 115.516 117.285 -1.769 18389 8247 1 10 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.870 -0.147 18389 8248 1 10 . 1 1 11 11 ASP C C 11 170.836 170.836 174.484 -3.648 18389 8249 1 10 . 1 1 11 11 ASP CA C 11 53.583 53.583 52.654 0.929 18389 8250 1 10 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.766 -3.547 18389 8251 1 10 . 1 1 11 11 ASP H H 11 8.110 8.110 8.011 0.099 18389 8252 1 10 . 1 1 12 12 ASP N N 12 124.144 124.144 118.370 5.774 18389 8253 1 10 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.604 0.247 18389 8254 1 10 . 1 1 12 12 ASP C C 12 175.055 175.055 176.862 -1.807 18389 8255 1 10 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.983 -2.673 18389 8256 1 10 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.787 -3.592 18389 8257 1 10 . 1 1 12 12 ASP H H 12 8.053 8.053 8.322 -0.269 18389 8258 1 10 . 1 1 13 13 PHE N N 13 117.584 117.584 120.386 -2.802 18389 8259 1 10 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.123 0.149 18389 8260 1 10 . 1 1 13 13 PHE C C 13 171.960 171.960 176.909 -4.949 18389 8261 1 10 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.118 -0.205 18389 8262 1 10 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.727 -4.552 18389 8263 1 10 . 1 1 13 13 PHE H H 13 9.327 9.327 8.354 0.973 18389 8264 1 10 . 1 1 14 14 GLU N N 14 113.122 113.122 120.903 -7.781 18389 8265 1 10 . 1 1 14 14 GLU HA H 14 5.049 5.049 3.864 1.185 18389 8266 1 10 . 1 1 14 14 GLU C C 14 175.300 175.300 175.556 -0.256 18389 8267 1 10 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.413 -5.432 18389 8268 1 10 . 1 1 14 14 GLU CB C 14 24.994 24.994 27.963 -2.969 18389 8269 1 10 . 1 1 14 14 GLU H H 14 8.165 8.165 8.949 -0.784 18389 8270 1 10 . 1 1 15 15 GLY N N 15 110.108 110.108 108.019 2.089 18389 8271 1 10 . 1 1 15 15 GLY C C 15 171.609 171.609 173.865 -2.256 18389 8272 1 10 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.472 -2.618 18389 8273 1 10 . 1 1 15 15 GLY H H 15 8.117 8.117 8.188 -0.071 18389 8274 1 10 . 1 1 16 16 VAL N N 16 121.792 121.792 121.548 0.244 18389 8275 1 10 . 1 1 16 16 VAL HA H 16 4.271 4.271 3.932 0.339 18389 8276 1 10 . 1 1 16 16 VAL C C 16 173.203 173.203 176.241 -3.038 18389 8277 1 10 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.832 -3.549 18389 8278 1 10 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.171 -1.970 18389 8279 1 10 . 1 1 16 16 VAL H H 16 8.190 8.190 8.153 0.037 18389 8280 1 10 . 1 1 17 17 LEU N N 17 124.682 124.682 128.813 -4.131 18389 8281 1 10 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.475 0.423 18389 8282 1 10 . 1 1 17 17 LEU C C 17 174.685 174.685 176.900 -2.215 18389 8283 1 10 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.190 -2.392 18389 8284 1 10 . 1 1 17 17 LEU CB C 17 39.136 39.136 43.368 -4.232 18389 8285 1 10 . 1 1 17 17 LEU H H 17 8.500 8.500 8.380 0.120 18389 8286 1 10 . 1 1 18 18 ASN N N 18 127.589 127.589 120.228 7.361 18389 8287 1 10 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.397 0.750 18389 8288 1 10 . 1 1 18 18 ASN C C 18 171.583 171.583 173.350 -1.767 18389 8289 1 10 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.081 -1.104 18389 8290 1 10 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.126 -0.983 18389 8291 1 10 . 1 1 18 18 ASN H H 18 9.956 9.956 8.278 1.678 18389 8292 1 10 . 1 1 19 19 TRP N N 19 119.913 119.913 118.232 1.681 18389 8293 1 10 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.996 0.062 18389 8294 1 10 . 1 1 19 19 TRP C C 19 174.918 174.918 176.581 -1.663 18389 8295 1 10 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.135 -0.759 18389 8296 1 10 . 1 1 19 19 TRP CB C 19 27.400 27.400 32.236 -4.836 18389 8297 1 10 . 1 1 19 19 TRP H H 19 7.057 7.057 7.121 -0.064 18389 8298 1 10 . 1 1 20 20 GLY N N 20 112.934 112.934 110.847 2.087 18389 8299 1 10 . 1 1 20 20 GLY C C 20 171.436 171.436 174.140 -2.704 18389 8300 1 10 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.720 -3.780 18389 8301 1 10 . 1 1 20 20 GLY H H 20 9.622 9.622 9.252 0.370 18389 8302 1 10 . 1 1 21 21 SER N N 21 114.752 114.752 120.380 -5.628 18389 8303 1 10 . 1 1 21 21 SER HA H 21 5.686 5.686 4.823 0.863 18389 8304 1 10 . 1 1 21 21 SER C C 21 170.314 170.314 173.913 -3.599 18389 8305 1 10 . 1 1 21 21 SER CA C 21 55.911 55.911 58.848 -2.937 18389 8306 1 10 . 1 1 21 21 SER CB C 21 64.070 64.070 64.112 -0.043 18389 8307 1 10 . 1 1 21 21 SER H H 21 8.899 8.899 7.939 0.960 18389 8308 1 10 . 1 1 22 22 TYR N N 22 118.001 118.001 119.785 -1.784 18389 8309 1 10 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.829 0.471 18389 8310 1 10 . 1 1 22 22 TYR C C 22 170.760 170.760 173.136 -2.376 18389 8311 1 10 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.036 -2.386 18389 8312 1 10 . 1 1 22 22 TYR CB C 22 37.824 37.824 39.864 -2.040 18389 8313 1 10 . 1 1 22 22 TYR H H 22 8.807 8.807 8.484 0.323 18389 8314 1 10 . 1 1 23 23 SER N N 23 109.826 109.826 114.366 -4.540 18389 8315 1 10 . 1 1 23 23 SER HA H 23 4.912 4.912 4.939 -0.027 18389 8316 1 10 . 1 1 23 23 SER C C 23 169.918 169.918 172.767 -2.849 18389 8317 1 10 . 1 1 23 23 SER CA C 23 55.664 55.664 57.136 -1.472 18389 8318 1 10 . 1 1 23 23 SER CB C 23 62.361 62.361 66.687 -4.326 18389 8319 1 10 . 1 1 23 23 SER H H 23 8.435 8.435 8.479 -0.044 18389 8320 1 10 . 1 1 24 24 GLY N N 24 103.788 103.788 105.966 -2.178 18389 8321 1 10 . 1 1 24 24 GLY C C 24 170.240 170.240 173.065 -2.825 18389 8322 1 10 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.524 -2.757 18389 8323 1 10 . 1 1 24 24 GLY H H 24 7.339 7.339 8.258 -0.919 18389 8324 1 10 . 1 1 25 25 GLU N N 25 116.420 116.420 118.570 -2.150 18389 8325 1 10 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.910 0.199 18389 8326 1 10 . 1 1 25 25 GLU C C 25 173.683 173.683 176.813 -3.130 18389 8327 1 10 . 1 1 25 25 GLU CA C 25 53.687 53.687 56.844 -3.157 18389 8328 1 10 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.473 -3.326 18389 8329 1 10 . 1 1 25 25 GLU H H 25 8.962 8.962 9.069 -0.107 18389 8330 1 10 . 1 1 26 26 GLY N N 26 106.660 106.660 102.797 3.863 18389 8331 1 10 . 1 1 26 26 GLY C C 26 171.638 171.638 173.735 -2.097 18389 8332 1 10 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.866 -1.693 18389 8333 1 10 . 1 1 26 26 GLY H H 26 8.483 8.483 8.341 0.142 18389 8334 1 10 . 1 1 27 27 ALA N N 27 123.407 123.407 122.855 0.552 18389 8335 1 10 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.156 0.491 18389 8336 1 10 . 1 1 27 27 ALA C C 27 174.232 174.232 175.647 -1.415 18389 8337 1 10 . 1 1 27 27 ALA CA C 27 49.563 49.563 52.138 -2.575 18389 8338 1 10 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.301 -2.763 18389 8339 1 10 . 1 1 27 27 ALA H H 27 7.182 7.182 7.411 -0.229 18389 8340 1 10 . 1 1 28 28 LYS N N 28 117.590 117.590 117.899 -0.309 18389 8341 1 10 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.665 0.227 18389 8342 1 10 . 1 1 28 28 LYS C C 28 171.365 171.365 174.865 -3.500 18389 8343 1 10 . 1 1 28 28 LYS CA C 28 52.419 52.419 54.269 -1.850 18389 8344 1 10 . 1 1 28 28 LYS CB C 28 34.544 34.544 37.206 -2.662 18389 8345 1 10 . 1 1 28 28 LYS H H 28 8.650 8.650 8.428 0.222 18389 8346 1 10 . 1 1 29 29 VAL N N 29 118.148 118.148 117.809 0.339 18389 8347 1 10 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.780 0.461 18389 8348 1 10 . 1 1 29 29 VAL C C 29 169.809 169.809 174.790 -4.981 18389 8349 1 10 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.309 -3.226 18389 8350 1 10 . 1 1 29 29 VAL CB C 29 31.475 31.475 34.389 -2.914 18389 8351 1 10 . 1 1 29 29 VAL H H 29 8.327 8.327 8.418 -0.091 18389 8352 1 10 . 1 1 30 30 SER N N 30 120.964 120.964 119.316 1.648 18389 8353 1 10 . 1 1 30 30 SER HA H 30 4.993 4.993 4.810 0.183 18389 8354 1 10 . 1 1 30 30 SER C C 30 170.354 170.354 172.990 -2.636 18389 8355 1 10 . 1 1 30 30 SER CA C 30 54.438 54.438 56.936 -2.498 18389 8356 1 10 . 1 1 30 30 SER CB C 30 63.262 63.262 65.236 -1.974 18389 8357 1 10 . 1 1 30 30 SER H H 30 8.797 8.797 8.425 0.372 18389 8358 1 10 . 1 1 31 31 THR N N 31 112.970 112.970 117.016 -4.046 18389 8359 1 10 . 1 1 31 31 THR HA H 31 5.618 5.618 5.425 0.193 18389 8360 1 10 . 1 1 31 31 THR C C 31 171.857 171.857 174.330 -2.473 18389 8361 1 10 . 1 1 31 31 THR CA C 31 56.212 56.212 60.389 -4.177 18389 8362 1 10 . 1 1 31 31 THR CB C 31 69.719 69.719 70.302 -0.582 18389 8363 1 10 . 1 1 31 31 THR H H 31 8.384 8.384 8.153 0.231 18389 8364 1 10 . 1 1 32 32 LYS N N 32 119.710 119.710 125.248 -5.538 18389 8365 1 10 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.755 -0.029 18389 8366 1 10 . 1 1 32 32 LYS C C 32 171.734 171.734 175.044 -3.310 18389 8367 1 10 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.215 -1.242 18389 8368 1 10 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.446 -2.352 18389 8369 1 10 . 1 1 32 32 LYS H H 32 8.530 8.530 8.901 -0.371 18389 8370 1 10 . 1 1 33 33 ILE N N 33 124.276 124.276 121.904 2.372 18389 8371 1 10 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.864 0.110 18389 8372 1 10 . 1 1 33 33 ILE C C 33 173.578 173.578 176.075 -2.497 18389 8373 1 10 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.910 -3.471 18389 8374 1 10 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.613 -5.150 18389 8375 1 10 . 1 1 33 33 ILE H H 33 8.669 8.669 8.392 0.277 18389 8376 1 10 . 1 1 34 34 VAL N N 34 121.698 121.698 123.822 -2.124 18389 8377 1 10 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.668 0.199 18389 8378 1 10 . 1 1 34 34 VAL C C 34 172.702 172.702 174.801 -2.099 18389 8379 1 10 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.680 -3.021 18389 8380 1 10 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.077 -0.168 18389 8381 1 10 . 1 1 34 34 VAL H H 34 8.463 8.463 8.799 -0.336 18389 8382 1 10 . 1 1 35 35 SER N N 35 115.704 115.704 115.379 0.325 18389 8383 1 10 . 1 1 35 35 SER HA H 35 4.590 4.590 4.788 -0.198 18389 8384 1 10 . 1 1 35 35 SER CA C 35 58.345 58.345 58.156 0.189 18389 8385 1 10 . 1 1 35 35 SER CB C 35 60.619 60.619 64.079 -3.460 18389 8386 1 10 . 1 1 35 35 SER H H 35 8.271 8.271 8.396 -0.125 18389 8387 1 10 . 1 1 36 36 GLY N N 36 113.970 113.970 110.844 3.126 18389 8388 1 10 . 1 1 36 36 GLY C C 36 170.257 170.257 172.697 -2.440 18389 8389 1 10 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.212 -3.514 18389 8390 1 10 . 1 1 36 36 GLY H H 36 9.267 9.267 8.580 0.687 18389 8391 1 10 . 1 1 37 37 LYS N N 37 129.227 129.227 118.965 10.262 18389 8392 1 10 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.239 -0.884 18389 8393 1 10 . 1 1 37 37 LYS C C 37 174.912 174.912 176.963 -2.051 18389 8394 1 10 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.309 -1.754 18389 8395 1 10 . 1 1 37 37 LYS CB C 37 29.409 29.409 33.146 -3.737 18389 8396 1 10 . 1 1 37 37 LYS H H 37 8.484 8.484 8.662 -0.178 18389 8397 1 10 . 1 1 38 38 THR N N 38 109.924 109.924 111.463 -1.539 18389 8398 1 10 . 1 1 38 38 THR HA H 38 4.398 4.398 4.634 -0.236 18389 8399 1 10 . 1 1 38 38 THR C C 38 171.818 171.818 174.496 -2.678 18389 8400 1 10 . 1 1 38 38 THR CA C 38 57.223 57.223 60.500 -3.277 18389 8401 1 10 . 1 1 38 38 THR CB C 38 67.805 67.805 69.116 -1.311 18389 8402 1 10 . 1 1 38 38 THR H H 38 7.549 7.549 8.321 -0.772 18389 8403 1 10 . 1 1 40 40 ASN N N 40 129.674 129.674 124.169 5.505 18389 8404 1 10 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.885 0.638 18389 8405 1 10 . 1 1 40 40 ASN C C 40 173.717 173.717 175.914 -2.197 18389 8406 1 10 . 1 1 40 40 ASN CA C 40 50.322 50.322 53.055 -2.733 18389 8407 1 10 . 1 1 40 40 ASN CB C 40 38.188 38.188 39.098 -0.910 18389 8408 1 10 . 1 1 40 40 ASN H H 40 10.958 10.958 8.206 2.752 18389 8409 1 10 . 1 1 41 41 GLY N N 41 111.261 111.261 106.270 4.991 18389 8410 1 10 . 1 1 41 41 GLY C C 41 166.652 166.652 172.517 -5.865 18389 8411 1 10 . 1 1 41 41 GLY CA C 41 41.711 41.711 44.390 -2.679 18389 8412 1 10 . 1 1 41 41 GLY H H 41 9.674 9.674 8.593 1.081 18389 8413 1 10 . 1 1 42 42 MET N N 42 119.165 119.165 120.227 -1.062 18389 8414 1 10 . 1 1 42 42 MET HA H 42 4.849 4.849 5.405 -0.556 18389 8415 1 10 . 1 1 42 42 MET C C 42 171.154 171.154 173.936 -2.782 18389 8416 1 10 . 1 1 42 42 MET CA C 42 51.503 51.503 53.343 -1.841 18389 8417 1 10 . 1 1 42 42 MET CB C 42 33.293 33.293 36.326 -3.033 18389 8418 1 10 . 1 1 42 42 MET H H 42 7.550 7.550 8.972 -1.422 18389 8419 1 10 . 1 1 43 43 GLU N N 43 128.221 128.221 127.148 1.073 18389 8420 1 10 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.347 -0.481 18389 8421 1 10 . 1 1 43 43 GLU C C 43 172.612 172.612 175.045 -2.433 18389 8422 1 10 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.150 -2.471 18389 8423 1 10 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.690 -3.294 18389 8424 1 10 . 1 1 43 43 GLU H H 43 9.355 9.355 9.035 0.320 18389 8425 1 10 . 1 1 44 44 VAL N N 44 131.011 131.011 126.689 4.322 18389 8426 1 10 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.907 -0.545 18389 8427 1 10 . 1 1 44 44 VAL C C 44 171.752 171.752 174.977 -3.225 18389 8428 1 10 . 1 1 44 44 VAL CA C 44 58.335 58.335 60.972 -2.637 18389 8429 1 10 . 1 1 44 44 VAL CB C 44 28.950 28.950 33.539 -4.589 18389 8430 1 10 . 1 1 44 44 VAL H H 44 9.002 9.002 9.200 -0.198 18389 8431 1 10 . 1 1 45 45 SER N N 45 120.764 120.764 120.716 0.048 18389 8432 1 10 . 1 1 45 45 SER HA H 45 4.975 4.975 5.048 -0.073 18389 8433 1 10 . 1 1 45 45 SER C C 45 170.500 170.500 173.575 -3.075 18389 8434 1 10 . 1 1 45 45 SER CA C 45 53.547 53.547 56.596 -3.049 18389 8435 1 10 . 1 1 45 45 SER CB C 45 61.650 61.650 64.303 -2.653 18389 8436 1 10 . 1 1 45 45 SER H H 45 8.511 8.511 8.340 0.171 18389 8437 1 10 . 1 1 46 46 TYR N N 46 123.478 123.478 127.862 -4.384 18389 8438 1 10 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.292 -0.017 18389 8439 1 10 . 1 1 46 46 TYR C C 46 171.644 171.644 176.163 -4.519 18389 8440 1 10 . 1 1 46 46 TYR CA C 46 52.235 52.235 57.564 -5.329 18389 8441 1 10 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.620 -4.155 18389 8442 1 10 . 1 1 46 46 TYR H H 46 8.511 8.511 9.278 -0.767 18389 8443 1 10 . 1 1 47 47 THR N N 47 118.641 118.641 118.901 -0.260 18389 8444 1 10 . 1 1 47 47 THR HA H 47 4.793 4.793 4.645 0.148 18389 8445 1 10 . 1 1 47 47 THR C C 47 171.614 171.614 173.621 -2.007 18389 8446 1 10 . 1 1 47 47 THR CA C 47 58.267 58.267 61.263 -2.996 18389 8447 1 10 . 1 1 47 47 THR CB C 47 68.820 68.820 70.808 -1.988 18389 8448 1 10 . 1 1 47 47 THR H H 47 8.935 8.935 8.601 0.334 18389 8449 1 10 . 1 1 48 48 GLY N N 48 112.467 112.467 111.355 1.112 18389 8450 1 10 . 1 1 48 48 GLY C C 48 170.521 170.521 172.071 -1.550 18389 8451 1 10 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.244 -1.168 18389 8452 1 10 . 1 1 48 48 GLY H H 48 7.723 7.723 7.742 -0.019 18389 8453 1 10 . 1 1 49 49 THR N N 49 106.823 106.823 109.994 -3.171 18389 8454 1 10 . 1 1 49 49 THR HA H 49 4.913 4.913 4.412 0.501 18389 8455 1 10 . 1 1 49 49 THR C C 49 172.529 172.529 175.327 -2.798 18389 8456 1 10 . 1 1 49 49 THR CA C 49 57.385 57.385 59.628 -2.243 18389 8457 1 10 . 1 1 49 49 THR CB C 49 69.609 69.609 72.146 -2.537 18389 8458 1 10 . 1 1 49 49 THR H H 49 8.019 8.019 6.760 1.259 18389 8459 1 10 . 1 1 51 51 ASP N N 51 118.095 118.095 119.752 -1.657 18389 8460 1 10 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.955 0.049 18389 8461 1 10 . 1 1 51 51 ASP C C 51 172.913 172.913 176.540 -3.627 18389 8462 1 10 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.401 -1.155 18389 8463 1 10 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.713 -2.943 18389 8464 1 10 . 1 1 51 51 ASP H H 51 8.613 8.613 8.163 0.450 18389 8465 1 10 . 1 1 52 52 GLY N N 52 107.075 107.075 109.081 -2.006 18389 8466 1 10 . 1 1 52 52 GLY C C 52 169.748 169.748 173.623 -3.875 18389 8467 1 10 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.148 -2.241 18389 8468 1 10 . 1 1 52 52 GLY H H 52 7.651 7.651 8.056 -0.405 18389 8469 1 10 . 1 1 53 53 TYR N N 53 112.556 112.556 115.718 -3.162 18389 8470 1 10 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.190 -0.569 18389 8471 1 10 . 1 1 53 53 TYR C C 53 169.219 169.219 173.269 -4.050 18389 8472 1 10 . 1 1 53 53 TYR CA C 53 52.106 52.106 55.420 -3.314 18389 8473 1 10 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.115 -1.085 18389 8474 1 10 . 1 1 53 53 TYR H H 53 6.918 6.918 8.146 -1.228 18389 8475 1 10 . 1 1 54 54 TRP N N 54 112.748 112.748 119.082 -6.334 18389 8476 1 10 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.425 -0.046 18389 8477 1 10 . 1 1 54 54 TRP C C 54 171.085 171.085 174.423 -3.338 18389 8478 1 10 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.887 -3.627 18389 8479 1 10 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.760 -2.785 18389 8480 1 10 . 1 1 54 54 TRP H H 54 6.406 6.406 6.844 -0.438 18389 8481 1 10 . 1 1 55 55 GLY N N 55 108.552 108.552 111.267 -2.715 18389 8482 1 10 . 1 1 55 55 GLY C C 55 168.023 168.023 171.704 -3.681 18389 8483 1 10 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.438 -1.990 18389 8484 1 10 . 1 1 55 55 GLY H H 55 8.689 8.689 8.313 0.376 18389 8485 1 10 . 1 1 56 56 THR N N 56 113.376 113.376 113.401 -0.025 18389 8486 1 10 . 1 1 56 56 THR HA H 56 5.868 5.868 4.566 1.302 18389 8487 1 10 . 1 1 56 56 THR C C 56 170.376 170.376 172.454 -2.078 18389 8488 1 10 . 1 1 56 56 THR CA C 56 57.238 57.238 59.964 -2.726 18389 8489 1 10 . 1 1 56 56 THR CB C 56 69.053 69.053 70.926 -1.873 18389 8490 1 10 . 1 1 56 56 THR H H 56 9.518 9.518 8.157 1.361 18389 8491 1 10 . 1 1 57 57 VAL N N 57 123.361 123.361 121.372 1.989 18389 8492 1 10 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.221 1.232 18389 8493 1 10 . 1 1 57 57 VAL C C 57 169.082 169.082 174.019 -4.937 18389 8494 1 10 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.304 -5.255 18389 8495 1 10 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.340 -1.993 18389 8496 1 10 . 1 1 57 57 VAL H H 57 8.956 8.956 8.274 0.682 18389 8497 1 10 . 1 1 58 58 TYR N N 58 131.224 131.224 128.131 3.093 18389 8498 1 10 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.319 -0.743 18389 8499 1 10 . 1 1 58 58 TYR C C 58 172.050 172.050 173.242 -1.192 18389 8500 1 10 . 1 1 58 58 TYR CA C 58 51.582 51.582 55.719 -4.137 18389 8501 1 10 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.405 -6.444 18389 8502 1 10 . 1 1 58 58 TYR H H 58 8.641 8.641 8.657 -0.016 18389 8503 1 10 . 1 1 59 59 SER N N 59 123.126 123.126 122.851 0.275 18389 8504 1 10 . 1 1 59 59 SER HA H 59 4.304 4.304 4.994 -0.690 18389 8505 1 10 . 1 1 59 59 SER C C 59 170.891 170.891 174.217 -3.326 18389 8506 1 10 . 1 1 59 59 SER CA C 59 55.452 55.452 56.842 -1.390 18389 8507 1 10 . 1 1 59 59 SER CB C 59 60.048 60.048 64.011 -3.963 18389 8508 1 10 . 1 1 59 59 SER H H 59 8.217 8.217 8.950 -0.733 18389 8509 1 10 . 1 1 60 60 LEU N N 60 126.809 126.809 129.842 -3.033 18389 8510 1 10 . 1 1 60 60 LEU HA H 60 4.253 4.253 5.016 -0.763 18389 8511 1 10 . 1 1 60 60 LEU C C 60 173.994 173.994 175.896 -1.902 18389 8512 1 10 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.064 -3.014 18389 8513 1 10 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.688 -3.331 18389 8514 1 10 . 1 1 60 60 LEU H H 60 7.838 7.838 8.623 -0.785 18389 8515 1 10 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.435 0.138 18389 8516 1 10 . 1 1 61 61 PRO C C 61 173.514 173.514 176.464 -2.950 18389 8517 1 10 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.144 -2.893 18389 8518 1 10 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.135 -2.820 18389 8519 1 10 . 1 1 62 62 ASP N N 62 115.943 115.943 117.978 -2.035 18389 8520 1 10 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.783 0.056 18389 8521 1 10 . 1 1 62 62 ASP C C 62 172.949 172.949 175.809 -2.860 18389 8522 1 10 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.807 -3.101 18389 8523 1 10 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.459 -2.429 18389 8524 1 10 . 1 1 62 62 ASP H H 62 7.018 7.018 8.049 -1.031 18389 8525 1 10 . 1 1 63 63 GLY N N 63 112.680 112.680 110.352 2.328 18389 8526 1 10 . 1 1 63 63 GLY C C 63 170.273 170.273 174.067 -3.794 18389 8527 1 10 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.819 -1.818 18389 8528 1 10 . 1 1 63 63 GLY H H 63 8.417 8.417 8.687 -0.270 18389 8529 1 10 . 1 1 64 64 ASP N N 64 115.221 115.221 120.140 -4.919 18389 8530 1 10 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.546 0.747 18389 8531 1 10 . 1 1 64 64 ASP C C 64 174.354 174.354 176.433 -2.079 18389 8532 1 10 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.079 -1.812 18389 8533 1 10 . 1 1 64 64 ASP CB C 64 37.340 37.340 40.531 -3.191 18389 8534 1 10 . 1 1 64 64 ASP H H 64 7.766 7.766 8.007 -0.241 18389 8535 1 10 . 1 1 65 65 TRP N N 65 130.747 130.747 120.063 10.684 18389 8536 1 10 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.919 0.512 18389 8537 1 10 . 1 1 65 65 TRP C C 65 173.930 173.930 176.409 -2.479 18389 8538 1 10 . 1 1 65 65 TRP CA C 65 52.044 52.044 55.455 -3.410 18389 8539 1 10 . 1 1 65 65 TRP CB C 65 26.607 26.607 26.577 0.030 18389 8540 1 10 . 1 1 65 65 TRP H H 65 9.687 9.687 7.411 2.276 18389 8541 1 10 . 1 1 66 66 SER N N 66 114.151 114.151 115.278 -1.127 18389 8542 1 10 . 1 1 66 66 SER HA H 66 4.041 4.041 4.277 -0.236 18389 8543 1 10 . 1 1 66 66 SER CA C 66 59.812 59.812 60.243 -0.431 18389 8544 1 10 . 1 1 66 66 SER CB C 66 60.892 60.892 63.018 -2.126 18389 8545 1 10 . 1 1 66 66 SER H H 66 8.568 8.568 7.922 0.646 18389 8546 1 10 . 1 1 70 70 LYS N N 70 117.090 117.090 116.309 0.781 18389 8547 1 10 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.041 0.357 18389 8548 1 10 . 1 1 70 70 LYS C C 70 170.030 170.030 174.124 -4.094 18389 8549 1 10 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.479 -3.620 18389 8550 1 10 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.789 -1.833 18389 8551 1 10 . 1 1 70 70 LYS H H 70 8.308 8.308 7.594 0.714 18389 8552 1 10 . 1 1 71 71 ILE N N 71 118.764 118.764 120.170 -1.406 18389 8553 1 10 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.655 0.559 18389 8554 1 10 . 1 1 71 71 ILE C C 71 169.396 169.396 174.062 -4.666 18389 8555 1 10 . 1 1 71 71 ILE CA C 71 55.333 55.333 58.834 -3.501 18389 8556 1 10 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.325 -1.679 18389 8557 1 10 . 1 1 71 71 ILE H H 71 7.816 7.816 8.262 -0.446 18389 8558 1 10 . 1 1 72 72 SER N N 72 120.952 120.952 117.466 3.486 18389 8559 1 10 . 1 1 72 72 SER HA H 72 5.852 5.852 4.674 1.178 18389 8560 1 10 . 1 1 72 72 SER C C 72 170.208 170.208 172.557 -2.349 18389 8561 1 10 . 1 1 72 72 SER CA C 72 52.457 52.457 56.253 -3.796 18389 8562 1 10 . 1 1 72 72 SER CB C 72 64.125 64.125 64.765 -0.640 18389 8563 1 10 . 1 1 72 72 SER H H 72 9.237 9.237 8.427 0.810 18389 8564 1 10 . 1 1 73 73 PHE N N 73 117.161 117.161 120.538 -3.377 18389 8565 1 10 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.308 0.063 18389 8566 1 10 . 1 1 73 73 PHE C C 73 170.381 170.381 173.260 -2.879 18389 8567 1 10 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.337 -1.540 18389 8568 1 10 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.258 -2.686 18389 8569 1 10 . 1 1 73 73 PHE H H 73 8.093 8.093 7.583 0.510 18389 8570 1 10 . 1 1 74 74 ASP N N 74 120.210 120.210 120.691 -0.481 18389 8571 1 10 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.553 0.601 18389 8572 1 10 . 1 1 74 74 ASP C C 74 173.653 173.653 174.703 -1.050 18389 8573 1 10 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.396 -2.500 18389 8574 1 10 . 1 1 74 74 ASP CB C 74 41.487 41.487 44.042 -2.555 18389 8575 1 10 . 1 1 74 74 ASP H H 74 8.993 8.993 8.818 0.175 18389 8576 1 10 . 1 1 75 75 ILE N N 75 121.051 121.051 125.381 -4.330 18389 8577 1 10 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.000 1.253 18389 8578 1 10 . 1 1 75 75 ILE C C 75 171.229 171.229 172.983 -1.754 18389 8579 1 10 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.782 -2.261 18389 8580 1 10 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.218 0.304 18389 8581 1 10 . 1 1 75 75 ILE H H 75 9.681 9.681 8.406 1.275 18389 8582 1 10 . 1 1 76 76 LYS N N 76 124.693 124.693 126.516 -1.823 18389 8583 1 10 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.969 -0.138 18389 8584 1 10 . 1 1 76 76 LYS C C 76 172.283 172.283 174.207 -1.924 18389 8585 1 10 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.598 -1.196 18389 8586 1 10 . 1 1 76 76 LYS CB C 76 32.722 32.722 34.595 -1.873 18389 8587 1 10 . 1 1 76 76 LYS H H 76 8.454 8.454 8.626 -0.172 18389 8588 1 10 . 1 1 77 77 SER N N 77 118.916 118.916 114.599 4.317 18389 8589 1 10 . 1 1 77 77 SER HA H 77 4.816 4.816 4.667 0.149 18389 8590 1 10 . 1 1 77 77 SER C C 77 172.741 172.741 174.581 -1.840 18389 8591 1 10 . 1 1 77 77 SER CA C 77 55.341 55.341 59.109 -3.768 18389 8592 1 10 . 1 1 77 77 SER CB C 77 61.792 61.792 63.914 -2.122 18389 8593 1 10 . 1 1 77 77 SER H H 77 9.236 9.236 8.575 0.661 18389 8594 1 10 . 1 1 78 78 VAL N N 78 120.723 120.723 120.353 0.370 18389 8595 1 10 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.438 -0.104 18389 8596 1 10 . 1 1 78 78 VAL C C 78 172.941 172.941 174.251 -1.310 18389 8597 1 10 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.388 -1.593 18389 8598 1 10 . 1 1 78 78 VAL CB C 78 30.268 30.268 34.013 -3.745 18389 8599 1 10 . 1 1 78 78 VAL H H 78 8.132 8.132 8.460 -0.328 18389 8600 1 10 . 1 1 79 79 ASP N N 79 119.240 119.240 119.999 -0.759 18389 8601 1 10 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.746 -0.005 18389 8602 1 10 . 1 1 79 79 ASP C C 79 174.199 174.199 177.124 -2.925 18389 8603 1 10 . 1 1 79 79 ASP CA C 79 51.112 51.112 53.126 -2.014 18389 8604 1 10 . 1 1 79 79 ASP CB C 79 39.073 39.073 41.658 -2.585 18389 8605 1 10 . 1 1 79 79 ASP H H 79 8.190 8.190 7.638 0.552 18389 8606 1 10 . 1 1 80 80 GLY N N 80 108.323 108.323 108.076 0.247 18389 8607 1 10 . 1 1 80 80 GLY C C 80 171.858 171.858 174.963 -3.105 18389 8608 1 10 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.293 -2.190 18389 8609 1 10 . 1 1 80 80 GLY H H 80 8.275 8.275 8.469 -0.194 18389 8610 1 10 . 1 1 81 81 SER N N 81 116.291 116.291 116.745 -0.454 18389 8611 1 10 . 1 1 81 81 SER HA H 81 4.588 4.588 4.394 0.194 18389 8612 1 10 . 1 1 81 81 SER C C 81 171.588 171.588 174.114 -2.526 18389 8613 1 10 . 1 1 81 81 SER CA C 81 55.552 55.552 59.354 -3.802 18389 8614 1 10 . 1 1 81 81 SER CB C 81 61.910 61.910 63.891 -1.981 18389 8615 1 10 . 1 1 81 81 SER H H 81 8.201 8.201 7.523 0.678 18389 8616 1 10 . 1 1 82 82 ALA N N 82 128.019 128.019 126.424 1.595 18389 8617 1 10 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.678 0.284 18389 8618 1 10 . 1 1 82 82 ALA C C 82 173.332 173.332 176.151 -2.819 18389 8619 1 10 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.528 -2.449 18389 8620 1 10 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.096 -2.526 18389 8621 1 10 . 1 1 82 82 ALA H H 82 8.613 8.613 8.613 0.000 18389 8622 1 10 . 1 1 83 83 ASN N N 83 119.651 119.651 118.156 1.495 18389 8623 1 10 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.628 0.434 18389 8624 1 10 . 1 1 83 83 ASN C C 83 170.848 170.848 175.216 -4.368 18389 8625 1 10 . 1 1 83 83 ASN CA C 83 50.760 50.760 53.428 -2.668 18389 8626 1 10 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.627 0.162 18389 8627 1 10 . 1 1 83 83 ASN H H 83 8.153 8.153 8.208 -0.055 18389 8628 1 10 . 1 1 84 84 GLU N N 84 127.150 127.150 120.432 6.718 18389 8629 1 10 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.366 0.346 18389 8630 1 10 . 1 1 84 84 GLU C C 84 171.647 171.647 175.292 -3.645 18389 8631 1 10 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.014 -1.242 18389 8632 1 10 . 1 1 84 84 GLU CB C 84 28.701 28.701 31.222 -2.521 18389 8633 1 10 . 1 1 84 84 GLU H H 84 8.122 8.122 8.334 -0.212 18389 8634 1 10 . 1 1 85 85 ILE N N 85 117.590 117.590 113.822 3.768 18389 8635 1 10 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.669 -0.036 18389 8636 1 10 . 1 1 85 85 ILE C C 85 171.902 171.902 173.696 -1.794 18389 8637 1 10 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.498 -1.467 18389 8638 1 10 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.921 -1.669 18389 8639 1 10 . 1 1 85 85 ILE H H 85 8.910 8.910 8.674 0.236 18389 8640 1 10 . 1 1 86 86 ARG N N 86 116.697 116.697 117.780 -1.083 18389 8641 1 10 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.361 0.035 18389 8642 1 10 . 1 1 86 86 ARG C C 86 171.787 171.787 175.316 -3.529 18389 8643 1 10 . 1 1 86 86 ARG CA C 86 53.115 53.115 53.014 0.101 18389 8644 1 10 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.724 -1.662 18389 8645 1 10 . 1 1 86 86 ARG H H 86 9.149 9.149 8.068 1.081 18389 8646 1 10 . 1 1 87 87 PHE N N 87 123.607 123.607 121.007 2.600 18389 8647 1 10 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.158 0.330 18389 8648 1 10 . 1 1 87 87 PHE CA C 87 53.817 53.817 57.313 -3.496 18389 8649 1 10 . 1 1 87 87 PHE CB C 87 40.112 40.112 42.673 -2.561 18389 8650 1 10 . 1 1 87 87 PHE H H 87 9.235 9.235 8.797 0.438 18389 8651 1 10 . 1 1 88 88 MET N N 88 129.893 129.893 122.293 7.600 18389 8652 1 10 . 1 1 88 88 MET HA H 88 5.836 5.836 5.672 0.164 18389 8653 1 10 . 1 1 88 88 MET C C 88 170.768 170.768 174.319 -3.551 18389 8654 1 10 . 1 1 88 88 MET CA C 88 51.118 51.118 54.461 -3.343 18389 8655 1 10 . 1 1 88 88 MET CB C 88 37.224 37.224 37.003 0.221 18389 8656 1 10 . 1 1 88 88 MET H H 88 8.868 8.868 9.193 -0.325 18389 8657 1 10 . 1 1 89 89 ILE N N 89 124.630 124.630 124.749 -0.119 18389 8658 1 10 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.050 -0.512 18389 8659 1 10 . 1 1 89 89 ILE C C 89 171.047 171.047 173.877 -2.830 18389 8660 1 10 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.745 -1.774 18389 8661 1 10 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.258 -3.338 18389 8662 1 10 . 1 1 89 89 ILE H H 89 9.258 9.258 9.327 -0.069 18389 8663 1 10 . 1 1 90 90 ALA N N 90 128.743 128.743 129.592 -0.849 18389 8664 1 10 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.069 0.597 18389 8665 1 10 . 1 1 90 90 ALA C C 90 176.041 176.041 175.983 0.058 18389 8666 1 10 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.991 -3.170 18389 8667 1 10 . 1 1 90 90 ALA CB C 90 18.331 18.331 20.636 -2.305 18389 8668 1 10 . 1 1 90 90 ALA H H 90 8.749 8.749 9.083 -0.334 18389 8669 1 10 . 1 1 91 91 GLU N N 91 121.616 121.616 125.873 -4.257 18389 8670 1 10 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.278 0.440 18389 8671 1 10 . 1 1 91 91 GLU C C 91 174.217 174.217 177.045 -2.828 18389 8672 1 10 . 1 1 91 91 GLU CA C 91 53.143 53.143 56.451 -3.308 18389 8673 1 10 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.543 -1.696 18389 8674 1 10 . 1 1 91 91 GLU H H 91 8.749 8.749 8.539 0.210 18389 8675 1 10 . 1 1 92 92 LYS N N 92 117.975 117.975 120.570 -2.595 18389 8676 1 10 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.975 -0.606 18389 8677 1 10 . 1 1 92 92 LYS C C 92 174.743 174.743 176.798 -2.055 18389 8678 1 10 . 1 1 92 92 LYS CA C 92 54.360 54.360 55.372 -1.012 18389 8679 1 10 . 1 1 92 92 LYS CB C 92 30.656 30.656 34.159 -3.503 18389 8680 1 10 . 1 1 92 92 LYS H H 92 8.014 8.014 7.782 0.232 18389 8681 1 10 . 1 1 93 93 SER N N 93 115.092 115.092 114.904 0.188 18389 8682 1 10 . 1 1 93 93 SER HA H 93 4.215 4.215 4.702 -0.487 18389 8683 1 10 . 1 1 93 93 SER C C 93 174.964 174.964 175.743 -0.779 18389 8684 1 10 . 1 1 93 93 SER CA C 93 53.874 53.874 57.972 -4.098 18389 8685 1 10 . 1 1 93 93 SER CB C 93 61.736 61.736 63.895 -2.159 18389 8686 1 10 . 1 1 93 93 SER H H 93 8.083 8.083 8.377 -0.294 18389 8687 1 10 . 1 1 94 94 ILE N N 94 121.880 121.880 120.595 1.285 18389 8688 1 10 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.566 -0.180 18389 8689 1 10 . 1 1 94 94 ILE C C 94 174.020 174.020 176.594 -2.574 18389 8690 1 10 . 1 1 94 94 ILE CA C 94 60.345 60.345 61.441 -1.096 18389 8691 1 10 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.757 -2.756 18389 8692 1 10 . 1 1 94 94 ILE H H 94 9.150 9.150 8.588 0.562 18389 8693 1 10 . 1 1 95 95 ASN N N 95 117.349 117.349 119.628 -2.279 18389 8694 1 10 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.776 0.279 18389 8695 1 10 . 1 1 95 95 ASN C C 95 173.659 173.659 175.787 -2.128 18389 8696 1 10 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.442 -4.055 18389 8697 1 10 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.223 -2.557 18389 8698 1 10 . 1 1 95 95 ASN H H 95 8.163 8.163 7.988 0.175 18389 8699 1 10 . 1 1 96 96 GLY N N 96 106.957 106.957 108.908 -1.951 18389 8700 1 10 . 1 1 96 96 GLY C C 96 170.704 170.704 173.659 -2.955 18389 8701 1 10 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.690 -2.371 18389 8702 1 10 . 1 1 96 96 GLY H H 96 7.530 7.530 8.372 -0.842 18389 8703 1 10 . 1 1 97 97 VAL N N 97 119.393 119.393 121.014 -1.621 18389 8704 1 10 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.220 0.134 18389 8705 1 10 . 1 1 97 97 VAL C C 97 173.622 173.622 175.903 -2.281 18389 8706 1 10 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.458 -2.316 18389 8707 1 10 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.405 -2.634 18389 8708 1 10 . 1 1 97 97 VAL H H 97 7.650 7.650 7.449 0.201 18389 8709 1 10 . 1 1 98 98 GLY N N 98 115.075 115.075 116.890 -1.815 18389 8710 1 10 . 1 1 98 98 GLY C C 98 170.065 170.065 173.748 -3.683 18389 8711 1 10 . 1 1 98 98 GLY CA C 98 42.739 42.739 46.543 -3.804 18389 8712 1 10 . 1 1 98 98 GLY H H 98 8.712 8.712 8.806 -0.094 18389 8713 1 10 . 1 1 99 99 ASP N N 99 119.064 119.064 122.660 -3.596 18389 8714 1 10 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.800 -0.125 18389 8715 1 10 . 1 1 99 99 ASP C C 99 172.502 172.502 175.208 -2.706 18389 8716 1 10 . 1 1 99 99 ASP CA C 99 50.581 50.581 54.096 -3.515 18389 8717 1 10 . 1 1 99 99 ASP CB C 99 39.195 39.195 42.841 -3.646 18389 8718 1 10 . 1 1 99 99 ASP H H 99 8.746 8.746 8.552 0.194 18389 8719 1 10 . 1 1 100 100 GLY N N 100 109.333 109.333 105.771 3.562 18389 8720 1 10 . 1 1 100 100 GLY C C 100 167.638 167.638 172.791 -5.153 18389 8721 1 10 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.624 -4.515 18389 8722 1 10 . 1 1 100 100 GLY H H 100 8.285 8.285 7.677 0.608 18389 8723 1 10 . 1 1 101 101 GLU N N 101 120.835 120.835 121.468 -0.633 18389 8724 1 10 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.360 0.367 18389 8725 1 10 . 1 1 101 101 GLU C C 101 173.652 173.652 176.025 -2.373 18389 8726 1 10 . 1 1 101 101 GLU CA C 101 55.449 55.449 56.534 -1.085 18389 8727 1 10 . 1 1 101 101 GLU CB C 101 31.014 31.014 30.582 0.432 18389 8728 1 10 . 1 1 101 101 GLU H H 101 8.339 8.339 8.623 -0.284 18389 8729 1 10 . 1 1 102 102 HIS N N 102 126.597 126.597 126.992 -0.395 18389 8730 1 10 . 1 1 102 102 HIS HA H 102 5.406 5.406 4.859 0.547 18389 8731 1 10 . 1 1 102 102 HIS C C 102 174.479 174.479 173.829 0.650 18389 8732 1 10 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.782 -1.870 18389 8733 1 10 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.236 2.520 18389 8734 1 10 . 1 1 102 102 HIS H H 102 10.029 10.029 8.610 1.419 18389 8735 1 10 . 1 1 103 103 TRP N N 103 125.616 125.616 126.298 -0.682 18389 8736 1 10 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.312 -0.281 18389 8737 1 10 . 1 1 103 103 TRP C C 103 173.236 173.236 174.896 -1.660 18389 8738 1 10 . 1 1 103 103 TRP CA C 103 54.833 54.833 55.780 -0.947 18389 8739 1 10 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.373 -3.183 18389 8740 1 10 . 1 1 103 103 TRP H H 103 9.242 9.242 8.951 0.291 18389 8741 1 10 . 1 1 104 104 VAL N N 104 114.086 114.086 116.453 -2.367 18389 8742 1 10 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.570 0.563 18389 8743 1 10 . 1 1 104 104 VAL C C 104 173.194 173.194 173.496 -0.302 18389 8744 1 10 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.466 -2.137 18389 8745 1 10 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.852 -0.409 18389 8746 1 10 . 1 1 104 104 VAL H H 104 10.273 10.273 9.366 0.907 18389 8747 1 10 . 1 1 105 105 TYR N N 105 123.278 123.278 124.269 -0.991 18389 8748 1 10 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.909 -0.249 18389 8749 1 10 . 1 1 105 105 TYR C C 105 172.030 172.030 173.782 -1.752 18389 8750 1 10 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.284 0.438 18389 8751 1 10 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.755 -0.782 18389 8752 1 10 . 1 1 105 105 TYR H H 105 9.219 9.219 8.843 0.376 18389 8753 1 10 . 1 1 106 106 SER N N 106 123.619 123.619 121.621 1.998 18389 8754 1 10 . 1 1 106 106 SER HA H 106 5.226 5.226 4.736 0.490 18389 8755 1 10 . 1 1 106 106 SER C C 106 170.291 170.291 172.718 -2.427 18389 8756 1 10 . 1 1 106 106 SER CA C 106 56.800 56.800 57.469 -0.670 18389 8757 1 10 . 1 1 106 106 SER CB C 106 61.265 61.265 63.985 -2.720 18389 8758 1 10 . 1 1 106 106 SER H H 106 7.768 7.768 8.259 -0.491 18389 8759 1 10 . 1 1 107 107 ILE N N 107 120.192 120.192 124.116 -3.924 18389 8760 1 10 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.268 0.491 18389 8761 1 10 . 1 1 107 107 ILE C C 107 171.471 171.471 173.008 -1.537 18389 8762 1 10 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.763 -3.752 18389 8763 1 10 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.464 -1.705 18389 8764 1 10 . 1 1 107 107 ILE H H 107 8.942 8.942 8.722 0.220 18389 8765 1 10 . 1 1 108 108 THR N N 108 118.723 118.723 116.360 2.363 18389 8766 1 10 . 1 1 108 108 THR HA H 108 5.017 5.017 4.862 0.155 18389 8767 1 10 . 1 1 108 108 THR C C 108 170.359 170.359 172.970 -2.611 18389 8768 1 10 . 1 1 108 108 THR CA C 108 56.686 56.686 58.522 -1.836 18389 8769 1 10 . 1 1 108 108 THR CB C 108 67.488 67.488 69.902 -2.414 18389 8770 1 10 . 1 1 108 108 THR H H 108 8.718 8.718 8.284 0.434 18389 8771 1 10 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.665 -0.255 18389 8772 1 10 . 1 1 109 109 PRO C C 109 171.443 171.443 175.446 -4.003 18389 8773 1 10 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.707 -2.883 18389 8774 1 10 . 1 1 109 109 PRO CB C 109 29.978 29.978 32.872 -2.894 18389 8775 1 10 . 1 1 110 110 ASP N N 110 122.785 122.785 117.092 5.693 18389 8776 1 10 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.942 0.206 18389 8777 1 10 . 1 1 110 110 ASP C C 110 174.113 174.113 176.662 -2.549 18389 8778 1 10 . 1 1 110 110 ASP CA C 110 50.056 50.056 52.885 -2.829 18389 8779 1 10 . 1 1 110 110 ASP CB C 110 40.689 40.689 42.869 -2.180 18389 8780 1 10 . 1 1 110 110 ASP H H 110 9.061 9.061 8.178 0.883 18389 8781 1 10 . 1 1 111 111 SER N N 111 112.595 112.595 113.429 -0.834 18389 8782 1 10 . 1 1 111 111 SER HA H 111 4.432 4.432 4.573 -0.141 18389 8783 1 10 . 1 1 111 111 SER CA C 111 58.333 58.333 58.863 -0.530 18389 8784 1 10 . 1 1 111 111 SER CB C 111 61.046 61.046 64.401 -3.355 18389 8785 1 10 . 1 1 111 111 SER H H 111 8.435 8.435 8.427 0.008 18389 8786 1 10 . 1 1 112 112 SER N N 112 116.615 116.615 118.287 -1.672 18389 8787 1 10 . 1 1 112 112 SER HA H 112 4.862 4.862 4.609 0.253 18389 8788 1 10 . 1 1 112 112 SER C C 112 170.519 170.519 173.664 -3.145 18389 8789 1 10 . 1 1 112 112 SER CA C 112 54.017 54.017 57.972 -3.955 18389 8790 1 10 . 1 1 112 112 SER CB C 112 62.948 62.948 64.979 -2.031 18389 8791 1 10 . 1 1 112 112 SER H H 112 8.035 8.035 8.161 -0.126 18389 8792 1 10 . 1 1 113 113 TRP N N 113 120.576 120.576 125.558 -4.982 18389 8793 1 10 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.521 0.033 18389 8794 1 10 . 1 1 113 113 TRP C C 113 174.599 174.599 175.551 -0.952 18389 8795 1 10 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.641 -0.759 18389 8796 1 10 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.451 -2.091 18389 8797 1 10 . 1 1 113 113 TRP H H 113 8.318 8.318 8.491 -0.173 18389 8798 1 10 . 1 1 114 114 LYS N N 114 123.372 123.372 128.345 -4.973 18389 8799 1 10 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.556 0.338 18389 8800 1 10 . 1 1 114 114 LYS C C 114 172.772 172.772 174.517 -1.745 18389 8801 1 10 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.319 -2.370 18389 8802 1 10 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.556 -1.306 18389 8803 1 10 . 1 1 114 114 LYS H H 114 8.782 8.782 8.919 -0.137 18389 8804 1 10 . 1 1 115 115 THR N N 115 120.929 120.929 121.420 -0.491 18389 8805 1 10 . 1 1 115 115 THR HA H 115 5.226 5.226 4.811 0.415 18389 8806 1 10 . 1 1 115 115 THR C C 115 171.778 171.778 174.720 -2.942 18389 8807 1 10 . 1 1 115 115 THR CA C 115 59.671 59.671 63.195 -3.524 18389 8808 1 10 . 1 1 115 115 THR CB C 115 66.938 66.938 69.230 -2.292 18389 8809 1 10 . 1 1 115 115 THR H H 115 8.689 8.689 8.352 0.337 18389 8810 1 10 . 1 1 116 116 ILE N N 116 131.929 131.929 129.096 2.833 18389 8811 1 10 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.262 -0.078 18389 8812 1 10 . 1 1 116 116 ILE C C 116 171.012 171.012 174.521 -3.509 18389 8813 1 10 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.164 -3.807 18389 8814 1 10 . 1 1 116 116 ILE CB C 116 34.331 34.331 38.295 -3.964 18389 8815 1 10 . 1 1 116 116 ILE H H 116 9.470 9.470 9.086 0.384 18389 8816 1 10 . 1 1 117 117 GLU N N 117 124.514 124.514 127.860 -3.346 18389 8817 1 10 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.300 0.570 18389 8818 1 10 . 1 1 117 117 GLU C C 117 173.332 173.332 176.053 -2.721 18389 8819 1 10 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.249 -4.451 18389 8820 1 10 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.801 -0.108 18389 8821 1 10 . 1 1 117 117 GLU H H 117 8.089 8.089 8.483 -0.394 18389 8822 1 10 . 1 1 118 118 ILE N N 118 125.005 125.005 125.844 -0.839 18389 8823 1 10 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.278 0.145 18389 8824 1 10 . 1 1 118 118 ILE C C 118 171.765 171.765 174.014 -2.249 18389 8825 1 10 . 1 1 118 118 ILE CA C 118 55.640 55.640 56.529 -0.889 18389 8826 1 10 . 1 1 118 118 ILE CB C 118 37.429 37.429 37.056 0.373 18389 8827 1 10 . 1 1 118 118 ILE H H 118 9.322 9.322 7.906 1.416 18389 8828 1 10 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.475 0.362 18389 8829 1 10 . 1 1 119 119 PRO C C 119 176.780 176.780 177.968 -1.188 18389 8830 1 10 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.837 -2.433 18389 8831 1 10 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.569 -3.504 18389 8832 1 10 . 1 1 120 120 PHE N N 120 124.627 124.627 119.582 5.045 18389 8833 1 10 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.353 0.641 18389 8834 1 10 . 1 1 120 120 PHE C C 120 175.402 175.402 176.323 -0.921 18389 8835 1 10 . 1 1 120 120 PHE CA C 120 59.272 59.272 59.548 -0.277 18389 8836 1 10 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.806 -2.561 18389 8837 1 10 . 1 1 120 120 PHE H H 120 8.160 8.160 7.920 0.240 18389 8838 1 10 . 1 1 121 121 SER N N 121 110.551 110.551 111.993 -1.442 18389 8839 1 10 . 1 1 121 121 SER HA H 121 4.647 4.647 4.356 0.291 18389 8840 1 10 . 1 1 121 121 SER C C 121 173.187 173.187 175.239 -2.052 18389 8841 1 10 . 1 1 121 121 SER CA C 121 57.359 57.359 59.370 -2.011 18389 8842 1 10 . 1 1 121 121 SER CB C 121 60.639 60.639 63.736 -3.098 18389 8843 1 10 . 1 1 121 121 SER H H 121 8.367 8.367 8.356 0.011 18389 8844 1 10 . 1 1 122 122 SER N N 122 117.166 117.166 116.581 0.585 18389 8845 1 10 . 1 1 122 122 SER HA H 122 4.946 4.946 4.493 0.453 18389 8846 1 10 . 1 1 122 122 SER C C 122 172.296 172.296 174.140 -1.844 18389 8847 1 10 . 1 1 122 122 SER CA C 122 57.525 57.525 58.697 -1.171 18389 8848 1 10 . 1 1 122 122 SER CB C 122 61.716 61.716 63.836 -2.120 18389 8849 1 10 . 1 1 122 122 SER H H 122 8.537 8.537 7.613 0.924 18389 8850 1 10 . 1 1 123 123 PHE N N 123 119.840 119.840 119.834 0.006 18389 8851 1 10 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.794 -0.147 18389 8852 1 10 . 1 1 123 123 PHE C C 123 173.527 173.527 175.741 -2.214 18389 8853 1 10 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.568 -0.790 18389 8854 1 10 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.168 -1.621 18389 8855 1 10 . 1 1 123 123 PHE H H 123 7.807 7.807 7.650 0.157 18389 8856 1 10 . 1 1 124 124 ARG N N 124 120.098 120.098 119.785 0.313 18389 8857 1 10 . 1 1 124 124 ARG HA H 124 5.341 5.341 4.955 0.386 18389 8858 1 10 . 1 1 124 124 ARG C C 124 172.631 172.631 174.732 -2.101 18389 8859 1 10 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.412 -3.087 18389 8860 1 10 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.190 -2.469 18389 8861 1 10 . 1 1 124 124 ARG H H 124 9.297 9.297 9.450 -0.153 18389 8862 1 10 . 1 1 125 125 ARG N N 125 126.739 126.739 121.098 5.641 18389 8863 1 10 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.554 -1.592 18389 8864 1 10 . 1 1 125 125 ARG C C 125 174.319 174.319 176.122 -1.803 18389 8865 1 10 . 1 1 125 125 ARG CA C 125 55.036 55.036 54.547 0.489 18389 8866 1 10 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.569 -3.221 18389 8867 1 10 . 1 1 125 125 ARG H H 125 8.611 8.611 8.228 0.383 18389 8868 1 10 . 1 1 126 126 ARG N N 126 126.556 126.556 123.248 3.308 18389 8869 1 10 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.459 -0.495 18389 8870 1 10 . 1 1 126 126 ARG C C 126 174.021 174.021 175.776 -1.755 18389 8871 1 10 . 1 1 126 126 ARG CA C 126 55.538 55.538 54.179 1.359 18389 8872 1 10 . 1 1 126 126 ARG CB C 126 29.739 29.739 29.365 0.374 18389 8873 1 10 . 1 1 126 126 ARG H H 126 7.917 7.917 8.109 -0.192 18389 8874 1 10 . 1 1 127 127 LEU N N 127 124.550 124.550 125.714 -1.164 18389 8875 1 10 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.182 0.472 18389 8876 1 10 . 1 1 127 127 LEU C C 127 175.775 175.775 176.936 -1.161 18389 8877 1 10 . 1 1 127 127 LEU CA C 127 53.208 53.208 56.919 -3.712 18389 8878 1 10 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.091 -0.713 18389 8879 1 10 . 1 1 127 127 LEU H H 127 8.817 8.817 8.333 0.484 18389 8880 1 10 . 1 1 128 128 ASP N N 128 116.209 116.209 117.355 -1.146 18389 8881 1 10 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.429 0.120 18389 8882 1 10 . 1 1 128 128 ASP C C 128 172.491 172.491 176.583 -4.092 18389 8883 1 10 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.538 -3.046 18389 8884 1 10 . 1 1 128 128 ASP CB C 128 36.582 36.582 39.665 -3.083 18389 8885 1 10 . 1 1 128 128 ASP H H 128 9.072 9.072 8.725 0.347 18389 8886 1 10 . 1 1 129 129 TYR N N 129 119.329 119.329 119.822 -0.493 18389 8887 1 10 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.667 -0.314 18389 8888 1 10 . 1 1 129 129 TYR C C 129 169.992 169.992 174.957 -4.965 18389 8889 1 10 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.607 -1.262 18389 8890 1 10 . 1 1 129 129 TYR CB C 129 38.447 38.447 39.532 -1.085 18389 8891 1 10 . 1 1 129 129 TYR H H 129 7.002 7.002 7.585 -0.583 18389 8892 1 10 . 1 1 130 130 GLN N N 130 121.469 121.469 121.347 0.122 18389 8893 1 10 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.526 -0.617 18389 8894 1 10 . 1 1 130 130 GLN C C 130 170.223 170.223 173.723 -3.500 18389 8895 1 10 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.802 -3.013 18389 8896 1 10 . 1 1 130 130 GLN CB C 130 29.625 29.625 29.733 -0.108 18389 8897 1 10 . 1 1 130 130 GLN H H 130 6.288 6.288 7.528 -1.240 18389 8898 1 10 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.406 0.004 18389 8899 1 10 . 1 1 132 132 PRO C C 132 175.720 175.720 177.907 -2.187 18389 8900 1 10 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.590 -1.517 18389 8901 1 10 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.153 -3.038 18389 8902 1 10 . 1 1 133 133 GLY N N 133 104.558 104.558 108.802 -4.244 18389 8903 1 10 . 1 1 133 133 GLY C C 133 171.229 171.229 173.433 -2.204 18389 8904 1 10 . 1 1 133 133 GLY CA C 133 42.515 42.515 45.114 -2.599 18389 8905 1 10 . 1 1 133 133 GLY H H 133 8.298 8.298 8.313 -0.015 18389 8906 1 10 . 1 1 134 134 GLN N N 134 116.684 116.684 117.699 -1.015 18389 8907 1 10 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.574 -0.207 18389 8908 1 10 . 1 1 134 134 GLN C C 134 172.815 172.815 174.229 -1.414 18389 8909 1 10 . 1 1 134 134 GLN CA C 134 53.804 53.804 53.757 0.048 18389 8910 1 10 . 1 1 134 134 GLN CB C 134 24.866 24.866 32.191 -7.325 18389 8911 1 10 . 1 1 134 134 GLN H H 134 7.273 7.273 7.728 -0.455 18389 8912 1 10 . 1 1 135 135 ASP N N 135 118.688 118.688 121.668 -2.980 18389 8913 1 10 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.579 -0.217 18389 8914 1 10 . 1 1 135 135 ASP C C 135 174.301 174.301 176.379 -2.078 18389 8915 1 10 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.969 -3.159 18389 8916 1 10 . 1 1 135 135 ASP CB C 135 36.904 36.904 40.440 -3.536 18389 8917 1 10 . 1 1 135 135 ASP H H 135 8.844 8.844 8.759 0.085 18389 8918 1 10 . 1 1 136 136 MET N N 136 114.721 114.721 126.037 -11.316 18389 8919 1 10 . 1 1 136 136 MET HA H 136 4.035 4.035 4.681 -0.646 18389 8920 1 10 . 1 1 136 136 MET C C 136 174.252 174.252 176.356 -2.104 18389 8921 1 10 . 1 1 136 136 MET CA C 136 54.461 54.461 54.404 0.057 18389 8922 1 10 . 1 1 136 136 MET CB C 136 29.439 29.439 32.271 -2.832 18389 8923 1 10 . 1 1 136 136 MET H H 136 7.585 7.585 8.289 -0.704 18389 8924 1 10 . 1 1 137 137 SER N N 137 118.130 118.130 115.505 2.625 18389 8925 1 10 . 1 1 137 137 SER HA H 137 4.392 4.392 4.362 0.030 18389 8926 1 10 . 1 1 137 137 SER C C 137 174.811 174.811 176.372 -1.561 18389 8927 1 10 . 1 1 137 137 SER CA C 137 57.841 57.841 59.530 -1.689 18389 8928 1 10 . 1 1 137 137 SER CB C 137 62.369 62.369 64.075 -1.706 18389 8929 1 10 . 1 1 137 137 SER H H 137 9.140 9.140 8.328 0.812 18389 8930 1 10 . 1 1 138 138 GLY N N 138 114.534 114.534 112.572 1.962 18389 8931 1 10 . 1 1 138 138 GLY C C 138 170.903 170.903 174.207 -3.304 18389 8932 1 10 . 1 1 138 138 GLY CA C 138 44.197 44.197 46.141 -1.944 18389 8933 1 10 . 1 1 138 138 GLY H H 138 10.549 10.549 8.575 1.974 18389 8934 1 10 . 1 1 139 139 THR N N 139 112.564 112.564 115.981 -3.417 18389 8935 1 10 . 1 1 139 139 THR HA H 139 4.538 4.538 4.719 -0.181 18389 8936 1 10 . 1 1 139 139 THR C C 139 168.086 168.086 173.208 -5.122 18389 8937 1 10 . 1 1 139 139 THR CA C 139 57.132 57.132 61.292 -4.160 18389 8938 1 10 . 1 1 139 139 THR CB C 139 68.854 68.854 71.337 -2.483 18389 8939 1 10 . 1 1 139 139 THR H H 139 8.504 8.504 8.115 0.389 18389 8940 1 10 . 1 1 140 140 LEU N N 140 129.971 129.971 128.178 1.793 18389 8941 1 10 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.037 -0.266 18389 8942 1 10 . 1 1 140 140 LEU C C 140 172.175 172.175 175.521 -3.346 18389 8943 1 10 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.787 -2.452 18389 8944 1 10 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.253 -5.381 18389 8945 1 10 . 1 1 140 140 LEU H H 140 7.900 7.900 8.067 -0.167 18389 8946 1 10 . 1 1 141 141 ASP N N 141 132.200 132.200 129.495 2.705 18389 8947 1 10 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.663 0.041 18389 8948 1 10 . 1 1 141 141 ASP C C 141 172.137 172.137 175.516 -3.379 18389 8949 1 10 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.345 -1.653 18389 8950 1 10 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.740 -3.179 18389 8951 1 10 . 1 1 141 141 ASP H H 141 9.101 9.101 9.346 -0.245 18389 8952 1 10 . 1 1 142 142 LEU N N 142 122.667 122.667 127.165 -4.498 18389 8953 1 10 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.859 -0.119 18389 8954 1 10 . 1 1 142 142 LEU CA C 142 53.747 53.747 53.531 0.216 18389 8955 1 10 . 1 1 142 142 LEU CB C 142 39.898 39.898 38.530 1.368 18389 8956 1 10 . 1 1 142 142 LEU H H 142 7.799 7.799 8.579 -0.780 18389 8957 1 10 . 1 1 143 143 ASP N N 143 112.789 112.789 119.306 -6.517 18389 8958 1 10 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.678 0.238 18389 8959 1 10 . 1 1 143 143 ASP C C 143 173.547 173.547 175.611 -2.064 18389 8960 1 10 . 1 1 143 143 ASP CA C 143 51.101 51.101 55.354 -4.253 18389 8961 1 10 . 1 1 143 143 ASP CB C 143 37.298 37.298 43.881 -6.583 18389 8962 1 10 . 1 1 143 143 ASP H H 143 8.473 8.473 8.164 0.309 18389 8963 1 10 . 1 1 144 144 ASN N N 144 120.743 120.743 115.553 5.190 18389 8964 1 10 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.768 0.311 18389 8965 1 10 . 1 1 144 144 ASN C C 144 171.278 171.278 173.303 -2.025 18389 8966 1 10 . 1 1 144 144 ASN CA C 144 49.474 49.474 51.912 -2.438 18389 8967 1 10 . 1 1 144 144 ASN CB C 144 38.179 38.179 38.806 -0.627 18389 8968 1 10 . 1 1 144 144 ASN H H 144 7.867 7.867 7.498 0.369 18389 8969 1 10 . 1 1 145 145 ILE N N 145 122.844 122.844 121.145 1.699 18389 8970 1 10 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.160 -0.320 18389 8971 1 10 . 1 1 145 145 ILE C C 145 172.420 172.420 176.113 -3.693 18389 8972 1 10 . 1 1 145 145 ILE CA C 145 57.861 57.861 60.789 -2.928 18389 8973 1 10 . 1 1 145 145 ILE CB C 145 33.407 33.407 36.611 -3.204 18389 8974 1 10 . 1 1 145 145 ILE H H 145 8.770 8.770 7.375 1.395 18389 8975 1 10 . 1 1 146 146 ASP N N 146 125.428 125.428 127.736 -2.308 18389 8976 1 10 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.709 -0.056 18389 8977 1 10 . 1 1 146 146 ASP C C 146 172.931 172.931 175.701 -2.770 18389 8978 1 10 . 1 1 146 146 ASP CA C 146 53.352 53.352 56.169 -2.817 18389 8979 1 10 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.653 0.259 18389 8980 1 10 . 1 1 146 146 ASP H H 146 9.355 9.355 9.110 0.245 18389 8981 1 10 . 1 1 147 147 SER N N 147 108.442 108.442 110.777 -2.335 18389 8982 1 10 . 1 1 147 147 SER HA H 147 5.054 5.054 5.378 -0.324 18389 8983 1 10 . 1 1 147 147 SER C C 147 169.957 169.957 172.650 -2.693 18389 8984 1 10 . 1 1 147 147 SER CA C 147 54.584 54.584 57.368 -2.784 18389 8985 1 10 . 1 1 147 147 SER CB C 147 62.518 62.518 66.753 -4.235 18389 8986 1 10 . 1 1 147 147 SER H H 147 7.927 7.927 7.655 0.272 18389 8987 1 10 . 1 1 148 148 ILE N N 148 110.150 110.150 114.667 -4.517 18389 8988 1 10 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.292 0.357 18389 8989 1 10 . 1 1 148 148 ILE C C 148 171.932 171.932 173.762 -1.830 18389 8990 1 10 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.396 -2.774 18389 8991 1 10 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.589 -2.876 18389 8992 1 10 . 1 1 148 148 ILE H H 148 8.043 8.043 8.943 -0.900 18389 8993 1 10 . 1 1 149 149 HIS N N 149 118.612 118.612 121.719 -3.107 18389 8994 1 10 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.085 1.405 18389 8995 1 10 . 1 1 149 149 HIS C C 149 174.287 174.287 173.960 0.327 18389 8996 1 10 . 1 1 149 149 HIS CA C 149 51.902 51.902 55.243 -3.341 18389 8997 1 10 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.300 -1.341 18389 8998 1 10 . 1 1 149 149 HIS H H 149 9.331 9.331 8.840 0.491 18389 8999 1 10 . 1 1 150 150 PHE N N 150 117.037 117.037 120.610 -3.573 18389 9000 1 10 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.843 0.687 18389 9001 1 10 . 1 1 150 150 PHE C C 150 172.808 172.808 175.670 -2.862 18389 9002 1 10 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.428 -0.925 18389 9003 1 10 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.949 -1.669 18389 9004 1 10 . 1 1 150 150 PHE H H 150 8.788 8.788 8.175 0.613 18389 9005 1 10 . 1 1 151 151 MET N N 151 119.781 119.781 117.539 2.242 18389 9006 1 10 . 1 1 151 151 MET HA H 151 4.664 4.664 3.808 0.856 18389 9007 1 10 . 1 1 151 151 MET C C 151 170.282 170.282 173.481 -3.199 18389 9008 1 10 . 1 1 151 151 MET CA C 151 52.146 52.146 54.056 -1.911 18389 9009 1 10 . 1 1 151 151 MET CB C 151 34.947 34.947 35.279 -0.332 18389 9010 1 10 . 1 1 151 151 MET H H 151 9.761 9.761 8.617 1.144 18389 9011 1 10 . 1 1 152 152 TYR N N 152 117.149 117.149 119.366 -2.217 18389 9012 1 10 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.807 -0.731 18389 9013 1 10 . 1 1 152 152 TYR C C 152 171.554 171.554 175.417 -3.863 18389 9014 1 10 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.002 -0.657 18389 9015 1 10 . 1 1 152 152 TYR CB C 152 36.904 36.904 36.087 0.818 18389 9016 1 10 . 1 1 152 152 TYR H H 152 6.275 6.275 8.094 -1.819 18389 9017 1 10 . 1 1 153 153 ALA N N 153 121.523 121.523 123.386 -1.863 18389 9018 1 10 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.221 -0.058 18389 9019 1 10 . 1 1 153 153 ALA C C 153 173.777 173.777 176.741 -2.964 18389 9020 1 10 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.903 -3.718 18389 9021 1 10 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.083 0.882 18389 9022 1 10 . 1 1 153 153 ALA H H 153 10.019 10.019 8.141 1.878 18389 9023 1 10 . 1 1 154 154 ASN N N 154 114.643 114.643 114.887 -0.244 18389 9024 1 10 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.787 0.397 18389 9025 1 10 . 1 1 154 154 ASN C C 154 173.267 173.267 173.906 -0.639 18389 9026 1 10 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.790 -2.875 18389 9027 1 10 . 1 1 154 154 ASN CB C 154 36.713 36.713 41.000 -4.287 18389 9028 1 10 . 1 1 154 154 ASN H H 154 8.141 8.141 7.934 0.207 18389 9029 1 10 . 1 1 156 156 LYS N N 156 119.099 119.099 118.719 0.380 18389 9030 1 10 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.617 0.121 18389 9031 1 10 . 1 1 156 156 LYS C C 156 173.965 173.965 174.997 -1.032 18389 9032 1 10 . 1 1 156 156 LYS CA C 156 53.872 53.872 54.943 -1.071 18389 9033 1 10 . 1 1 156 156 LYS CB C 156 30.426 30.426 36.563 -6.137 18389 9034 1 10 . 1 1 156 156 LYS H H 156 8.298 8.298 7.823 0.475 18389 9035 1 10 . 1 1 157 157 SER N N 157 115.584 115.584 114.800 0.784 18389 9036 1 10 . 1 1 157 157 SER HA H 157 5.055 5.055 4.725 0.330 18389 9037 1 10 . 1 1 157 157 SER C C 157 169.925 169.925 174.442 -4.517 18389 9038 1 10 . 1 1 157 157 SER CA C 157 55.617 55.617 57.869 -2.252 18389 9039 1 10 . 1 1 157 157 SER CB C 157 63.180 63.180 64.573 -1.393 18389 9040 1 10 . 1 1 157 157 SER H H 157 8.240 8.240 8.364 -0.124 18389 9041 1 10 . 1 1 158 158 GLY N N 158 108.219 108.219 108.465 -0.246 18389 9042 1 10 . 1 1 158 158 GLY C C 158 168.322 168.322 171.483 -3.161 18389 9043 1 10 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.410 -1.845 18389 9044 1 10 . 1 1 158 158 GLY H H 158 6.942 6.942 8.361 -1.419 18389 9045 1 10 . 1 1 159 159 LYS N N 159 116.608 116.608 120.366 -3.758 18389 9046 1 10 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.413 0.108 18389 9047 1 10 . 1 1 159 159 LYS C C 159 172.966 172.966 174.800 -1.834 18389 9048 1 10 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.664 -1.523 18389 9049 1 10 . 1 1 159 159 LYS CB C 159 34.705 34.705 35.527 -0.822 18389 9050 1 10 . 1 1 159 159 LYS H H 159 7.925 7.925 8.390 -0.465 18389 9051 1 10 . 1 1 160 160 PHE N N 160 121.804 121.804 120.417 1.387 18389 9052 1 10 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.048 0.477 18389 9053 1 10 . 1 1 160 160 PHE C C 160 168.125 168.125 173.846 -5.721 18389 9054 1 10 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.871 -3.556 18389 9055 1 10 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.600 -4.549 18389 9056 1 10 . 1 1 160 160 PHE H H 160 8.834 8.834 9.237 -0.403 18389 9057 1 10 . 1 1 161 161 VAL N N 161 119.787 119.787 117.701 2.086 18389 9058 1 10 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.428 -0.050 18389 9059 1 10 . 1 1 161 161 VAL C C 161 170.736 170.736 174.951 -4.215 18389 9060 1 10 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.596 -2.940 18389 9061 1 10 . 1 1 161 161 VAL CB C 161 31.937 31.937 33.754 -1.817 18389 9062 1 10 . 1 1 161 161 VAL H H 161 9.277 9.277 9.237 0.040 18389 9063 1 10 . 1 1 162 162 VAL N N 162 121.357 121.357 116.870 4.487 18389 9064 1 10 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.304 0.663 18389 9065 1 10 . 1 1 162 162 VAL C C 162 170.928 170.928 174.398 -3.470 18389 9066 1 10 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.199 -3.513 18389 9067 1 10 . 1 1 162 162 VAL CB C 162 33.842 33.842 36.034 -2.192 18389 9068 1 10 . 1 1 162 162 VAL H H 162 8.453 8.453 9.015 -0.562 18389 9069 1 10 . 1 1 163 163 ASP N N 163 119.088 119.088 122.147 -3.059 18389 9070 1 10 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.566 0.013 18389 9071 1 10 . 1 1 163 163 ASP C C 163 172.563 172.563 175.159 -2.596 18389 9072 1 10 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.287 -2.805 18389 9073 1 10 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.567 -3.104 18389 9074 1 10 . 1 1 163 163 ASP H H 163 9.233 9.233 8.380 0.853 18389 9075 1 10 . 1 1 164 164 ASN N N 164 117.316 117.316 116.249 1.067 18389 9076 1 10 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.518 0.131 18389 9077 1 10 . 1 1 164 164 ASN C C 164 170.940 170.940 174.070 -3.130 18389 9078 1 10 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.823 -2.151 18389 9079 1 10 . 1 1 164 164 ASN CB C 164 35.395 35.395 38.392 -2.997 18389 9080 1 10 . 1 1 164 164 ASN H H 164 9.864 9.864 9.027 0.837 18389 9081 1 10 . 1 1 165 165 ILE N N 165 118.660 118.660 120.894 -2.234 18389 9082 1 10 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.690 0.749 18389 9083 1 10 . 1 1 165 165 ILE C C 165 173.336 173.336 174.143 -0.807 18389 9084 1 10 . 1 1 165 165 ILE CA C 165 59.155 59.155 60.537 -1.382 18389 9085 1 10 . 1 1 165 165 ILE CB C 165 35.187 35.187 40.181 -4.994 18389 9086 1 10 . 1 1 165 165 ILE H H 165 8.716 8.716 8.714 0.002 18389 9087 1 10 . 1 1 166 166 LYS N N 166 127.896 127.896 124.062 3.834 18389 9088 1 10 . 1 1 166 166 LYS HA H 166 5.178 5.178 4.903 0.275 18389 9089 1 10 . 1 1 166 166 LYS C C 166 170.453 170.453 174.025 -3.572 18389 9090 1 10 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.231 -1.707 18389 9091 1 10 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.732 -1.486 18389 9092 1 10 . 1 1 166 166 LYS H H 166 9.921 9.921 8.764 1.157 18389 9093 1 10 . 1 1 167 167 LEU N N 167 120.747 120.747 120.763 -0.016 18389 9094 1 10 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.891 -0.055 18389 9095 1 10 . 1 1 167 167 LEU C C 167 173.703 173.703 175.735 -2.032 18389 9096 1 10 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.424 -2.845 18389 9097 1 10 . 1 1 167 167 LEU CB C 167 40.711 40.711 43.504 -2.793 18389 9098 1 10 . 1 1 167 167 LEU H H 167 8.552 8.552 8.477 0.075 18389 9099 1 10 . 1 1 168 168 ILE N N 168 116.914 116.914 119.799 -2.885 18389 9100 1 10 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.990 -0.001 18389 9101 1 10 . 1 1 168 168 ILE C C 168 173.923 173.923 176.492 -2.569 18389 9102 1 10 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.797 -1.421 18389 9103 1 10 . 1 1 168 168 ILE CB C 168 38.938 38.938 40.741 -1.803 18389 9104 1 10 . 1 1 168 168 ILE H H 168 8.523 8.523 8.825 -0.302 18389 9105 1 10 . 1 1 169 169 GLY N N 169 114.527 114.527 112.348 2.179 18389 9106 1 10 . 1 1 169 169 GLY C C 169 169.252 169.252 173.974 -4.722 18389 9107 1 10 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.766 -1.841 18389 9108 1 10 . 1 1 169 169 GLY H H 169 8.942 8.942 9.120 -0.178 18389 9109 1 10 . 1 1 170 170 ALA N N 170 123.678 123.678 122.829 0.849 18389 9110 1 10 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.437 -0.013 18389 9111 1 10 . 1 1 170 170 ALA C C 170 174.985 174.985 176.317 -1.332 18389 9112 1 10 . 1 1 170 170 ALA CA C 170 49.344 49.344 52.021 -2.677 18389 9113 1 10 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.959 -2.872 18389 9114 1 10 . 1 1 170 170 ALA H H 170 8.321 8.321 7.904 0.417 18389 9115 1 10 . 1 1 171 171 LEU N N 171 122.139 122.139 119.268 2.871 18389 9116 1 10 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.559 -0.154 18389 9117 1 10 . 1 1 171 171 LEU C C 171 174.478 174.478 175.715 -1.237 18389 9118 1 10 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.669 -2.035 18389 9119 1 10 . 1 1 171 171 LEU CB C 171 40.111 40.111 42.725 -2.614 18389 9120 1 10 . 1 1 171 171 LEU H H 171 8.182 8.182 8.319 -0.137 18389 9121 1 11 . 1 1 2 2 ALA N N 2 119.048 119.048 122.789 -3.741 18389 9122 1 11 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.441 -0.157 18389 9123 1 11 . 1 1 2 2 ALA C C 2 174.144 174.144 176.563 -2.419 18389 9124 1 11 . 1 1 2 2 ALA CA C 2 48.383 48.383 52.328 -3.945 18389 9125 1 11 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.995 -0.166 18389 9126 1 11 . 1 1 2 2 ALA H H 2 9.577 9.577 8.340 1.237 18389 9127 1 11 . 1 1 3 3 SER N N 3 114.278 114.278 113.921 0.357 18389 9128 1 11 . 1 1 3 3 SER C C 3 173.040 173.040 173.820 -0.780 18389 9129 1 11 . 1 1 3 3 SER H H 3 8.152 8.152 8.910 -0.758 18389 9130 1 11 . 1 1 6 6 GLY N N 6 112.362 112.362 111.376 0.986 18389 9131 1 11 . 1 1 6 6 GLY C C 6 170.686 170.686 173.016 -2.330 18389 9132 1 11 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.644 -2.331 18389 9133 1 11 . 1 1 6 6 GLY H H 6 8.750 8.750 8.455 0.295 18389 9134 1 11 . 1 1 7 7 GLU N N 7 117.722 117.722 116.293 1.429 18389 9135 1 11 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.077 0.352 18389 9136 1 11 . 1 1 7 7 GLU C C 7 172.744 172.744 174.193 -1.449 18389 9137 1 11 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.387 -2.139 18389 9138 1 11 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.186 -2.016 18389 9139 1 11 . 1 1 7 7 GLU H H 7 8.078 8.078 7.876 0.202 18389 9140 1 11 . 1 1 8 8 LYS N N 8 122.832 122.832 121.174 1.658 18389 9141 1 11 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.601 -0.062 18389 9142 1 11 . 1 1 8 8 LYS C C 8 171.963 171.963 174.393 -2.430 18389 9143 1 11 . 1 1 8 8 LYS CA C 8 52.565 52.565 55.417 -2.852 18389 9144 1 11 . 1 1 8 8 LYS CB C 8 33.185 33.185 36.035 -2.849 18389 9145 1 11 . 1 1 8 8 LYS H H 8 8.434 8.434 7.977 0.457 18389 9146 1 11 . 1 1 9 9 MET N N 9 128.562 128.562 123.859 4.703 18389 9147 1 11 . 1 1 9 9 MET HA H 9 4.536 4.536 4.246 0.290 18389 9148 1 11 . 1 1 9 9 MET C C 9 172.911 172.911 175.871 -2.960 18389 9149 1 11 . 1 1 9 9 MET CA C 9 53.012 53.012 56.094 -3.082 18389 9150 1 11 . 1 1 9 9 MET CB C 9 28.376 28.376 33.056 -4.680 18389 9151 1 11 . 1 1 9 9 MET H H 9 8.984 8.984 8.606 0.378 18389 9152 1 11 . 1 1 10 10 LEU N N 10 129.881 129.881 123.784 6.097 18389 9153 1 11 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.468 0.196 18389 9154 1 11 . 1 1 10 10 LEU C C 10 174.887 174.887 176.566 -1.679 18389 9155 1 11 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.493 -2.280 18389 9156 1 11 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.136 -2.737 18389 9157 1 11 . 1 1 10 10 LEU H H 10 9.751 9.751 8.826 0.925 18389 9158 1 11 . 1 1 11 11 ASP N N 11 115.516 115.516 117.202 -1.686 18389 9159 1 11 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.772 -0.049 18389 9160 1 11 . 1 1 11 11 ASP C C 11 170.836 170.836 174.452 -3.616 18389 9161 1 11 . 1 1 11 11 ASP CA C 11 53.583 53.583 54.026 -0.443 18389 9162 1 11 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.998 -3.779 18389 9163 1 11 . 1 1 11 11 ASP H H 11 8.110 8.110 7.935 0.175 18389 9164 1 11 . 1 1 12 12 ASP N N 12 124.144 124.144 121.103 3.041 18389 9165 1 11 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.898 -0.047 18389 9166 1 11 . 1 1 12 12 ASP C C 12 175.055 175.055 176.936 -1.881 18389 9167 1 11 . 1 1 12 12 ASP CA C 12 50.310 50.310 54.073 -3.763 18389 9168 1 11 . 1 1 12 12 ASP CB C 12 38.195 38.195 42.034 -3.839 18389 9169 1 11 . 1 1 12 12 ASP H H 12 8.053 8.053 8.810 -0.757 18389 9170 1 11 . 1 1 13 13 PHE N N 13 117.584 117.584 115.870 1.714 18389 9171 1 11 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.199 0.073 18389 9172 1 11 . 1 1 13 13 PHE C C 13 171.960 171.960 175.242 -3.282 18389 9173 1 11 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.434 -0.521 18389 9174 1 11 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.834 -4.659 18389 9175 1 11 . 1 1 13 13 PHE H H 13 9.327 9.327 7.467 1.860 18389 9176 1 11 . 1 1 14 14 GLU N N 14 113.122 113.122 118.752 -5.630 18389 9177 1 11 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.256 0.793 18389 9178 1 11 . 1 1 14 14 GLU C C 14 175.300 175.300 177.290 -1.990 18389 9179 1 11 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.151 -5.170 18389 9180 1 11 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.250 -4.255 18389 9181 1 11 . 1 1 14 14 GLU H H 14 8.165 8.165 8.231 -0.066 18389 9182 1 11 . 1 1 15 15 GLY N N 15 110.108 110.108 109.212 0.896 18389 9183 1 11 . 1 1 15 15 GLY C C 15 171.609 171.609 174.029 -2.420 18389 9184 1 11 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.863 -3.009 18389 9185 1 11 . 1 1 15 15 GLY H H 15 8.117 8.117 8.235 -0.118 18389 9186 1 11 . 1 1 16 16 VAL N N 16 121.792 121.792 121.566 0.226 18389 9187 1 11 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.292 -0.021 18389 9188 1 11 . 1 1 16 16 VAL C C 16 173.203 173.203 175.352 -2.149 18389 9189 1 11 . 1 1 16 16 VAL CA C 16 59.283 59.283 61.438 -2.155 18389 9190 1 11 . 1 1 16 16 VAL CB C 16 30.201 30.201 33.019 -2.818 18389 9191 1 11 . 1 1 16 16 VAL H H 16 8.190 8.190 8.242 -0.052 18389 9192 1 11 . 1 1 17 17 LEU N N 17 124.682 124.682 128.802 -4.120 18389 9193 1 11 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.774 0.124 18389 9194 1 11 . 1 1 17 17 LEU C C 17 174.685 174.685 176.406 -1.721 18389 9195 1 11 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.513 -2.715 18389 9196 1 11 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.189 -3.053 18389 9197 1 11 . 1 1 17 17 LEU H H 17 8.500 8.500 8.716 -0.216 18389 9198 1 11 . 1 1 18 18 ASN N N 18 127.589 127.589 124.057 3.532 18389 9199 1 11 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.894 0.253 18389 9200 1 11 . 1 1 18 18 ASN C C 18 171.583 171.583 175.066 -3.483 18389 9201 1 11 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.504 -1.527 18389 9202 1 11 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.991 -1.848 18389 9203 1 11 . 1 1 18 18 ASN H H 18 9.956 9.956 8.724 1.232 18389 9204 1 11 . 1 1 19 19 TRP N N 19 119.913 119.913 121.795 -1.882 18389 9205 1 11 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.042 0.016 18389 9206 1 11 . 1 1 19 19 TRP C C 19 174.918 174.918 176.883 -1.965 18389 9207 1 11 . 1 1 19 19 TRP CA C 19 55.376 55.376 57.179 -1.804 18389 9208 1 11 . 1 1 19 19 TRP CB C 19 27.400 27.400 30.092 -2.692 18389 9209 1 11 . 1 1 19 19 TRP H H 19 7.057 7.057 8.085 -1.028 18389 9210 1 11 . 1 1 20 20 GLY N N 20 112.934 112.934 111.558 1.376 18389 9211 1 11 . 1 1 20 20 GLY C C 20 171.436 171.436 173.710 -2.274 18389 9212 1 11 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.413 -3.473 18389 9213 1 11 . 1 1 20 20 GLY H H 20 9.622 9.622 8.955 0.667 18389 9214 1 11 . 1 1 21 21 SER N N 21 114.752 114.752 122.388 -7.636 18389 9215 1 11 . 1 1 21 21 SER HA H 21 5.686 5.686 5.259 0.427 18389 9216 1 11 . 1 1 21 21 SER C C 21 170.314 170.314 173.986 -3.672 18389 9217 1 11 . 1 1 21 21 SER CA C 21 55.911 55.911 58.181 -2.271 18389 9218 1 11 . 1 1 21 21 SER CB C 21 64.070 64.070 64.837 -0.767 18389 9219 1 11 . 1 1 21 21 SER H H 21 8.899 8.899 8.720 0.179 18389 9220 1 11 . 1 1 22 22 TYR N N 22 118.001 118.001 120.388 -2.387 18389 9221 1 11 . 1 1 22 22 TYR HA H 22 5.300 5.300 5.009 0.291 18389 9222 1 11 . 1 1 22 22 TYR C C 22 170.760 170.760 173.017 -2.257 18389 9223 1 11 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.002 -3.352 18389 9224 1 11 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.710 -2.886 18389 9225 1 11 . 1 1 22 22 TYR H H 22 8.807 8.807 8.667 0.140 18389 9226 1 11 . 1 1 23 23 SER N N 23 109.826 109.826 114.797 -4.971 18389 9227 1 11 . 1 1 23 23 SER HA H 23 4.912 4.912 5.145 -0.233 18389 9228 1 11 . 1 1 23 23 SER C C 23 169.918 169.918 173.887 -3.969 18389 9229 1 11 . 1 1 23 23 SER CA C 23 55.664 55.664 57.412 -1.748 18389 9230 1 11 . 1 1 23 23 SER CB C 23 62.361 62.361 66.276 -3.915 18389 9231 1 11 . 1 1 23 23 SER H H 23 8.435 8.435 8.424 0.011 18389 9232 1 11 . 1 1 24 24 GLY N N 24 103.788 103.788 108.483 -4.695 18389 9233 1 11 . 1 1 24 24 GLY C C 24 170.240 170.240 175.710 -5.470 18389 9234 1 11 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.098 -1.331 18389 9235 1 11 . 1 1 24 24 GLY H H 24 7.339 7.339 8.027 -0.688 18389 9236 1 11 . 1 1 25 25 GLU N N 25 116.420 116.420 119.534 -3.114 18389 9237 1 11 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.135 -0.026 18389 9238 1 11 . 1 1 25 25 GLU C C 25 173.683 173.683 178.222 -4.539 18389 9239 1 11 . 1 1 25 25 GLU CA C 25 53.687 53.687 58.096 -4.409 18389 9240 1 11 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.276 -4.130 18389 9241 1 11 . 1 1 25 25 GLU H H 25 8.962 8.962 8.630 0.332 18389 9242 1 11 . 1 1 26 26 GLY N N 26 106.660 106.660 106.713 -0.053 18389 9243 1 11 . 1 1 26 26 GLY C C 26 171.638 171.638 173.624 -1.986 18389 9244 1 11 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.782 -1.609 18389 9245 1 11 . 1 1 26 26 GLY H H 26 8.483 8.483 8.346 0.137 18389 9246 1 11 . 1 1 27 27 ALA N N 27 123.407 123.407 121.563 1.844 18389 9247 1 11 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.672 -0.025 18389 9248 1 11 . 1 1 27 27 ALA C C 27 174.232 174.232 175.035 -0.803 18389 9249 1 11 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.260 -1.697 18389 9250 1 11 . 1 1 27 27 ALA CB C 27 17.538 17.538 21.858 -4.320 18389 9251 1 11 . 1 1 27 27 ALA H H 27 7.182 7.182 7.558 -0.376 18389 9252 1 11 . 1 1 28 28 LYS N N 28 117.590 117.590 120.614 -3.024 18389 9253 1 11 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.918 -0.026 18389 9254 1 11 . 1 1 28 28 LYS C C 28 171.365 171.365 174.550 -3.185 18389 9255 1 11 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.810 -3.391 18389 9256 1 11 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.645 -2.101 18389 9257 1 11 . 1 1 28 28 LYS H H 28 8.650 8.650 8.800 -0.150 18389 9258 1 11 . 1 1 29 29 VAL N N 29 118.148 118.148 121.038 -2.890 18389 9259 1 11 . 1 1 29 29 VAL HA H 29 5.241 5.241 5.223 0.018 18389 9260 1 11 . 1 1 29 29 VAL C C 29 169.809 169.809 174.987 -5.178 18389 9261 1 11 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.310 -3.227 18389 9262 1 11 . 1 1 29 29 VAL CB C 29 31.475 31.475 34.255 -2.780 18389 9263 1 11 . 1 1 29 29 VAL H H 29 8.327 8.327 8.592 -0.265 18389 9264 1 11 . 1 1 30 30 SER N N 30 120.964 120.964 122.862 -1.898 18389 9265 1 11 . 1 1 30 30 SER HA H 30 4.993 4.993 4.849 0.144 18389 9266 1 11 . 1 1 30 30 SER C C 30 170.354 170.354 173.796 -3.442 18389 9267 1 11 . 1 1 30 30 SER CA C 30 54.438 54.438 57.842 -3.404 18389 9268 1 11 . 1 1 30 30 SER CB C 30 63.262 63.262 65.520 -2.259 18389 9269 1 11 . 1 1 30 30 SER H H 30 8.797 8.797 9.206 -0.409 18389 9270 1 11 . 1 1 31 31 THR N N 31 112.970 112.970 116.486 -3.516 18389 9271 1 11 . 1 1 31 31 THR HA H 31 5.618 5.618 5.031 0.587 18389 9272 1 11 . 1 1 31 31 THR C C 31 171.857 171.857 174.484 -2.627 18389 9273 1 11 . 1 1 31 31 THR CA C 31 56.212 56.212 60.613 -4.401 18389 9274 1 11 . 1 1 31 31 THR CB C 31 69.719 69.719 69.949 -0.230 18389 9275 1 11 . 1 1 31 31 THR H H 31 8.384 8.384 8.491 -0.107 18389 9276 1 11 . 1 1 32 32 LYS N N 32 119.710 119.710 122.399 -2.689 18389 9277 1 11 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.652 0.074 18389 9278 1 11 . 1 1 32 32 LYS C C 32 171.734 171.734 175.038 -3.304 18389 9279 1 11 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.965 -1.992 18389 9280 1 11 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.496 -2.402 18389 9281 1 11 . 1 1 32 32 LYS H H 32 8.530 8.530 8.795 -0.265 18389 9282 1 11 . 1 1 33 33 ILE N N 33 124.276 124.276 122.548 1.728 18389 9283 1 11 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.968 0.006 18389 9284 1 11 . 1 1 33 33 ILE C C 33 173.578 173.578 175.705 -2.127 18389 9285 1 11 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.311 -2.872 18389 9286 1 11 . 1 1 33 33 ILE CB C 33 33.463 33.463 39.227 -5.764 18389 9287 1 11 . 1 1 33 33 ILE H H 33 8.669 8.669 8.389 0.280 18389 9288 1 11 . 1 1 34 34 VAL N N 34 121.698 121.698 123.100 -1.402 18389 9289 1 11 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.684 0.182 18389 9290 1 11 . 1 1 34 34 VAL C C 34 172.702 172.702 174.516 -1.814 18389 9291 1 11 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.102 -2.443 18389 9292 1 11 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.205 -0.296 18389 9293 1 11 . 1 1 34 34 VAL H H 34 8.463 8.463 8.940 -0.477 18389 9294 1 11 . 1 1 35 35 SER N N 35 115.704 115.704 116.198 -0.494 18389 9295 1 11 . 1 1 35 35 SER HA H 35 4.590 4.590 4.528 0.062 18389 9296 1 11 . 1 1 35 35 SER CA C 35 58.345 58.345 59.108 -0.763 18389 9297 1 11 . 1 1 35 35 SER CB C 35 60.619 60.619 63.569 -2.950 18389 9298 1 11 . 1 1 35 35 SER H H 35 8.271 8.271 8.351 -0.080 18389 9299 1 11 . 1 1 36 36 GLY N N 36 113.970 113.970 111.696 2.274 18389 9300 1 11 . 1 1 36 36 GLY C C 36 170.257 170.257 173.201 -2.944 18389 9301 1 11 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.767 -3.068 18389 9302 1 11 . 1 1 36 36 GLY H H 36 9.267 9.267 8.306 0.961 18389 9303 1 11 . 1 1 37 37 LYS N N 37 129.227 129.227 118.692 10.535 18389 9304 1 11 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.870 -0.515 18389 9305 1 11 . 1 1 37 37 LYS C C 37 174.912 174.912 176.884 -1.972 18389 9306 1 11 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.031 -2.476 18389 9307 1 11 . 1 1 37 37 LYS CB C 37 29.409 29.409 33.488 -4.079 18389 9308 1 11 . 1 1 37 37 LYS H H 37 8.484 8.484 8.164 0.320 18389 9309 1 11 . 1 1 38 38 THR N N 38 109.924 109.924 111.479 -1.555 18389 9310 1 11 . 1 1 38 38 THR HA H 38 4.398 4.398 4.389 0.009 18389 9311 1 11 . 1 1 38 38 THR C C 38 171.818 171.818 173.740 -1.922 18389 9312 1 11 . 1 1 38 38 THR CA C 38 57.223 57.223 62.032 -4.809 18389 9313 1 11 . 1 1 38 38 THR CB C 38 67.805 67.805 70.677 -2.872 18389 9314 1 11 . 1 1 38 38 THR H H 38 7.549 7.549 8.226 -0.677 18389 9315 1 11 . 1 1 40 40 ASN N N 40 129.674 129.674 122.563 7.111 18389 9316 1 11 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.069 0.454 18389 9317 1 11 . 1 1 40 40 ASN C C 40 173.717 173.717 175.731 -2.014 18389 9318 1 11 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.222 -1.900 18389 9319 1 11 . 1 1 40 40 ASN CB C 40 38.188 38.188 39.915 -1.727 18389 9320 1 11 . 1 1 40 40 ASN H H 40 10.958 10.958 8.799 2.159 18389 9321 1 11 . 1 1 41 41 GLY N N 41 111.261 111.261 104.884 6.377 18389 9322 1 11 . 1 1 41 41 GLY C C 41 166.652 166.652 171.867 -5.215 18389 9323 1 11 . 1 1 41 41 GLY CA C 41 41.711 41.711 44.294 -2.583 18389 9324 1 11 . 1 1 41 41 GLY H H 41 9.674 9.674 8.499 1.175 18389 9325 1 11 . 1 1 42 42 MET N N 42 119.165 119.165 119.796 -0.631 18389 9326 1 11 . 1 1 42 42 MET HA H 42 4.849 4.849 5.032 -0.183 18389 9327 1 11 . 1 1 42 42 MET C C 42 171.154 171.154 173.782 -2.628 18389 9328 1 11 . 1 1 42 42 MET CA C 42 51.503 51.503 53.970 -2.467 18389 9329 1 11 . 1 1 42 42 MET CB C 42 33.293 33.293 35.443 -2.150 18389 9330 1 11 . 1 1 42 42 MET H H 42 7.550 7.550 8.266 -0.716 18389 9331 1 11 . 1 1 43 43 GLU N N 43 128.221 128.221 126.828 1.393 18389 9332 1 11 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.129 -0.263 18389 9333 1 11 . 1 1 43 43 GLU C C 43 172.612 172.612 174.071 -1.459 18389 9334 1 11 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.486 -2.807 18389 9335 1 11 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.634 -3.238 18389 9336 1 11 . 1 1 43 43 GLU H H 43 9.355 9.355 8.735 0.620 18389 9337 1 11 . 1 1 44 44 VAL N N 44 131.011 131.011 125.316 5.695 18389 9338 1 11 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.888 -0.526 18389 9339 1 11 . 1 1 44 44 VAL C C 44 171.752 171.752 173.118 -1.366 18389 9340 1 11 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.586 -1.251 18389 9341 1 11 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.461 -6.511 18389 9342 1 11 . 1 1 44 44 VAL H H 44 9.002 9.002 8.679 0.323 18389 9343 1 11 . 1 1 45 45 SER N N 45 120.764 120.764 124.307 -3.543 18389 9344 1 11 . 1 1 45 45 SER HA H 45 4.975 4.975 5.414 -0.439 18389 9345 1 11 . 1 1 45 45 SER C C 45 170.500 170.500 172.654 -2.154 18389 9346 1 11 . 1 1 45 45 SER CA C 45 53.547 53.547 56.751 -3.204 18389 9347 1 11 . 1 1 45 45 SER CB C 45 61.650 61.650 65.886 -4.236 18389 9348 1 11 . 1 1 45 45 SER H H 45 8.511 8.511 8.900 -0.389 18389 9349 1 11 . 1 1 46 46 TYR N N 46 123.478 123.478 120.206 3.272 18389 9350 1 11 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.397 -0.122 18389 9351 1 11 . 1 1 46 46 TYR C C 46 171.644 171.644 173.490 -1.846 18389 9352 1 11 . 1 1 46 46 TYR CA C 46 52.235 52.235 56.090 -3.856 18389 9353 1 11 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.376 -3.911 18389 9354 1 11 . 1 1 46 46 TYR H H 46 8.511 8.511 9.211 -0.700 18389 9355 1 11 . 1 1 47 47 THR N N 47 118.641 118.641 120.418 -1.777 18389 9356 1 11 . 1 1 47 47 THR HA H 47 4.793 4.793 4.316 0.477 18389 9357 1 11 . 1 1 47 47 THR C C 47 171.614 171.614 173.783 -2.169 18389 9358 1 11 . 1 1 47 47 THR CA C 47 58.267 58.267 61.568 -3.301 18389 9359 1 11 . 1 1 47 47 THR CB C 47 68.820 68.820 69.586 -0.766 18389 9360 1 11 . 1 1 47 47 THR H H 47 8.935 8.935 8.570 0.365 18389 9361 1 11 . 1 1 48 48 GLY N N 48 112.467 112.467 112.222 0.245 18389 9362 1 11 . 1 1 48 48 GLY C C 48 170.521 170.521 171.689 -1.168 18389 9363 1 11 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.483 -1.407 18389 9364 1 11 . 1 1 48 48 GLY H H 48 7.723 7.723 7.422 0.301 18389 9365 1 11 . 1 1 49 49 THR N N 49 106.823 106.823 110.912 -4.089 18389 9366 1 11 . 1 1 49 49 THR HA H 49 4.913 4.913 4.705 0.208 18389 9367 1 11 . 1 1 49 49 THR C C 49 172.529 172.529 174.723 -2.194 18389 9368 1 11 . 1 1 49 49 THR CA C 49 57.385 57.385 59.627 -2.242 18389 9369 1 11 . 1 1 49 49 THR CB C 49 69.609 69.609 70.687 -1.078 18389 9370 1 11 . 1 1 49 49 THR H H 49 8.019 8.019 7.079 0.940 18389 9371 1 11 . 1 1 51 51 ASP N N 51 118.095 118.095 119.691 -1.596 18389 9372 1 11 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.788 0.216 18389 9373 1 11 . 1 1 51 51 ASP C C 51 172.913 172.913 176.659 -3.746 18389 9374 1 11 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.040 -1.795 18389 9375 1 11 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.655 -2.885 18389 9376 1 11 . 1 1 51 51 ASP H H 51 8.613 8.613 8.009 0.604 18389 9377 1 11 . 1 1 52 52 GLY N N 52 107.075 107.075 106.965 0.110 18389 9378 1 11 . 1 1 52 52 GLY C C 52 169.748 169.748 172.632 -2.884 18389 9379 1 11 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.978 -2.072 18389 9380 1 11 . 1 1 52 52 GLY H H 52 7.651 7.651 7.573 0.078 18389 9381 1 11 . 1 1 53 53 TYR N N 53 112.556 112.556 114.399 -1.843 18389 9382 1 11 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.280 -0.659 18389 9383 1 11 . 1 1 53 53 TYR C C 53 169.219 169.219 173.047 -3.828 18389 9384 1 11 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.823 -4.717 18389 9385 1 11 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.405 -1.375 18389 9386 1 11 . 1 1 53 53 TYR H H 53 6.918 6.918 8.045 -1.127 18389 9387 1 11 . 1 1 54 54 TRP N N 54 112.748 112.748 118.348 -5.600 18389 9388 1 11 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.770 -0.391 18389 9389 1 11 . 1 1 54 54 TRP C C 54 171.085 171.085 174.563 -3.478 18389 9390 1 11 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.972 -3.712 18389 9391 1 11 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.331 -2.356 18389 9392 1 11 . 1 1 54 54 TRP H H 54 6.406 6.406 7.761 -1.355 18389 9393 1 11 . 1 1 55 55 GLY N N 55 108.552 108.552 105.726 2.826 18389 9394 1 11 . 1 1 55 55 GLY C C 55 168.023 168.023 171.835 -3.812 18389 9395 1 11 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.469 -2.021 18389 9396 1 11 . 1 1 55 55 GLY H H 55 8.689 8.689 8.422 0.267 18389 9397 1 11 . 1 1 56 56 THR N N 56 113.376 113.376 115.454 -2.078 18389 9398 1 11 . 1 1 56 56 THR HA H 56 5.868 5.868 4.991 0.877 18389 9399 1 11 . 1 1 56 56 THR C C 56 170.376 170.376 172.659 -2.283 18389 9400 1 11 . 1 1 56 56 THR CA C 56 57.238 57.238 61.689 -4.451 18389 9401 1 11 . 1 1 56 56 THR CB C 56 69.053 69.053 70.846 -1.793 18389 9402 1 11 . 1 1 56 56 THR H H 56 9.518 9.518 8.407 1.111 18389 9403 1 11 . 1 1 57 57 VAL N N 57 123.361 123.361 127.294 -3.933 18389 9404 1 11 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.569 0.884 18389 9405 1 11 . 1 1 57 57 VAL C C 57 169.082 169.082 174.141 -5.059 18389 9406 1 11 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.070 -5.021 18389 9407 1 11 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.031 -1.684 18389 9408 1 11 . 1 1 57 57 VAL H H 57 8.956 8.956 8.793 0.163 18389 9409 1 11 . 1 1 58 58 TYR N N 58 131.224 131.224 128.113 3.111 18389 9410 1 11 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.549 0.027 18389 9411 1 11 . 1 1 58 58 TYR C C 58 172.050 172.050 173.544 -1.494 18389 9412 1 11 . 1 1 58 58 TYR CA C 58 51.582 51.582 55.401 -3.819 18389 9413 1 11 . 1 1 58 58 TYR CB C 58 34.961 34.961 40.901 -5.940 18389 9414 1 11 . 1 1 58 58 TYR H H 58 8.641 8.641 8.900 -0.259 18389 9415 1 11 . 1 1 59 59 SER N N 59 123.126 123.126 122.754 0.372 18389 9416 1 11 . 1 1 59 59 SER HA H 59 4.304 4.304 4.473 -0.169 18389 9417 1 11 . 1 1 59 59 SER C C 59 170.891 170.891 173.840 -2.949 18389 9418 1 11 . 1 1 59 59 SER CA C 59 55.452 55.452 56.919 -1.467 18389 9419 1 11 . 1 1 59 59 SER CB C 59 60.048 60.048 63.483 -3.435 18389 9420 1 11 . 1 1 59 59 SER H H 59 8.217 8.217 8.400 -0.183 18389 9421 1 11 . 1 1 60 60 LEU N N 60 126.809 126.809 130.510 -3.701 18389 9422 1 11 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.684 -0.431 18389 9423 1 11 . 1 1 60 60 LEU C C 60 173.994 173.994 175.969 -1.975 18389 9424 1 11 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.392 -3.342 18389 9425 1 11 . 1 1 60 60 LEU CB C 60 39.357 39.357 41.691 -2.334 18389 9426 1 11 . 1 1 60 60 LEU H H 60 7.838 7.838 7.803 0.035 18389 9427 1 11 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.351 0.222 18389 9428 1 11 . 1 1 61 61 PRO C C 61 173.514 173.514 176.431 -2.917 18389 9429 1 11 . 1 1 61 61 PRO CA C 61 61.252 61.252 63.862 -2.610 18389 9430 1 11 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.021 -2.706 18389 9431 1 11 . 1 1 62 62 ASP N N 62 115.943 115.943 116.738 -0.795 18389 9432 1 11 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.815 0.024 18389 9433 1 11 . 1 1 62 62 ASP C C 62 172.949 172.949 175.229 -2.280 18389 9434 1 11 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.226 -2.520 18389 9435 1 11 . 1 1 62 62 ASP CB C 62 40.031 40.031 43.899 -3.868 18389 9436 1 11 . 1 1 62 62 ASP H H 62 7.018 7.018 7.954 -0.936 18389 9437 1 11 . 1 1 63 63 GLY N N 63 112.680 112.680 105.997 6.683 18389 9438 1 11 . 1 1 63 63 GLY C C 63 170.273 170.273 171.982 -1.709 18389 9439 1 11 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.442 -1.441 18389 9440 1 11 . 1 1 63 63 GLY H H 63 8.417 8.417 8.064 0.353 18389 9441 1 11 . 1 1 64 64 ASP N N 64 115.221 115.221 121.722 -6.501 18389 9442 1 11 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.722 0.571 18389 9443 1 11 . 1 1 64 64 ASP C C 64 174.354 174.354 175.845 -1.491 18389 9444 1 11 . 1 1 64 64 ASP CA C 64 50.267 50.267 53.852 -3.585 18389 9445 1 11 . 1 1 64 64 ASP CB C 64 37.340 37.340 40.578 -3.238 18389 9446 1 11 . 1 1 64 64 ASP H H 64 7.766 7.766 7.790 -0.024 18389 9447 1 11 . 1 1 65 65 TRP N N 65 130.747 130.747 120.170 10.577 18389 9448 1 11 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.799 0.632 18389 9449 1 11 . 1 1 65 65 TRP C C 65 173.930 173.930 177.505 -3.575 18389 9450 1 11 . 1 1 65 65 TRP CA C 65 52.044 52.044 57.351 -5.307 18389 9451 1 11 . 1 1 65 65 TRP CB C 65 26.607 26.607 28.752 -2.145 18389 9452 1 11 . 1 1 65 65 TRP H H 65 9.687 9.687 7.530 2.157 18389 9453 1 11 . 1 1 66 66 SER N N 66 114.151 114.151 115.283 -1.132 18389 9454 1 11 . 1 1 66 66 SER HA H 66 4.041 4.041 4.270 -0.229 18389 9455 1 11 . 1 1 66 66 SER CA C 66 59.812 59.812 60.670 -0.858 18389 9456 1 11 . 1 1 66 66 SER CB C 66 60.892 60.892 62.696 -1.804 18389 9457 1 11 . 1 1 66 66 SER H H 66 8.568 8.568 7.513 1.055 18389 9458 1 11 . 1 1 70 70 LYS N N 70 117.090 117.090 116.659 0.431 18389 9459 1 11 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.485 -0.087 18389 9460 1 11 . 1 1 70 70 LYS C C 70 170.030 170.030 174.377 -4.347 18389 9461 1 11 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.374 -3.515 18389 9462 1 11 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.780 -1.824 18389 9463 1 11 . 1 1 70 70 LYS H H 70 8.308 8.308 7.613 0.695 18389 9464 1 11 . 1 1 71 71 ILE N N 71 118.764 118.764 121.207 -2.443 18389 9465 1 11 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.583 0.631 18389 9466 1 11 . 1 1 71 71 ILE C C 71 169.396 169.396 173.948 -4.552 18389 9467 1 11 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.352 -4.019 18389 9468 1 11 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.289 -1.643 18389 9469 1 11 . 1 1 71 71 ILE H H 71 7.816 7.816 8.736 -0.920 18389 9470 1 11 . 1 1 72 72 SER N N 72 120.952 120.952 118.917 2.035 18389 9471 1 11 . 1 1 72 72 SER HA H 72 5.852 5.852 5.016 0.836 18389 9472 1 11 . 1 1 72 72 SER C C 72 170.208 170.208 172.607 -2.399 18389 9473 1 11 . 1 1 72 72 SER CA C 72 52.457 52.457 56.091 -3.634 18389 9474 1 11 . 1 1 72 72 SER CB C 72 64.125 64.125 64.680 -0.555 18389 9475 1 11 . 1 1 72 72 SER H H 72 9.237 9.237 8.573 0.664 18389 9476 1 11 . 1 1 73 73 PHE N N 73 117.161 117.161 121.239 -4.078 18389 9477 1 11 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.754 -0.383 18389 9478 1 11 . 1 1 73 73 PHE C C 73 170.381 170.381 173.582 -3.201 18389 9479 1 11 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.040 -1.243 18389 9480 1 11 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.456 -2.884 18389 9481 1 11 . 1 1 73 73 PHE H H 73 8.093 8.093 7.837 0.256 18389 9482 1 11 . 1 1 74 74 ASP N N 74 120.210 120.210 121.456 -1.246 18389 9483 1 11 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.413 0.741 18389 9484 1 11 . 1 1 74 74 ASP C C 74 173.653 173.653 174.605 -0.952 18389 9485 1 11 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.937 -3.041 18389 9486 1 11 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.185 -1.698 18389 9487 1 11 . 1 1 74 74 ASP H H 74 8.993 8.993 8.808 0.185 18389 9488 1 11 . 1 1 75 75 ILE N N 75 121.051 121.051 126.083 -5.032 18389 9489 1 11 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.924 1.329 18389 9490 1 11 . 1 1 75 75 ILE C C 75 171.229 171.229 173.003 -1.774 18389 9491 1 11 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.725 -2.204 18389 9492 1 11 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.307 0.214 18389 9493 1 11 . 1 1 75 75 ILE H H 75 9.681 9.681 7.911 1.770 18389 9494 1 11 . 1 1 76 76 LYS N N 76 124.693 124.693 125.703 -1.010 18389 9495 1 11 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.867 -0.036 18389 9496 1 11 . 1 1 76 76 LYS C C 76 172.283 172.283 173.785 -1.502 18389 9497 1 11 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.609 -1.207 18389 9498 1 11 . 1 1 76 76 LYS CB C 76 32.722 32.722 35.031 -2.309 18389 9499 1 11 . 1 1 76 76 LYS H H 76 8.454 8.454 8.522 -0.068 18389 9500 1 11 . 1 1 77 77 SER N N 77 118.916 118.916 114.466 4.450 18389 9501 1 11 . 1 1 77 77 SER HA H 77 4.816 4.816 4.919 -0.103 18389 9502 1 11 . 1 1 77 77 SER C C 77 172.741 172.741 175.696 -2.955 18389 9503 1 11 . 1 1 77 77 SER CA C 77 55.341 55.341 57.363 -2.022 18389 9504 1 11 . 1 1 77 77 SER CB C 77 61.792 61.792 64.205 -2.413 18389 9505 1 11 . 1 1 77 77 SER H H 77 9.236 9.236 8.626 0.610 18389 9506 1 11 . 1 1 78 78 VAL N N 78 120.723 120.723 120.928 -0.205 18389 9507 1 11 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.450 -0.116 18389 9508 1 11 . 1 1 78 78 VAL C C 78 172.941 172.941 175.652 -2.711 18389 9509 1 11 . 1 1 78 78 VAL CA C 78 59.795 59.795 62.042 -2.247 18389 9510 1 11 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.920 -2.652 18389 9511 1 11 . 1 1 78 78 VAL H H 78 8.132 8.132 8.799 -0.667 18389 9512 1 11 . 1 1 79 79 ASP N N 79 119.240 119.240 119.233 0.007 18389 9513 1 11 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.674 0.067 18389 9514 1 11 . 1 1 79 79 ASP C C 79 174.199 174.199 177.316 -3.117 18389 9515 1 11 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.123 -3.011 18389 9516 1 11 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.488 -3.415 18389 9517 1 11 . 1 1 79 79 ASP H H 79 8.190 8.190 7.790 0.400 18389 9518 1 11 . 1 1 80 80 GLY N N 80 108.323 108.323 108.159 0.164 18389 9519 1 11 . 1 1 80 80 GLY C C 80 171.858 171.858 175.565 -3.707 18389 9520 1 11 . 1 1 80 80 GLY CA C 80 43.103 43.103 46.090 -2.987 18389 9521 1 11 . 1 1 80 80 GLY H H 80 8.275 8.275 8.171 0.104 18389 9522 1 11 . 1 1 81 81 SER N N 81 116.291 116.291 115.673 0.618 18389 9523 1 11 . 1 1 81 81 SER HA H 81 4.588 4.588 4.320 0.268 18389 9524 1 11 . 1 1 81 81 SER C C 81 171.588 171.588 174.414 -2.826 18389 9525 1 11 . 1 1 81 81 SER CA C 81 55.552 55.552 58.685 -3.133 18389 9526 1 11 . 1 1 81 81 SER CB C 81 61.910 61.910 63.405 -1.495 18389 9527 1 11 . 1 1 81 81 SER H H 81 8.201 8.201 8.026 0.175 18389 9528 1 11 . 1 1 82 82 ALA N N 82 128.019 128.019 120.061 7.958 18389 9529 1 11 . 1 1 82 82 ALA HA H 82 4.962 4.962 3.913 1.049 18389 9530 1 11 . 1 1 82 82 ALA C C 82 173.332 173.332 176.335 -3.003 18389 9531 1 11 . 1 1 82 82 ALA CA C 82 49.079 49.079 53.123 -4.044 18389 9532 1 11 . 1 1 82 82 ALA CB C 82 16.570 16.570 17.438 -0.868 18389 9533 1 11 . 1 1 82 82 ALA H H 82 8.613 8.613 8.233 0.380 18389 9534 1 11 . 1 1 83 83 ASN N N 83 119.651 119.651 116.678 2.973 18389 9535 1 11 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.604 0.458 18389 9536 1 11 . 1 1 83 83 ASN C C 83 170.848 170.848 175.292 -4.444 18389 9537 1 11 . 1 1 83 83 ASN CA C 83 50.760 50.760 51.993 -1.233 18389 9538 1 11 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.270 0.519 18389 9539 1 11 . 1 1 83 83 ASN H H 83 8.153 8.153 8.108 0.045 18389 9540 1 11 . 1 1 84 84 GLU N N 84 127.150 127.150 120.423 6.727 18389 9541 1 11 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.635 0.077 18389 9542 1 11 . 1 1 84 84 GLU C C 84 171.647 171.647 176.313 -4.666 18389 9543 1 11 . 1 1 84 84 GLU CA C 84 54.772 54.772 57.358 -2.586 18389 9544 1 11 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.656 -1.955 18389 9545 1 11 . 1 1 84 84 GLU H H 84 8.122 8.122 8.596 -0.474 18389 9546 1 11 . 1 1 85 85 ILE N N 85 117.590 117.590 116.396 1.194 18389 9547 1 11 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.894 -0.261 18389 9548 1 11 . 1 1 85 85 ILE C C 85 171.902 171.902 173.927 -2.025 18389 9549 1 11 . 1 1 85 85 ILE CA C 85 58.031 58.031 58.732 -0.701 18389 9550 1 11 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.819 -2.567 18389 9551 1 11 . 1 1 85 85 ILE H H 85 8.910 8.910 8.743 0.167 18389 9552 1 11 . 1 1 86 86 ARG N N 86 116.697 116.697 116.537 0.160 18389 9553 1 11 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.887 0.509 18389 9554 1 11 . 1 1 86 86 ARG C C 86 171.787 171.787 175.349 -3.562 18389 9555 1 11 . 1 1 86 86 ARG CA C 86 53.115 53.115 53.845 -0.730 18389 9556 1 11 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.494 -1.432 18389 9557 1 11 . 1 1 86 86 ARG H H 86 9.149 9.149 8.398 0.751 18389 9558 1 11 . 1 1 87 87 PHE N N 87 123.607 123.607 119.721 3.886 18389 9559 1 11 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.341 0.147 18389 9560 1 11 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.516 -1.699 18389 9561 1 11 . 1 1 87 87 PHE CB C 87 40.112 40.112 41.823 -1.711 18389 9562 1 11 . 1 1 87 87 PHE H H 87 9.235 9.235 8.947 0.288 18389 9563 1 11 . 1 1 88 88 MET N N 88 129.893 129.893 120.395 9.498 18389 9564 1 11 . 1 1 88 88 MET HA H 88 5.836 5.836 5.689 0.147 18389 9565 1 11 . 1 1 88 88 MET C C 88 170.768 170.768 174.029 -3.261 18389 9566 1 11 . 1 1 88 88 MET CA C 88 51.118 51.118 55.571 -4.453 18389 9567 1 11 . 1 1 88 88 MET CB C 88 37.224 37.224 37.350 -0.126 18389 9568 1 11 . 1 1 88 88 MET H H 88 8.868 8.868 9.020 -0.152 18389 9569 1 11 . 1 1 89 89 ILE N N 89 124.630 124.630 124.507 0.123 18389 9570 1 11 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.271 -0.733 18389 9571 1 11 . 1 1 89 89 ILE C C 89 171.047 171.047 173.370 -2.323 18389 9572 1 11 . 1 1 89 89 ILE CA C 89 57.971 57.971 58.927 -0.956 18389 9573 1 11 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.780 -3.860 18389 9574 1 11 . 1 1 89 89 ILE H H 89 9.258 9.258 8.923 0.335 18389 9575 1 11 . 1 1 90 90 ALA N N 90 128.743 128.743 130.003 -1.260 18389 9576 1 11 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.218 0.448 18389 9577 1 11 . 1 1 90 90 ALA C C 90 176.041 176.041 176.275 -0.234 18389 9578 1 11 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.593 -2.772 18389 9579 1 11 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.727 -3.396 18389 9580 1 11 . 1 1 90 90 ALA H H 90 8.749 8.749 9.220 -0.471 18389 9581 1 11 . 1 1 91 91 GLU N N 91 121.616 121.616 122.973 -1.357 18389 9582 1 11 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.631 0.087 18389 9583 1 11 . 1 1 91 91 GLU C C 91 174.217 174.217 177.270 -3.053 18389 9584 1 11 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.967 -2.824 18389 9585 1 11 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.274 -1.427 18389 9586 1 11 . 1 1 91 91 GLU H H 91 8.749 8.749 8.596 0.153 18389 9587 1 11 . 1 1 92 92 LYS N N 92 117.975 117.975 120.778 -2.803 18389 9588 1 11 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.552 -0.183 18389 9589 1 11 . 1 1 92 92 LYS C C 92 174.743 174.743 176.872 -2.129 18389 9590 1 11 . 1 1 92 92 LYS CA C 92 54.360 54.360 55.992 -1.632 18389 9591 1 11 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.690 -3.034 18389 9592 1 11 . 1 1 92 92 LYS H H 92 8.014 8.014 8.344 -0.330 18389 9593 1 11 . 1 1 93 93 SER N N 93 115.092 115.092 115.677 -0.585 18389 9594 1 11 . 1 1 93 93 SER HA H 93 4.215 4.215 4.554 -0.339 18389 9595 1 11 . 1 1 93 93 SER C C 93 174.964 174.964 177.270 -2.306 18389 9596 1 11 . 1 1 93 93 SER CA C 93 53.874 53.874 57.361 -3.487 18389 9597 1 11 . 1 1 93 93 SER CB C 93 61.736 61.736 63.877 -2.142 18389 9598 1 11 . 1 1 93 93 SER H H 93 8.083 8.083 8.599 -0.516 18389 9599 1 11 . 1 1 94 94 ILE N N 94 121.880 121.880 123.675 -1.795 18389 9600 1 11 . 1 1 94 94 ILE HA H 94 4.386 4.386 3.899 0.487 18389 9601 1 11 . 1 1 94 94 ILE C C 94 174.020 174.020 176.466 -2.446 18389 9602 1 11 . 1 1 94 94 ILE CA C 94 60.345 60.345 63.311 -2.966 18389 9603 1 11 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.817 -1.816 18389 9604 1 11 . 1 1 94 94 ILE H H 94 9.150 9.150 9.047 0.103 18389 9605 1 11 . 1 1 95 95 ASN N N 95 117.349 117.349 118.224 -0.875 18389 9606 1 11 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.786 0.269 18389 9607 1 11 . 1 1 95 95 ASN C C 95 173.659 173.659 175.971 -2.312 18389 9608 1 11 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.064 -3.677 18389 9609 1 11 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.176 -2.510 18389 9610 1 11 . 1 1 95 95 ASN H H 95 8.163 8.163 8.042 0.121 18389 9611 1 11 . 1 1 96 96 GLY N N 96 106.957 106.957 108.486 -1.529 18389 9612 1 11 . 1 1 96 96 GLY C C 96 170.704 170.704 174.046 -3.342 18389 9613 1 11 . 1 1 96 96 GLY CA C 96 43.319 43.319 46.190 -2.871 18389 9614 1 11 . 1 1 96 96 GLY H H 96 7.530 7.530 7.763 -0.233 18389 9615 1 11 . 1 1 97 97 VAL N N 97 119.393 119.393 121.158 -1.765 18389 9616 1 11 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.299 0.055 18389 9617 1 11 . 1 1 97 97 VAL C C 97 173.622 173.622 176.433 -2.811 18389 9618 1 11 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.383 -2.241 18389 9619 1 11 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.667 -2.896 18389 9620 1 11 . 1 1 97 97 VAL H H 97 7.650 7.650 7.157 0.493 18389 9621 1 11 . 1 1 98 98 GLY N N 98 115.075 115.075 114.739 0.336 18389 9622 1 11 . 1 1 98 98 GLY C C 98 170.065 170.065 173.509 -3.444 18389 9623 1 11 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.390 -2.651 18389 9624 1 11 . 1 1 98 98 GLY H H 98 8.712 8.712 8.466 0.246 18389 9625 1 11 . 1 1 99 99 ASP N N 99 119.064 119.064 124.163 -5.099 18389 9626 1 11 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.755 -0.080 18389 9627 1 11 . 1 1 99 99 ASP C C 99 172.502 172.502 175.633 -3.131 18389 9628 1 11 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.517 -2.936 18389 9629 1 11 . 1 1 99 99 ASP CB C 99 39.195 39.195 42.705 -3.510 18389 9630 1 11 . 1 1 99 99 ASP H H 99 8.746 8.746 8.336 0.410 18389 9631 1 11 . 1 1 100 100 GLY N N 100 109.333 109.333 106.373 2.960 18389 9632 1 11 . 1 1 100 100 GLY C C 100 167.638 167.638 172.574 -4.936 18389 9633 1 11 . 1 1 100 100 GLY CA C 100 40.109 40.109 43.523 -3.414 18389 9634 1 11 . 1 1 100 100 GLY H H 100 8.285 8.285 8.089 0.196 18389 9635 1 11 . 1 1 101 101 GLU N N 101 120.835 120.835 121.466 -0.631 18389 9636 1 11 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.178 0.549 18389 9637 1 11 . 1 1 101 101 GLU C C 101 173.652 173.652 176.045 -2.393 18389 9638 1 11 . 1 1 101 101 GLU CA C 101 55.449 55.449 56.329 -0.880 18389 9639 1 11 . 1 1 101 101 GLU CB C 101 31.014 31.014 29.681 1.333 18389 9640 1 11 . 1 1 101 101 GLU H H 101 8.339 8.339 8.619 -0.280 18389 9641 1 11 . 1 1 102 102 HIS N N 102 126.597 126.597 126.658 -0.061 18389 9642 1 11 . 1 1 102 102 HIS HA H 102 5.406 5.406 4.791 0.615 18389 9643 1 11 . 1 1 102 102 HIS C C 102 174.479 174.479 174.476 0.003 18389 9644 1 11 . 1 1 102 102 HIS CA C 102 52.912 52.912 56.266 -3.353 18389 9645 1 11 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.245 2.511 18389 9646 1 11 . 1 1 102 102 HIS H H 102 10.029 10.029 8.967 1.062 18389 9647 1 11 . 1 1 103 103 TRP N N 103 125.616 125.616 123.366 2.250 18389 9648 1 11 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.461 -0.430 18389 9649 1 11 . 1 1 103 103 TRP C C 103 173.236 173.236 175.027 -1.791 18389 9650 1 11 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.419 -1.586 18389 9651 1 11 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.303 -3.113 18389 9652 1 11 . 1 1 103 103 TRP H H 103 9.242 9.242 9.072 0.170 18389 9653 1 11 . 1 1 104 104 VAL N N 104 114.086 114.086 117.673 -3.587 18389 9654 1 11 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.602 0.531 18389 9655 1 11 . 1 1 104 104 VAL C C 104 173.194 173.194 173.584 -0.390 18389 9656 1 11 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.345 -2.016 18389 9657 1 11 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.777 -0.334 18389 9658 1 11 . 1 1 104 104 VAL H H 104 10.273 10.273 9.489 0.784 18389 9659 1 11 . 1 1 105 105 TYR N N 105 123.278 123.278 124.625 -1.347 18389 9660 1 11 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.740 -0.080 18389 9661 1 11 . 1 1 105 105 TYR C C 105 172.030 172.030 173.229 -1.199 18389 9662 1 11 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.198 -0.476 18389 9663 1 11 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.150 -0.177 18389 9664 1 11 . 1 1 105 105 TYR H H 105 9.219 9.219 9.118 0.101 18389 9665 1 11 . 1 1 106 106 SER N N 106 123.619 123.619 122.408 1.211 18389 9666 1 11 . 1 1 106 106 SER HA H 106 5.226 5.226 5.107 0.119 18389 9667 1 11 . 1 1 106 106 SER C C 106 170.291 170.291 172.918 -2.627 18389 9668 1 11 . 1 1 106 106 SER CA C 106 56.800 56.800 56.737 0.063 18389 9669 1 11 . 1 1 106 106 SER CB C 106 61.265 61.265 64.485 -3.220 18389 9670 1 11 . 1 1 106 106 SER H H 106 7.768 7.768 8.207 -0.439 18389 9671 1 11 . 1 1 107 107 ILE N N 107 120.192 120.192 119.946 0.246 18389 9672 1 11 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.504 0.255 18389 9673 1 11 . 1 1 107 107 ILE C C 107 171.471 171.471 173.432 -1.961 18389 9674 1 11 . 1 1 107 107 ILE CA C 107 57.011 57.011 58.969 -1.958 18389 9675 1 11 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.559 -1.800 18389 9676 1 11 . 1 1 107 107 ILE H H 107 8.942 8.942 8.650 0.292 18389 9677 1 11 . 1 1 108 108 THR N N 108 118.723 118.723 114.223 4.500 18389 9678 1 11 . 1 1 108 108 THR HA H 108 5.017 5.017 4.659 0.358 18389 9679 1 11 . 1 1 108 108 THR C C 108 170.359 170.359 173.215 -2.856 18389 9680 1 11 . 1 1 108 108 THR CA C 108 56.686 56.686 58.951 -2.265 18389 9681 1 11 . 1 1 108 108 THR CB C 108 67.488 67.488 68.886 -1.398 18389 9682 1 11 . 1 1 108 108 THR H H 108 8.718 8.718 8.104 0.614 18389 9683 1 11 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.564 -0.154 18389 9684 1 11 . 1 1 109 109 PRO C C 109 171.443 171.443 176.429 -4.986 18389 9685 1 11 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.603 -2.780 18389 9686 1 11 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.148 -3.170 18389 9687 1 11 . 1 1 110 110 ASP N N 110 122.785 122.785 121.148 1.637 18389 9688 1 11 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.630 0.518 18389 9689 1 11 . 1 1 110 110 ASP C C 110 174.113 174.113 177.043 -2.930 18389 9690 1 11 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.512 -3.456 18389 9691 1 11 . 1 1 110 110 ASP CB C 110 40.689 40.689 42.555 -1.866 18389 9692 1 11 . 1 1 110 110 ASP H H 110 9.061 9.061 8.610 0.451 18389 9693 1 11 . 1 1 111 111 SER N N 111 112.595 112.595 114.092 -1.497 18389 9694 1 11 . 1 1 111 111 SER HA H 111 4.432 4.432 4.822 -0.390 18389 9695 1 11 . 1 1 111 111 SER CA C 111 58.333 58.333 58.720 -0.387 18389 9696 1 11 . 1 1 111 111 SER CB C 111 61.046 61.046 64.150 -3.104 18389 9697 1 11 . 1 1 111 111 SER H H 111 8.435 8.435 8.488 -0.053 18389 9698 1 11 . 1 1 112 112 SER N N 112 116.615 116.615 116.277 0.338 18389 9699 1 11 . 1 1 112 112 SER HA H 112 4.862 4.862 4.681 0.181 18389 9700 1 11 . 1 1 112 112 SER C C 112 170.519 170.519 173.281 -2.762 18389 9701 1 11 . 1 1 112 112 SER CA C 112 54.017 54.017 57.289 -3.272 18389 9702 1 11 . 1 1 112 112 SER CB C 112 62.948 62.948 65.035 -2.087 18389 9703 1 11 . 1 1 112 112 SER H H 112 8.035 8.035 7.930 0.105 18389 9704 1 11 . 1 1 113 113 TRP N N 113 120.576 120.576 125.433 -4.857 18389 9705 1 11 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.667 -0.113 18389 9706 1 11 . 1 1 113 113 TRP C C 113 174.599 174.599 175.330 -0.731 18389 9707 1 11 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.653 -0.771 18389 9708 1 11 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.126 -1.766 18389 9709 1 11 . 1 1 113 113 TRP H H 113 8.318 8.318 8.415 -0.097 18389 9710 1 11 . 1 1 114 114 LYS N N 114 123.372 123.372 127.620 -4.248 18389 9711 1 11 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.603 0.291 18389 9712 1 11 . 1 1 114 114 LYS C C 114 172.772 172.772 174.388 -1.616 18389 9713 1 11 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.496 -2.548 18389 9714 1 11 . 1 1 114 114 LYS CB C 114 34.250 34.250 36.453 -2.203 18389 9715 1 11 . 1 1 114 114 LYS H H 114 8.782 8.782 8.882 -0.100 18389 9716 1 11 . 1 1 115 115 THR N N 115 120.929 120.929 121.006 -0.077 18389 9717 1 11 . 1 1 115 115 THR HA H 115 5.226 5.226 4.681 0.545 18389 9718 1 11 . 1 1 115 115 THR C C 115 171.778 171.778 174.664 -2.886 18389 9719 1 11 . 1 1 115 115 THR CA C 115 59.671 59.671 62.632 -2.961 18389 9720 1 11 . 1 1 115 115 THR CB C 115 66.938 66.938 68.784 -1.847 18389 9721 1 11 . 1 1 115 115 THR H H 115 8.689 8.689 8.535 0.154 18389 9722 1 11 . 1 1 116 116 ILE N N 116 131.929 131.929 129.845 2.084 18389 9723 1 11 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.199 -0.015 18389 9724 1 11 . 1 1 116 116 ILE C C 116 171.012 171.012 175.205 -4.193 18389 9725 1 11 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.646 -4.289 18389 9726 1 11 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.274 -2.943 18389 9727 1 11 . 1 1 116 116 ILE H H 116 9.470 9.470 9.034 0.436 18389 9728 1 11 . 1 1 117 117 GLU N N 117 124.514 124.514 128.261 -3.747 18389 9729 1 11 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.486 0.384 18389 9730 1 11 . 1 1 117 117 GLU C C 117 173.332 173.332 175.919 -2.587 18389 9731 1 11 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.521 -4.723 18389 9732 1 11 . 1 1 117 117 GLU CB C 117 29.693 29.693 30.149 -0.456 18389 9733 1 11 . 1 1 117 117 GLU H H 117 8.089 8.089 8.304 -0.215 18389 9734 1 11 . 1 1 118 118 ILE N N 118 125.005 125.005 125.839 -0.834 18389 9735 1 11 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.522 -0.099 18389 9736 1 11 . 1 1 118 118 ILE C C 118 171.765 171.765 173.158 -1.393 18389 9737 1 11 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.207 -2.567 18389 9738 1 11 . 1 1 118 118 ILE CB C 118 37.429 37.429 41.026 -3.597 18389 9739 1 11 . 1 1 118 118 ILE H H 118 9.322 9.322 8.778 0.544 18389 9740 1 11 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.740 0.097 18389 9741 1 11 . 1 1 119 119 PRO C C 119 176.780 176.780 178.191 -1.411 18389 9742 1 11 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.935 -2.531 18389 9743 1 11 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.534 -3.469 18389 9744 1 11 . 1 1 120 120 PHE N N 120 124.627 124.627 120.021 4.606 18389 9745 1 11 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.394 0.600 18389 9746 1 11 . 1 1 120 120 PHE C C 120 175.402 175.402 178.327 -2.925 18389 9747 1 11 . 1 1 120 120 PHE CA C 120 59.272 59.272 59.448 -0.176 18389 9748 1 11 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.595 -2.350 18389 9749 1 11 . 1 1 120 120 PHE H H 120 8.160 8.160 8.584 -0.424 18389 9750 1 11 . 1 1 121 121 SER N N 121 110.551 110.551 114.534 -3.983 18389 9751 1 11 . 1 1 121 121 SER HA H 121 4.647 4.647 4.423 0.224 18389 9752 1 11 . 1 1 121 121 SER C C 121 173.187 173.187 175.407 -2.220 18389 9753 1 11 . 1 1 121 121 SER CA C 121 57.359 57.359 60.909 -3.550 18389 9754 1 11 . 1 1 121 121 SER CB C 121 60.639 60.639 62.555 -1.916 18389 9755 1 11 . 1 1 121 121 SER H H 121 8.367 8.367 8.639 -0.272 18389 9756 1 11 . 1 1 122 122 SER N N 122 117.166 117.166 116.677 0.489 18389 9757 1 11 . 1 1 122 122 SER HA H 122 4.946 4.946 4.436 0.510 18389 9758 1 11 . 1 1 122 122 SER C C 122 172.296 172.296 173.491 -1.195 18389 9759 1 11 . 1 1 122 122 SER CA C 122 57.525 57.525 59.214 -1.689 18389 9760 1 11 . 1 1 122 122 SER CB C 122 61.716 61.716 63.886 -2.171 18389 9761 1 11 . 1 1 122 122 SER H H 122 8.537 8.537 7.699 0.838 18389 9762 1 11 . 1 1 123 123 PHE N N 123 119.840 119.840 120.581 -0.741 18389 9763 1 11 . 1 1 123 123 PHE HA H 123 4.647 4.647 5.160 -0.513 18389 9764 1 11 . 1 1 123 123 PHE C C 123 173.527 173.527 175.833 -2.306 18389 9765 1 11 . 1 1 123 123 PHE CA C 123 58.778 58.778 58.514 0.264 18389 9766 1 11 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.649 -2.102 18389 9767 1 11 . 1 1 123 123 PHE H H 123 7.807 7.807 7.651 0.156 18389 9768 1 11 . 1 1 124 124 ARG N N 124 120.098 120.098 120.939 -0.841 18389 9769 1 11 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.035 0.306 18389 9770 1 11 . 1 1 124 124 ARG C C 124 172.631 172.631 174.803 -2.172 18389 9771 1 11 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.092 -2.767 18389 9772 1 11 . 1 1 124 124 ARG CB C 124 30.721 30.721 35.319 -4.598 18389 9773 1 11 . 1 1 124 124 ARG H H 124 9.297 9.297 9.135 0.162 18389 9774 1 11 . 1 1 125 125 ARG N N 125 126.739 126.739 121.681 5.058 18389 9775 1 11 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.341 -0.379 18389 9776 1 11 . 1 1 125 125 ARG C C 125 174.319 174.319 175.836 -1.517 18389 9777 1 11 . 1 1 125 125 ARG CA C 125 55.036 55.036 56.186 -1.150 18389 9778 1 11 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.374 -3.026 18389 9779 1 11 . 1 1 125 125 ARG H H 125 8.611 8.611 8.483 0.128 18389 9780 1 11 . 1 1 126 126 ARG N N 126 126.556 126.556 125.886 0.670 18389 9781 1 11 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.125 -0.161 18389 9782 1 11 . 1 1 126 126 ARG C C 126 174.021 174.021 175.161 -1.140 18389 9783 1 11 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.211 -0.673 18389 9784 1 11 . 1 1 126 126 ARG CB C 126 29.739 29.739 29.885 -0.146 18389 9785 1 11 . 1 1 126 126 ARG H H 126 7.917 7.917 8.048 -0.131 18389 9786 1 11 . 1 1 127 127 LEU N N 127 124.550 124.550 124.078 0.472 18389 9787 1 11 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.447 0.207 18389 9788 1 11 . 1 1 127 127 LEU C C 127 175.775 175.775 176.770 -0.995 18389 9789 1 11 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.183 -1.975 18389 9790 1 11 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.772 -1.394 18389 9791 1 11 . 1 1 127 127 LEU H H 127 8.817 8.817 8.422 0.395 18389 9792 1 11 . 1 1 128 128 ASP N N 128 116.209 116.209 119.182 -2.973 18389 9793 1 11 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.538 0.011 18389 9794 1 11 . 1 1 128 128 ASP C C 128 172.491 172.491 175.838 -3.347 18389 9795 1 11 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.674 -3.182 18389 9796 1 11 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.257 -4.675 18389 9797 1 11 . 1 1 128 128 ASP H H 128 9.072 9.072 8.154 0.918 18389 9798 1 11 . 1 1 129 129 TYR N N 129 119.329 119.329 119.731 -0.402 18389 9799 1 11 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.548 -0.195 18389 9800 1 11 . 1 1 129 129 TYR C C 129 169.992 169.992 173.347 -3.355 18389 9801 1 11 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.483 -1.138 18389 9802 1 11 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.039 -1.592 18389 9803 1 11 . 1 1 129 129 TYR H H 129 7.002 7.002 7.524 -0.522 18389 9804 1 11 . 1 1 130 130 GLN N N 130 121.469 121.469 124.125 -2.656 18389 9805 1 11 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.433 -0.524 18389 9806 1 11 . 1 1 130 130 GLN C C 130 170.223 170.223 173.202 -2.979 18389 9807 1 11 . 1 1 130 130 GLN CA C 130 49.789 49.789 53.067 -3.278 18389 9808 1 11 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.247 -1.622 18389 9809 1 11 . 1 1 130 130 GLN H H 130 6.288 6.288 8.103 -1.815 18389 9810 1 11 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.246 0.164 18389 9811 1 11 . 1 1 132 132 PRO C C 132 175.720 175.720 177.452 -1.732 18389 9812 1 11 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.554 -2.481 18389 9813 1 11 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.716 -2.601 18389 9814 1 11 . 1 1 133 133 GLY N N 133 104.558 104.558 107.437 -2.879 18389 9815 1 11 . 1 1 133 133 GLY C C 133 171.229 171.229 173.871 -2.642 18389 9816 1 11 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.138 -1.623 18389 9817 1 11 . 1 1 133 133 GLY H H 133 8.298 8.298 8.698 -0.400 18389 9818 1 11 . 1 1 134 134 GLN N N 134 116.684 116.684 120.072 -3.388 18389 9819 1 11 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.194 0.173 18389 9820 1 11 . 1 1 134 134 GLN C C 134 172.815 172.815 175.559 -2.744 18389 9821 1 11 . 1 1 134 134 GLN CA C 134 53.804 53.804 56.018 -2.214 18389 9822 1 11 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.214 -4.348 18389 9823 1 11 . 1 1 134 134 GLN H H 134 7.273 7.273 7.414 -0.141 18389 9824 1 11 . 1 1 135 135 ASP N N 135 118.688 118.688 121.712 -3.024 18389 9825 1 11 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.401 -0.039 18389 9826 1 11 . 1 1 135 135 ASP C C 135 174.301 174.301 176.913 -2.612 18389 9827 1 11 . 1 1 135 135 ASP CA C 135 51.810 51.810 55.042 -3.232 18389 9828 1 11 . 1 1 135 135 ASP CB C 135 36.904 36.904 40.441 -3.537 18389 9829 1 11 . 1 1 135 135 ASP H H 135 8.844 8.844 8.603 0.241 18389 9830 1 11 . 1 1 136 136 MET N N 136 114.721 114.721 112.493 2.228 18389 9831 1 11 . 1 1 136 136 MET HA H 136 4.035 4.035 4.250 -0.215 18389 9832 1 11 . 1 1 136 136 MET C C 136 174.252 174.252 175.655 -1.403 18389 9833 1 11 . 1 1 136 136 MET CA C 136 54.461 54.461 56.589 -2.127 18389 9834 1 11 . 1 1 136 136 MET CB C 136 29.439 29.439 29.848 -0.409 18389 9835 1 11 . 1 1 136 136 MET H H 136 7.585 7.585 7.653 -0.068 18389 9836 1 11 . 1 1 137 137 SER N N 137 118.130 118.130 115.515 2.615 18389 9837 1 11 . 1 1 137 137 SER HA H 137 4.392 4.392 4.495 -0.103 18389 9838 1 11 . 1 1 137 137 SER C C 137 174.811 174.811 176.257 -1.446 18389 9839 1 11 . 1 1 137 137 SER CA C 137 57.841 57.841 58.706 -0.866 18389 9840 1 11 . 1 1 137 137 SER CB C 137 62.369 62.369 63.966 -1.597 18389 9841 1 11 . 1 1 137 137 SER H H 137 9.140 9.140 8.199 0.941 18389 9842 1 11 . 1 1 138 138 GLY N N 138 114.534 114.534 110.789 3.745 18389 9843 1 11 . 1 1 138 138 GLY C C 138 170.903 170.903 174.213 -3.310 18389 9844 1 11 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.982 -1.785 18389 9845 1 11 . 1 1 138 138 GLY H H 138 10.549 10.549 8.237 2.312 18389 9846 1 11 . 1 1 139 139 THR N N 139 112.564 112.564 116.414 -3.850 18389 9847 1 11 . 1 1 139 139 THR HA H 139 4.538 4.538 4.557 -0.019 18389 9848 1 11 . 1 1 139 139 THR C C 139 168.086 168.086 173.306 -5.220 18389 9849 1 11 . 1 1 139 139 THR CA C 139 57.132 57.132 61.107 -3.975 18389 9850 1 11 . 1 1 139 139 THR CB C 139 68.854 68.854 71.544 -2.690 18389 9851 1 11 . 1 1 139 139 THR H H 139 8.504 8.504 7.726 0.778 18389 9852 1 11 . 1 1 140 140 LEU N N 140 129.971 129.971 126.919 3.052 18389 9853 1 11 . 1 1 140 140 LEU HA H 140 3.771 3.771 3.626 0.145 18389 9854 1 11 . 1 1 140 140 LEU C C 140 172.175 172.175 175.785 -3.610 18389 9855 1 11 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.528 -2.193 18389 9856 1 11 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.077 -5.205 18389 9857 1 11 . 1 1 140 140 LEU H H 140 7.900 7.900 8.108 -0.208 18389 9858 1 11 . 1 1 141 141 ASP N N 141 132.200 132.200 129.413 2.787 18389 9859 1 11 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.753 -0.049 18389 9860 1 11 . 1 1 141 141 ASP C C 141 172.137 172.137 176.545 -4.408 18389 9861 1 11 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.750 -2.058 18389 9862 1 11 . 1 1 141 141 ASP CB C 141 38.561 38.561 40.873 -2.312 18389 9863 1 11 . 1 1 141 141 ASP H H 141 9.101 9.101 9.011 0.090 18389 9864 1 11 . 1 1 142 142 LEU N N 142 122.667 122.667 119.199 3.468 18389 9865 1 11 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.895 -0.155 18389 9866 1 11 . 1 1 142 142 LEU CA C 142 53.747 53.747 57.431 -3.684 18389 9867 1 11 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.419 -1.521 18389 9868 1 11 . 1 1 142 142 LEU H H 142 7.799 7.799 7.667 0.132 18389 9869 1 11 . 1 1 143 143 ASP N N 143 112.789 112.789 117.484 -4.695 18389 9870 1 11 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.294 0.622 18389 9871 1 11 . 1 1 143 143 ASP C C 143 173.547 173.547 176.109 -2.562 18389 9872 1 11 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.216 -5.115 18389 9873 1 11 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.552 -3.254 18389 9874 1 11 . 1 1 143 143 ASP H H 143 8.473 8.473 8.387 0.086 18389 9875 1 11 . 1 1 144 144 ASN N N 144 120.743 120.743 116.155 4.588 18389 9876 1 11 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.804 0.275 18389 9877 1 11 . 1 1 144 144 ASN C C 144 171.278 171.278 173.305 -2.027 18389 9878 1 11 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.070 -2.596 18389 9879 1 11 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.423 -1.244 18389 9880 1 11 . 1 1 144 144 ASN H H 144 7.867 7.867 7.542 0.325 18389 9881 1 11 . 1 1 145 145 ILE N N 145 122.844 122.844 120.059 2.785 18389 9882 1 11 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.445 -0.605 18389 9883 1 11 . 1 1 145 145 ILE C C 145 172.420 172.420 175.758 -3.338 18389 9884 1 11 . 1 1 145 145 ILE CA C 145 57.861 57.861 60.526 -2.665 18389 9885 1 11 . 1 1 145 145 ILE CB C 145 33.407 33.407 38.820 -5.413 18389 9886 1 11 . 1 1 145 145 ILE H H 145 8.770 8.770 7.277 1.493 18389 9887 1 11 . 1 1 146 146 ASP N N 146 125.428 125.428 126.415 -0.987 18389 9888 1 11 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.745 -0.092 18389 9889 1 11 . 1 1 146 146 ASP C C 146 172.931 172.931 175.337 -2.406 18389 9890 1 11 . 1 1 146 146 ASP CA C 146 53.352 53.352 54.449 -1.097 18389 9891 1 11 . 1 1 146 146 ASP CB C 146 43.912 43.912 44.224 -0.312 18389 9892 1 11 . 1 1 146 146 ASP H H 146 9.355 9.355 9.075 0.280 18389 9893 1 11 . 1 1 147 147 SER N N 147 108.442 108.442 111.940 -3.498 18389 9894 1 11 . 1 1 147 147 SER HA H 147 5.054 5.054 5.077 -0.023 18389 9895 1 11 . 1 1 147 147 SER C C 147 169.957 169.957 172.524 -2.567 18389 9896 1 11 . 1 1 147 147 SER CA C 147 54.584 54.584 57.661 -3.077 18389 9897 1 11 . 1 1 147 147 SER CB C 147 62.518 62.518 66.321 -3.803 18389 9898 1 11 . 1 1 147 147 SER H H 147 7.927 7.927 7.629 0.298 18389 9899 1 11 . 1 1 148 148 ILE N N 148 110.150 110.150 114.294 -4.144 18389 9900 1 11 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.364 0.285 18389 9901 1 11 . 1 1 148 148 ILE C C 148 171.932 171.932 174.312 -2.380 18389 9902 1 11 . 1 1 148 148 ILE CA C 148 56.622 56.622 58.946 -2.324 18389 9903 1 11 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.890 -3.177 18389 9904 1 11 . 1 1 148 148 ILE H H 148 8.043 8.043 8.688 -0.645 18389 9905 1 11 . 1 1 149 149 HIS N N 149 118.612 118.612 119.709 -1.097 18389 9906 1 11 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.473 1.017 18389 9907 1 11 . 1 1 149 149 HIS C C 149 174.287 174.287 174.285 0.002 18389 9908 1 11 . 1 1 149 149 HIS CA C 149 51.902 51.902 55.183 -3.281 18389 9909 1 11 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.815 -0.856 18389 9910 1 11 . 1 1 149 149 HIS H H 149 9.331 9.331 8.405 0.926 18389 9911 1 11 . 1 1 150 150 PHE N N 150 117.037 117.037 124.133 -7.096 18389 9912 1 11 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.898 0.632 18389 9913 1 11 . 1 1 150 150 PHE C C 150 172.808 172.808 173.943 -1.135 18389 9914 1 11 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.998 -1.495 18389 9915 1 11 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.347 -1.067 18389 9916 1 11 . 1 1 150 150 PHE H H 150 8.788 8.788 8.536 0.252 18389 9917 1 11 . 1 1 151 151 MET N N 151 119.781 119.781 125.342 -5.561 18389 9918 1 11 . 1 1 151 151 MET HA H 151 4.664 4.664 4.313 0.351 18389 9919 1 11 . 1 1 151 151 MET C C 151 170.282 170.282 173.982 -3.700 18389 9920 1 11 . 1 1 151 151 MET CA C 151 52.146 52.146 53.444 -1.298 18389 9921 1 11 . 1 1 151 151 MET CB C 151 34.947 34.947 36.576 -1.629 18389 9922 1 11 . 1 1 151 151 MET H H 151 9.761 9.761 7.872 1.889 18389 9923 1 11 . 1 1 152 152 TYR N N 152 117.149 117.149 118.896 -1.747 18389 9924 1 11 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.308 -0.232 18389 9925 1 11 . 1 1 152 152 TYR C C 152 171.554 171.554 173.863 -2.309 18389 9926 1 11 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.732 -1.387 18389 9927 1 11 . 1 1 152 152 TYR CB C 152 36.904 36.904 38.071 -1.167 18389 9928 1 11 . 1 1 152 152 TYR H H 152 6.275 6.275 8.072 -1.797 18389 9929 1 11 . 1 1 153 153 ALA N N 153 121.523 121.523 124.645 -3.122 18389 9930 1 11 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.446 -0.283 18389 9931 1 11 . 1 1 153 153 ALA C C 153 173.777 173.777 175.568 -1.791 18389 9932 1 11 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.853 -2.668 18389 9933 1 11 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.669 0.296 18389 9934 1 11 . 1 1 153 153 ALA H H 153 10.019 10.019 8.059 1.960 18389 9935 1 11 . 1 1 154 154 ASN N N 154 114.643 114.643 115.692 -1.049 18389 9936 1 11 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.911 0.273 18389 9937 1 11 . 1 1 154 154 ASN C C 154 173.267 173.267 173.882 -0.615 18389 9938 1 11 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.842 -2.926 18389 9939 1 11 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.545 -3.832 18389 9940 1 11 . 1 1 154 154 ASN H H 154 8.141 8.141 8.014 0.127 18389 9941 1 11 . 1 1 156 156 LYS N N 156 119.099 119.099 119.637 -0.538 18389 9942 1 11 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.686 0.052 18389 9943 1 11 . 1 1 156 156 LYS C C 156 173.965 173.965 175.515 -1.550 18389 9944 1 11 . 1 1 156 156 LYS CA C 156 53.872 53.872 54.612 -0.740 18389 9945 1 11 . 1 1 156 156 LYS CB C 156 30.426 30.426 35.861 -5.434 18389 9946 1 11 . 1 1 156 156 LYS H H 156 8.298 8.298 8.653 -0.355 18389 9947 1 11 . 1 1 157 157 SER N N 157 115.584 115.584 114.025 1.559 18389 9948 1 11 . 1 1 157 157 SER HA H 157 5.055 5.055 3.685 1.370 18389 9949 1 11 . 1 1 157 157 SER C C 157 169.925 169.925 173.981 -4.056 18389 9950 1 11 . 1 1 157 157 SER CA C 157 55.617 55.617 58.940 -3.323 18389 9951 1 11 . 1 1 157 157 SER CB C 157 63.180 63.180 63.773 -0.593 18389 9952 1 11 . 1 1 157 157 SER H H 157 8.240 8.240 8.404 -0.164 18389 9953 1 11 . 1 1 158 158 GLY N N 158 108.219 108.219 106.677 1.542 18389 9954 1 11 . 1 1 158 158 GLY C C 158 168.322 168.322 171.570 -3.248 18389 9955 1 11 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.202 -1.637 18389 9956 1 11 . 1 1 158 158 GLY H H 158 6.942 6.942 7.898 -0.956 18389 9957 1 11 . 1 1 159 159 LYS N N 159 116.608 116.608 119.975 -3.367 18389 9958 1 11 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.576 -0.055 18389 9959 1 11 . 1 1 159 159 LYS C C 159 172.966 172.966 175.397 -2.431 18389 9960 1 11 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.901 -1.760 18389 9961 1 11 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.452 -1.747 18389 9962 1 11 . 1 1 159 159 LYS H H 159 7.925 7.925 8.630 -0.705 18389 9963 1 11 . 1 1 160 160 PHE N N 160 121.804 121.804 119.597 2.207 18389 9964 1 11 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.104 0.421 18389 9965 1 11 . 1 1 160 160 PHE C C 160 168.125 168.125 172.194 -4.069 18389 9966 1 11 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.482 -3.167 18389 9967 1 11 . 1 1 160 160 PHE CB C 160 39.051 39.051 42.194 -3.143 18389 9968 1 11 . 1 1 160 160 PHE H H 160 8.834 8.834 9.041 -0.207 18389 9969 1 11 . 1 1 161 161 VAL N N 161 119.787 119.787 114.461 5.326 18389 9970 1 11 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.206 0.172 18389 9971 1 11 . 1 1 161 161 VAL C C 161 170.736 170.736 174.031 -3.295 18389 9972 1 11 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.827 -3.171 18389 9973 1 11 . 1 1 161 161 VAL CB C 161 31.937 31.937 34.294 -2.357 18389 9974 1 11 . 1 1 161 161 VAL H H 161 9.277 9.277 9.153 0.124 18389 9975 1 11 . 1 1 162 162 VAL N N 162 121.357 121.357 122.049 -0.692 18389 9976 1 11 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.163 0.804 18389 9977 1 11 . 1 1 162 162 VAL C C 162 170.928 170.928 173.566 -2.638 18389 9978 1 11 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.808 -4.122 18389 9979 1 11 . 1 1 162 162 VAL CB C 162 33.842 33.842 36.186 -2.344 18389 9980 1 11 . 1 1 162 162 VAL H H 162 8.453 8.453 8.723 -0.270 18389 9981 1 11 . 1 1 163 163 ASP N N 163 119.088 119.088 126.848 -7.760 18389 9982 1 11 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.356 0.223 18389 9983 1 11 . 1 1 163 163 ASP C C 163 172.563 172.563 174.796 -2.233 18389 9984 1 11 . 1 1 163 163 ASP CA C 163 49.482 49.482 51.939 -2.457 18389 9985 1 11 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.117 -2.655 18389 9986 1 11 . 1 1 163 163 ASP H H 163 9.233 9.233 8.790 0.443 18389 9987 1 11 . 1 1 164 164 ASN N N 164 117.316 117.316 116.441 0.875 18389 9988 1 11 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.504 0.145 18389 9989 1 11 . 1 1 164 164 ASN C C 164 170.940 170.940 174.550 -3.610 18389 9990 1 11 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.661 -1.989 18389 9991 1 11 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.344 -1.949 18389 9992 1 11 . 1 1 164 164 ASN H H 164 9.864 9.864 9.128 0.736 18389 9993 1 11 . 1 1 165 165 ILE N N 165 118.660 118.660 120.045 -1.385 18389 9994 1 11 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.598 0.841 18389 9995 1 11 . 1 1 165 165 ILE C C 165 173.336 173.336 175.194 -1.858 18389 9996 1 11 . 1 1 165 165 ILE CA C 165 59.155 59.155 61.850 -2.695 18389 9997 1 11 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.865 -2.678 18389 9998 1 11 . 1 1 165 165 ILE H H 165 8.716 8.716 8.331 0.385 18389 9999 1 11 . 1 1 166 166 LYS N N 166 127.896 127.896 125.242 2.654 18389 10000 1 11 . 1 1 166 166 LYS HA H 166 5.178 5.178 4.879 0.299 18389 10001 1 11 . 1 1 166 166 LYS C C 166 170.453 170.453 174.101 -3.648 18389 10002 1 11 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.185 -1.661 18389 10003 1 11 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.708 -1.462 18389 10004 1 11 . 1 1 166 166 LYS H H 166 9.921 9.921 9.079 0.842 18389 10005 1 11 . 1 1 167 167 LEU N N 167 120.747 120.747 119.663 1.084 18389 10006 1 11 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.944 -0.108 18389 10007 1 11 . 1 1 167 167 LEU C C 167 173.703 173.703 175.142 -1.439 18389 10008 1 11 . 1 1 167 167 LEU CA C 167 50.579 50.579 52.831 -2.252 18389 10009 1 11 . 1 1 167 167 LEU CB C 167 40.711 40.711 44.084 -3.373 18389 10010 1 11 . 1 1 167 167 LEU H H 167 8.552 8.552 8.057 0.495 18389 10011 1 11 . 1 1 168 168 ILE N N 168 116.914 116.914 118.263 -1.349 18389 10012 1 11 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.808 0.181 18389 10013 1 11 . 1 1 168 168 ILE C C 168 173.923 173.923 175.838 -1.915 18389 10014 1 11 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.559 -1.183 18389 10015 1 11 . 1 1 168 168 ILE CB C 168 38.938 38.938 40.767 -1.829 18389 10016 1 11 . 1 1 168 168 ILE H H 168 8.523 8.523 8.827 -0.304 18389 10017 1 11 . 1 1 169 169 GLY N N 169 114.527 114.527 111.750 2.777 18389 10018 1 11 . 1 1 169 169 GLY C C 169 169.252 169.252 173.576 -4.324 18389 10019 1 11 . 1 1 169 169 GLY CA C 169 42.925 42.925 45.103 -2.178 18389 10020 1 11 . 1 1 169 169 GLY H H 169 8.942 8.942 9.294 -0.352 18389 10021 1 11 . 1 1 170 170 ALA N N 170 123.678 123.678 123.066 0.612 18389 10022 1 11 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.726 -0.302 18389 10023 1 11 . 1 1 170 170 ALA C C 170 174.985 174.985 177.934 -2.949 18389 10024 1 11 . 1 1 170 170 ALA CA C 170 49.344 49.344 50.565 -1.220 18389 10025 1 11 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.802 -3.715 18389 10026 1 11 . 1 1 170 170 ALA H H 170 8.321 8.321 7.534 0.787 18389 10027 1 11 . 1 1 171 171 LEU N N 171 122.139 122.139 121.974 0.165 18389 10028 1 11 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.470 -0.065 18389 10029 1 11 . 1 1 171 171 LEU C C 171 174.478 174.478 176.221 -1.743 18389 10030 1 11 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.720 -2.086 18389 10031 1 11 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.040 -0.929 18389 10032 1 11 . 1 1 171 171 LEU H H 171 8.182 8.182 8.480 -0.298 18389 10033 1 12 . 1 1 2 2 ALA N N 2 119.048 119.048 125.411 -6.363 18389 10034 1 12 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.928 -0.644 18389 10035 1 12 . 1 1 2 2 ALA C C 2 174.144 174.144 176.896 -2.752 18389 10036 1 12 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.955 -3.572 18389 10037 1 12 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.030 -0.201 18389 10038 1 12 . 1 1 2 2 ALA H H 2 9.577 9.577 8.580 0.997 18389 10039 1 12 . 1 1 3 3 SER N N 3 114.278 114.278 118.456 -4.178 18389 10040 1 12 . 1 1 3 3 SER C C 3 173.040 173.040 173.815 -0.775 18389 10041 1 12 . 1 1 3 3 SER H H 3 8.152 8.152 8.590 -0.438 18389 10042 1 12 . 1 1 6 6 GLY N N 6 112.362 112.362 108.677 3.685 18389 10043 1 12 . 1 1 6 6 GLY C C 6 170.686 170.686 172.667 -1.981 18389 10044 1 12 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.397 -2.084 18389 10045 1 12 . 1 1 6 6 GLY H H 6 8.750 8.750 7.940 0.810 18389 10046 1 12 . 1 1 7 7 GLU N N 7 117.722 117.722 120.620 -2.898 18389 10047 1 12 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.734 -0.305 18389 10048 1 12 . 1 1 7 7 GLU C C 7 172.744 172.744 175.671 -2.927 18389 10049 1 12 . 1 1 7 7 GLU CA C 7 52.248 52.248 55.023 -2.775 18389 10050 1 12 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.125 -1.955 18389 10051 1 12 . 1 1 7 7 GLU H H 7 8.078 8.078 8.151 -0.073 18389 10052 1 12 . 1 1 8 8 LYS N N 8 122.832 122.832 120.536 2.296 18389 10053 1 12 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.712 -0.173 18389 10054 1 12 . 1 1 8 8 LYS C C 8 171.963 171.963 174.759 -2.796 18389 10055 1 12 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.671 -2.106 18389 10056 1 12 . 1 1 8 8 LYS CB C 8 33.185 33.185 34.643 -1.458 18389 10057 1 12 . 1 1 8 8 LYS H H 8 8.434 8.434 8.632 -0.198 18389 10058 1 12 . 1 1 9 9 MET N N 9 128.562 128.562 123.333 5.229 18389 10059 1 12 . 1 1 9 9 MET HA H 9 4.536 4.536 4.371 0.165 18389 10060 1 12 . 1 1 9 9 MET C C 9 172.911 172.911 175.078 -2.167 18389 10061 1 12 . 1 1 9 9 MET CA C 9 53.012 53.012 55.763 -2.751 18389 10062 1 12 . 1 1 9 9 MET CB C 9 28.376 28.376 32.789 -4.413 18389 10063 1 12 . 1 1 9 9 MET H H 9 8.984 8.984 8.675 0.309 18389 10064 1 12 . 1 1 10 10 LEU N N 10 129.881 129.881 125.652 4.229 18389 10065 1 12 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.681 -0.017 18389 10066 1 12 . 1 1 10 10 LEU C C 10 174.887 174.887 176.797 -1.910 18389 10067 1 12 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.469 -2.256 18389 10068 1 12 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.680 -3.281 18389 10069 1 12 . 1 1 10 10 LEU H H 10 9.751 9.751 8.741 1.010 18389 10070 1 12 . 1 1 11 11 ASP N N 11 115.516 115.516 116.918 -1.402 18389 10071 1 12 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.757 -0.034 18389 10072 1 12 . 1 1 11 11 ASP C C 11 170.836 170.836 174.121 -3.285 18389 10073 1 12 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.960 -0.377 18389 10074 1 12 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.826 -3.607 18389 10075 1 12 . 1 1 11 11 ASP H H 11 8.110 8.110 7.841 0.269 18389 10076 1 12 . 1 1 12 12 ASP N N 12 124.144 124.144 124.843 -0.699 18389 10077 1 12 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.669 0.182 18389 10078 1 12 . 1 1 12 12 ASP C C 12 175.055 175.055 176.069 -1.014 18389 10079 1 12 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.252 -1.942 18389 10080 1 12 . 1 1 12 12 ASP CB C 12 38.195 38.195 40.514 -2.319 18389 10081 1 12 . 1 1 12 12 ASP H H 12 8.053 8.053 8.628 -0.575 18389 10082 1 12 . 1 1 13 13 PHE N N 13 117.584 117.584 113.512 4.072 18389 10083 1 12 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.465 -0.193 18389 10084 1 12 . 1 1 13 13 PHE C C 13 171.960 171.960 175.554 -3.594 18389 10085 1 12 . 1 1 13 13 PHE CA C 13 58.913 58.913 58.977 -0.064 18389 10086 1 12 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.410 -4.235 18389 10087 1 12 . 1 1 13 13 PHE H H 13 9.327 9.327 7.440 1.887 18389 10088 1 12 . 1 1 14 14 GLU N N 14 113.122 113.122 117.478 -4.356 18389 10089 1 12 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.537 0.512 18389 10090 1 12 . 1 1 14 14 GLU C C 14 175.300 175.300 178.066 -2.766 18389 10091 1 12 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.377 -5.396 18389 10092 1 12 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.916 -4.922 18389 10093 1 12 . 1 1 14 14 GLU H H 14 8.165 8.165 8.416 -0.251 18389 10094 1 12 . 1 1 15 15 GLY N N 15 110.108 110.108 109.394 0.714 18389 10095 1 12 . 1 1 15 15 GLY C C 15 171.609 171.609 174.557 -2.948 18389 10096 1 12 . 1 1 15 15 GLY CA C 15 41.854 41.854 45.063 -3.209 18389 10097 1 12 . 1 1 15 15 GLY H H 15 8.117 8.117 8.115 0.002 18389 10098 1 12 . 1 1 16 16 VAL N N 16 121.792 121.792 119.734 2.058 18389 10099 1 12 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.171 0.100 18389 10100 1 12 . 1 1 16 16 VAL C C 16 173.203 173.203 175.214 -2.011 18389 10101 1 12 . 1 1 16 16 VAL CA C 16 59.283 59.283 61.541 -2.258 18389 10102 1 12 . 1 1 16 16 VAL CB C 16 30.201 30.201 33.419 -3.218 18389 10103 1 12 . 1 1 16 16 VAL H H 16 8.190 8.190 7.908 0.282 18389 10104 1 12 . 1 1 17 17 LEU N N 17 124.682 124.682 125.986 -1.304 18389 10105 1 12 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.475 0.423 18389 10106 1 12 . 1 1 17 17 LEU C C 17 174.685 174.685 176.514 -1.829 18389 10107 1 12 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.555 -2.757 18389 10108 1 12 . 1 1 17 17 LEU CB C 17 39.136 39.136 43.097 -3.961 18389 10109 1 12 . 1 1 17 17 LEU H H 17 8.500 8.500 8.476 0.024 18389 10110 1 12 . 1 1 18 18 ASN N N 18 127.589 127.589 120.352 7.237 18389 10111 1 12 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.463 0.684 18389 10112 1 12 . 1 1 18 18 ASN C C 18 171.583 171.583 173.399 -1.816 18389 10113 1 12 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.283 -1.306 18389 10114 1 12 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.327 -1.184 18389 10115 1 12 . 1 1 18 18 ASN H H 18 9.956 9.956 8.478 1.478 18389 10116 1 12 . 1 1 19 19 TRP N N 19 119.913 119.913 118.998 0.915 18389 10117 1 12 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.122 -0.064 18389 10118 1 12 . 1 1 19 19 TRP C C 19 174.918 174.918 176.230 -1.312 18389 10119 1 12 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.819 -0.443 18389 10120 1 12 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.896 -4.496 18389 10121 1 12 . 1 1 19 19 TRP H H 19 7.057 7.057 7.284 -0.227 18389 10122 1 12 . 1 1 20 20 GLY N N 20 112.934 112.934 109.858 3.076 18389 10123 1 12 . 1 1 20 20 GLY C C 20 171.436 171.436 173.143 -1.707 18389 10124 1 12 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.103 -4.163 18389 10125 1 12 . 1 1 20 20 GLY H H 20 9.622 9.622 8.910 0.712 18389 10126 1 12 . 1 1 21 21 SER N N 21 114.752 114.752 115.361 -0.609 18389 10127 1 12 . 1 1 21 21 SER HA H 21 5.686 5.686 5.411 0.275 18389 10128 1 12 . 1 1 21 21 SER C C 21 170.314 170.314 173.380 -3.066 18389 10129 1 12 . 1 1 21 21 SER CA C 21 55.911 55.911 57.547 -1.635 18389 10130 1 12 . 1 1 21 21 SER CB C 21 64.070 64.070 66.843 -2.773 18389 10131 1 12 . 1 1 21 21 SER H H 21 8.899 8.899 8.556 0.343 18389 10132 1 12 . 1 1 22 22 TYR N N 22 118.001 118.001 120.275 -2.274 18389 10133 1 12 . 1 1 22 22 TYR HA H 22 5.300 5.300 5.049 0.251 18389 10134 1 12 . 1 1 22 22 TYR C C 22 170.760 170.760 172.923 -2.163 18389 10135 1 12 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.333 -3.683 18389 10136 1 12 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.724 -2.900 18389 10137 1 12 . 1 1 22 22 TYR H H 22 8.807 8.807 8.647 0.160 18389 10138 1 12 . 1 1 23 23 SER N N 23 109.826 109.826 116.619 -6.793 18389 10139 1 12 . 1 1 23 23 SER HA H 23 4.912 4.912 5.469 -0.557 18389 10140 1 12 . 1 1 23 23 SER C C 23 169.918 169.918 173.173 -3.255 18389 10141 1 12 . 1 1 23 23 SER CA C 23 55.664 55.664 57.200 -1.536 18389 10142 1 12 . 1 1 23 23 SER CB C 23 62.361 62.361 66.811 -4.450 18389 10143 1 12 . 1 1 23 23 SER H H 23 8.435 8.435 8.710 -0.275 18389 10144 1 12 . 1 1 24 24 GLY N N 24 103.788 103.788 107.395 -3.607 18389 10145 1 12 . 1 1 24 24 GLY C C 24 170.240 170.240 172.827 -2.587 18389 10146 1 12 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.448 -2.681 18389 10147 1 12 . 1 1 24 24 GLY H H 24 7.339 7.339 8.584 -1.245 18389 10148 1 12 . 1 1 25 25 GLU N N 25 116.420 116.420 119.671 -3.251 18389 10149 1 12 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.968 0.141 18389 10150 1 12 . 1 1 25 25 GLU C C 25 173.683 173.683 176.804 -3.121 18389 10151 1 12 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.388 -3.700 18389 10152 1 12 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.123 -2.977 18389 10153 1 12 . 1 1 25 25 GLU H H 25 8.962 8.962 8.839 0.123 18389 10154 1 12 . 1 1 26 26 GLY N N 26 106.660 106.660 102.657 4.003 18389 10155 1 12 . 1 1 26 26 GLY C C 26 171.638 171.638 174.491 -2.853 18389 10156 1 12 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.919 -1.746 18389 10157 1 12 . 1 1 26 26 GLY H H 26 8.483 8.483 8.319 0.164 18389 10158 1 12 . 1 1 27 27 ALA N N 27 123.407 123.407 123.783 -0.376 18389 10159 1 12 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.495 0.152 18389 10160 1 12 . 1 1 27 27 ALA C C 27 174.232 174.232 176.001 -1.769 18389 10161 1 12 . 1 1 27 27 ALA CA C 27 49.563 49.563 52.084 -2.522 18389 10162 1 12 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.572 -3.034 18389 10163 1 12 . 1 1 27 27 ALA H H 27 7.182 7.182 7.543 -0.361 18389 10164 1 12 . 1 1 28 28 LYS N N 28 117.590 117.590 120.076 -2.486 18389 10165 1 12 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.745 0.147 18389 10166 1 12 . 1 1 28 28 LYS C C 28 171.365 171.365 174.717 -3.352 18389 10167 1 12 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.562 -3.143 18389 10168 1 12 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.534 -1.990 18389 10169 1 12 . 1 1 28 28 LYS H H 28 8.650 8.650 8.465 0.185 18389 10170 1 12 . 1 1 29 29 VAL N N 29 118.148 118.148 123.455 -5.307 18389 10171 1 12 . 1 1 29 29 VAL HA H 29 5.241 5.241 5.224 0.017 18389 10172 1 12 . 1 1 29 29 VAL C C 29 169.809 169.809 174.935 -5.126 18389 10173 1 12 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.005 -2.922 18389 10174 1 12 . 1 1 29 29 VAL CB C 29 31.475 31.475 34.395 -2.920 18389 10175 1 12 . 1 1 29 29 VAL H H 29 8.327 8.327 8.556 -0.229 18389 10176 1 12 . 1 1 30 30 SER N N 30 120.964 120.964 121.089 -0.125 18389 10177 1 12 . 1 1 30 30 SER HA H 30 4.993 4.993 4.807 0.186 18389 10178 1 12 . 1 1 30 30 SER C C 30 170.354 170.354 173.024 -2.670 18389 10179 1 12 . 1 1 30 30 SER CA C 30 54.438 54.438 58.453 -4.015 18389 10180 1 12 . 1 1 30 30 SER CB C 30 63.262 63.262 64.990 -1.728 18389 10181 1 12 . 1 1 30 30 SER H H 30 8.797 8.797 8.533 0.264 18389 10182 1 12 . 1 1 31 31 THR N N 31 112.970 112.970 116.853 -3.883 18389 10183 1 12 . 1 1 31 31 THR HA H 31 5.618 5.618 5.117 0.501 18389 10184 1 12 . 1 1 31 31 THR C C 31 171.857 171.857 174.719 -2.862 18389 10185 1 12 . 1 1 31 31 THR CA C 31 56.212 56.212 60.751 -4.538 18389 10186 1 12 . 1 1 31 31 THR CB C 31 69.719 69.719 69.614 0.105 18389 10187 1 12 . 1 1 31 31 THR H H 31 8.384 8.384 8.417 -0.033 18389 10188 1 12 . 1 1 32 32 LYS N N 32 119.710 119.710 125.407 -5.697 18389 10189 1 12 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.596 0.130 18389 10190 1 12 . 1 1 32 32 LYS C C 32 171.734 171.734 174.797 -3.063 18389 10191 1 12 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.323 -1.350 18389 10192 1 12 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.802 -2.708 18389 10193 1 12 . 1 1 32 32 LYS H H 32 8.530 8.530 8.845 -0.315 18389 10194 1 12 . 1 1 33 33 ILE N N 33 124.276 124.276 121.518 2.758 18389 10195 1 12 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.949 0.025 18389 10196 1 12 . 1 1 33 33 ILE C C 33 173.578 173.578 176.026 -2.448 18389 10197 1 12 . 1 1 33 33 ILE CA C 33 57.439 57.439 58.895 -1.456 18389 10198 1 12 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.730 -5.268 18389 10199 1 12 . 1 1 33 33 ILE H H 33 8.669 8.669 8.289 0.381 18389 10200 1 12 . 1 1 34 34 VAL N N 34 121.698 121.698 121.880 -0.182 18389 10201 1 12 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.702 0.165 18389 10202 1 12 . 1 1 34 34 VAL C C 34 172.702 172.702 174.757 -2.055 18389 10203 1 12 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.928 -3.269 18389 10204 1 12 . 1 1 34 34 VAL CB C 34 33.909 33.909 35.154 -1.245 18389 10205 1 12 . 1 1 34 34 VAL H H 34 8.463 8.463 8.630 -0.167 18389 10206 1 12 . 1 1 35 35 SER N N 35 115.704 115.704 117.649 -1.945 18389 10207 1 12 . 1 1 35 35 SER HA H 35 4.590 4.590 4.538 0.052 18389 10208 1 12 . 1 1 35 35 SER CA C 35 58.345 58.345 59.500 -1.155 18389 10209 1 12 . 1 1 35 35 SER CB C 35 60.619 60.619 63.385 -2.766 18389 10210 1 12 . 1 1 35 35 SER H H 35 8.271 8.271 8.533 -0.262 18389 10211 1 12 . 1 1 36 36 GLY N N 36 113.970 113.970 112.563 1.407 18389 10212 1 12 . 1 1 36 36 GLY C C 36 170.257 170.257 173.443 -3.186 18389 10213 1 12 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.325 -2.627 18389 10214 1 12 . 1 1 36 36 GLY H H 36 9.267 9.267 7.977 1.290 18389 10215 1 12 . 1 1 37 37 LYS N N 37 129.227 129.227 118.073 11.154 18389 10216 1 12 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.131 -0.776 18389 10217 1 12 . 1 1 37 37 LYS C C 37 174.912 174.912 176.855 -1.943 18389 10218 1 12 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.360 -2.805 18389 10219 1 12 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.803 -3.394 18389 10220 1 12 . 1 1 37 37 LYS H H 37 8.484 8.484 8.169 0.315 18389 10221 1 12 . 1 1 38 38 THR N N 38 109.924 109.924 111.228 -1.304 18389 10222 1 12 . 1 1 38 38 THR HA H 38 4.398 4.398 4.512 -0.114 18389 10223 1 12 . 1 1 38 38 THR C C 38 171.818 171.818 173.983 -2.165 18389 10224 1 12 . 1 1 38 38 THR CA C 38 57.223 57.223 61.484 -4.261 18389 10225 1 12 . 1 1 38 38 THR CB C 38 67.805 67.805 70.695 -2.890 18389 10226 1 12 . 1 1 38 38 THR H H 38 7.549 7.549 8.098 -0.549 18389 10227 1 12 . 1 1 40 40 ASN N N 40 129.674 129.674 122.326 7.348 18389 10228 1 12 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.110 0.413 18389 10229 1 12 . 1 1 40 40 ASN C C 40 173.717 173.717 174.743 -1.026 18389 10230 1 12 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.285 -1.963 18389 10231 1 12 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.364 -3.176 18389 10232 1 12 . 1 1 40 40 ASN H H 40 10.958 10.958 8.776 2.182 18389 10233 1 12 . 1 1 41 41 GLY N N 41 111.261 111.261 105.805 5.456 18389 10234 1 12 . 1 1 41 41 GLY C C 41 166.652 166.652 172.121 -5.469 18389 10235 1 12 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.376 -1.665 18389 10236 1 12 . 1 1 41 41 GLY H H 41 9.674 9.674 8.782 0.892 18389 10237 1 12 . 1 1 42 42 MET N N 42 119.165 119.165 119.673 -0.508 18389 10238 1 12 . 1 1 42 42 MET HA H 42 4.849 4.849 5.016 -0.167 18389 10239 1 12 . 1 1 42 42 MET C C 42 171.154 171.154 173.950 -2.796 18389 10240 1 12 . 1 1 42 42 MET CA C 42 51.503 51.503 54.173 -2.670 18389 10241 1 12 . 1 1 42 42 MET CB C 42 33.293 33.293 35.219 -1.926 18389 10242 1 12 . 1 1 42 42 MET H H 42 7.550 7.550 7.676 -0.126 18389 10243 1 12 . 1 1 43 43 GLU N N 43 128.221 128.221 126.837 1.384 18389 10244 1 12 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.328 -0.462 18389 10245 1 12 . 1 1 43 43 GLU C C 43 172.612 172.612 175.012 -2.400 18389 10246 1 12 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.068 -2.389 18389 10247 1 12 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.206 -2.810 18389 10248 1 12 . 1 1 43 43 GLU H H 43 9.355 9.355 8.819 0.536 18389 10249 1 12 . 1 1 44 44 VAL N N 44 131.011 131.011 122.587 8.424 18389 10250 1 12 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.890 -0.528 18389 10251 1 12 . 1 1 44 44 VAL C C 44 171.752 171.752 174.325 -2.573 18389 10252 1 12 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.372 -1.037 18389 10253 1 12 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.242 -6.292 18389 10254 1 12 . 1 1 44 44 VAL H H 44 9.002 9.002 8.916 0.086 18389 10255 1 12 . 1 1 45 45 SER N N 45 120.764 120.764 117.403 3.361 18389 10256 1 12 . 1 1 45 45 SER HA H 45 4.975 4.975 4.810 0.165 18389 10257 1 12 . 1 1 45 45 SER C C 45 170.500 170.500 173.483 -2.983 18389 10258 1 12 . 1 1 45 45 SER CA C 45 53.547 53.547 57.206 -3.659 18389 10259 1 12 . 1 1 45 45 SER CB C 45 61.650 61.650 64.136 -2.486 18389 10260 1 12 . 1 1 45 45 SER H H 45 8.511 8.511 8.079 0.432 18389 10261 1 12 . 1 1 46 46 TYR N N 46 123.478 123.478 127.600 -4.122 18389 10262 1 12 . 1 1 46 46 TYR HA H 46 5.275 5.275 4.528 0.747 18389 10263 1 12 . 1 1 46 46 TYR C C 46 171.644 171.644 175.440 -3.796 18389 10264 1 12 . 1 1 46 46 TYR CA C 46 52.235 52.235 54.358 -2.123 18389 10265 1 12 . 1 1 46 46 TYR CB C 46 37.465 37.465 38.240 -0.775 18389 10266 1 12 . 1 1 46 46 TYR H H 46 8.511 8.511 9.012 -0.501 18389 10267 1 12 . 1 1 47 47 THR N N 47 118.641 118.641 122.298 -3.657 18389 10268 1 12 . 1 1 47 47 THR HA H 47 4.793 4.793 4.631 0.162 18389 10269 1 12 . 1 1 47 47 THR C C 47 171.614 171.614 174.400 -2.786 18389 10270 1 12 . 1 1 47 47 THR CA C 47 58.267 58.267 61.995 -3.728 18389 10271 1 12 . 1 1 47 47 THR CB C 47 68.820 68.820 69.241 -0.421 18389 10272 1 12 . 1 1 47 47 THR H H 47 8.935 8.935 8.811 0.124 18389 10273 1 12 . 1 1 48 48 GLY N N 48 112.467 112.467 114.465 -1.998 18389 10274 1 12 . 1 1 48 48 GLY C C 48 170.521 170.521 173.429 -2.908 18389 10275 1 12 . 1 1 48 48 GLY CA C 48 42.076 42.076 44.344 -2.268 18389 10276 1 12 . 1 1 48 48 GLY H H 48 7.723 7.723 8.624 -0.901 18389 10277 1 12 . 1 1 49 49 THR N N 49 106.823 106.823 112.941 -6.118 18389 10278 1 12 . 1 1 49 49 THR HA H 49 4.913 4.913 4.958 -0.045 18389 10279 1 12 . 1 1 49 49 THR C C 49 172.529 172.529 176.326 -3.797 18389 10280 1 12 . 1 1 49 49 THR CA C 49 57.385 57.385 60.613 -3.228 18389 10281 1 12 . 1 1 49 49 THR CB C 49 69.609 69.609 70.649 -1.040 18389 10282 1 12 . 1 1 49 49 THR H H 49 8.019 8.019 8.281 -0.262 18389 10283 1 12 . 1 1 51 51 ASP N N 51 118.095 118.095 119.810 -1.715 18389 10284 1 12 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.857 0.147 18389 10285 1 12 . 1 1 51 51 ASP C C 51 172.913 172.913 175.693 -2.780 18389 10286 1 12 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.771 -1.526 18389 10287 1 12 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.594 -2.824 18389 10288 1 12 . 1 1 51 51 ASP H H 51 8.613 8.613 8.461 0.152 18389 10289 1 12 . 1 1 52 52 GLY N N 52 107.075 107.075 108.728 -1.653 18389 10290 1 12 . 1 1 52 52 GLY C C 52 169.748 169.748 172.318 -2.570 18389 10291 1 12 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.764 -1.858 18389 10292 1 12 . 1 1 52 52 GLY H H 52 7.651 7.651 7.530 0.121 18389 10293 1 12 . 1 1 53 53 TYR N N 53 112.556 112.556 118.738 -6.182 18389 10294 1 12 . 1 1 53 53 TYR HA H 53 3.621 3.621 3.517 0.104 18389 10295 1 12 . 1 1 53 53 TYR C C 53 169.219 169.219 173.196 -3.977 18389 10296 1 12 . 1 1 53 53 TYR CA C 53 52.106 52.106 57.114 -5.008 18389 10297 1 12 . 1 1 53 53 TYR CB C 53 39.030 39.030 41.543 -2.513 18389 10298 1 12 . 1 1 53 53 TYR H H 53 6.918 6.918 8.024 -1.106 18389 10299 1 12 . 1 1 54 54 TRP N N 54 112.748 112.748 121.903 -9.155 18389 10300 1 12 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.541 -0.162 18389 10301 1 12 . 1 1 54 54 TRP C C 54 171.085 171.085 173.747 -2.662 18389 10302 1 12 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.181 -2.921 18389 10303 1 12 . 1 1 54 54 TRP CB C 54 29.975 29.975 33.398 -3.422 18389 10304 1 12 . 1 1 54 54 TRP H H 54 6.406 6.406 7.540 -1.133 18389 10305 1 12 . 1 1 55 55 GLY N N 55 108.552 108.552 106.640 1.912 18389 10306 1 12 . 1 1 55 55 GLY C C 55 168.023 168.023 171.025 -3.002 18389 10307 1 12 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.585 -2.137 18389 10308 1 12 . 1 1 55 55 GLY H H 55 8.689 8.689 8.525 0.164 18389 10309 1 12 . 1 1 56 56 THR N N 56 113.376 113.376 114.914 -1.538 18389 10310 1 12 . 1 1 56 56 THR HA H 56 5.868 5.868 4.846 1.022 18389 10311 1 12 . 1 1 56 56 THR C C 56 170.376 170.376 173.631 -3.255 18389 10312 1 12 . 1 1 56 56 THR CA C 56 57.238 57.238 61.087 -3.849 18389 10313 1 12 . 1 1 56 56 THR CB C 56 69.053 69.053 72.377 -3.324 18389 10314 1 12 . 1 1 56 56 THR H H 56 9.518 9.518 8.424 1.094 18389 10315 1 12 . 1 1 57 57 VAL N N 57 123.361 123.361 123.603 -0.242 18389 10316 1 12 . 1 1 57 57 VAL HA H 57 5.453 5.453 3.912 1.541 18389 10317 1 12 . 1 1 57 57 VAL C C 57 169.082 169.082 173.773 -4.691 18389 10318 1 12 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.272 -5.223 18389 10319 1 12 . 1 1 57 57 VAL CB C 57 33.347 33.347 34.815 -1.468 18389 10320 1 12 . 1 1 57 57 VAL H H 57 8.956 8.956 8.554 0.402 18389 10321 1 12 . 1 1 58 58 TYR N N 58 131.224 131.224 125.408 5.816 18389 10322 1 12 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.181 -0.605 18389 10323 1 12 . 1 1 58 58 TYR C C 58 172.050 172.050 173.341 -1.291 18389 10324 1 12 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.726 -5.144 18389 10325 1 12 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.603 -6.643 18389 10326 1 12 . 1 1 58 58 TYR H H 58 8.641 8.641 8.454 0.187 18389 10327 1 12 . 1 1 59 59 SER N N 59 123.126 123.126 123.452 -0.326 18389 10328 1 12 . 1 1 59 59 SER HA H 59 4.304 4.304 4.830 -0.526 18389 10329 1 12 . 1 1 59 59 SER C C 59 170.891 170.891 173.720 -2.829 18389 10330 1 12 . 1 1 59 59 SER CA C 59 55.452 55.452 57.176 -1.724 18389 10331 1 12 . 1 1 59 59 SER CB C 59 60.048 60.048 64.023 -3.975 18389 10332 1 12 . 1 1 59 59 SER H H 59 8.217 8.217 8.799 -0.582 18389 10333 1 12 . 1 1 60 60 LEU N N 60 126.809 126.809 128.882 -2.073 18389 10334 1 12 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.683 -0.430 18389 10335 1 12 . 1 1 60 60 LEU C C 60 173.994 173.994 176.093 -2.099 18389 10336 1 12 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.835 -3.785 18389 10337 1 12 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.257 -2.900 18389 10338 1 12 . 1 1 60 60 LEU H H 60 7.838 7.838 8.821 -0.983 18389 10339 1 12 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.330 0.243 18389 10340 1 12 . 1 1 61 61 PRO C C 61 173.514 173.514 175.957 -2.443 18389 10341 1 12 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.198 -2.946 18389 10342 1 12 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.184 -2.869 18389 10343 1 12 . 1 1 62 62 ASP N N 62 115.943 115.943 116.762 -0.819 18389 10344 1 12 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.785 0.054 18389 10345 1 12 . 1 1 62 62 ASP C C 62 172.949 172.949 175.979 -3.030 18389 10346 1 12 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.784 -3.078 18389 10347 1 12 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.276 -2.245 18389 10348 1 12 . 1 1 62 62 ASP H H 62 7.018 7.018 8.051 -1.033 18389 10349 1 12 . 1 1 63 63 GLY N N 63 112.680 112.680 110.649 2.031 18389 10350 1 12 . 1 1 63 63 GLY C C 63 170.273 170.273 172.593 -2.320 18389 10351 1 12 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.429 -1.428 18389 10352 1 12 . 1 1 63 63 GLY H H 63 8.417 8.417 8.654 -0.237 18389 10353 1 12 . 1 1 64 64 ASP N N 64 115.221 115.221 118.136 -2.915 18389 10354 1 12 . 1 1 64 64 ASP HA H 64 5.293 5.293 5.203 0.090 18389 10355 1 12 . 1 1 64 64 ASP C C 64 174.354 174.354 175.383 -1.029 18389 10356 1 12 . 1 1 64 64 ASP CA C 64 50.267 50.267 51.614 -1.347 18389 10357 1 12 . 1 1 64 64 ASP CB C 64 37.340 37.340 42.185 -4.845 18389 10358 1 12 . 1 1 64 64 ASP H H 64 7.766 7.766 8.291 -0.525 18389 10359 1 12 . 1 1 65 65 TRP N N 65 130.747 130.747 123.453 7.294 18389 10360 1 12 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.141 0.290 18389 10361 1 12 . 1 1 65 65 TRP C C 65 173.930 173.930 176.469 -2.539 18389 10362 1 12 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.241 -4.197 18389 10363 1 12 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.018 -2.411 18389 10364 1 12 . 1 1 65 65 TRP H H 65 9.687 9.687 8.280 1.407 18389 10365 1 12 . 1 1 66 66 SER N N 66 114.151 114.151 117.792 -3.641 18389 10366 1 12 . 1 1 66 66 SER HA H 66 4.041 4.041 4.162 -0.121 18389 10367 1 12 . 1 1 66 66 SER CA C 66 59.812 59.812 60.571 -0.759 18389 10368 1 12 . 1 1 66 66 SER CB C 66 60.892 60.892 62.682 -1.790 18389 10369 1 12 . 1 1 66 66 SER H H 66 8.568 8.568 8.485 0.083 18389 10370 1 12 . 1 1 70 70 LYS N N 70 117.090 117.090 116.043 1.047 18389 10371 1 12 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.200 0.198 18389 10372 1 12 . 1 1 70 70 LYS C C 70 170.030 170.030 174.290 -4.260 18389 10373 1 12 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.353 -3.494 18389 10374 1 12 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.736 -1.780 18389 10375 1 12 . 1 1 70 70 LYS H H 70 8.308 8.308 7.910 0.398 18389 10376 1 12 . 1 1 71 71 ILE N N 71 118.764 118.764 120.655 -1.891 18389 10377 1 12 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.682 0.532 18389 10378 1 12 . 1 1 71 71 ILE C C 71 169.396 169.396 174.276 -4.880 18389 10379 1 12 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.334 -4.001 18389 10380 1 12 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.207 -1.561 18389 10381 1 12 . 1 1 71 71 ILE H H 71 7.816 7.816 8.314 -0.498 18389 10382 1 12 . 1 1 72 72 SER N N 72 120.952 120.952 117.950 3.002 18389 10383 1 12 . 1 1 72 72 SER HA H 72 5.852 5.852 5.248 0.604 18389 10384 1 12 . 1 1 72 72 SER C C 72 170.208 170.208 173.182 -2.974 18389 10385 1 12 . 1 1 72 72 SER CA C 72 52.457 52.457 55.860 -3.403 18389 10386 1 12 . 1 1 72 72 SER CB C 72 64.125 64.125 64.920 -0.795 18389 10387 1 12 . 1 1 72 72 SER H H 72 9.237 9.237 8.676 0.561 18389 10388 1 12 . 1 1 73 73 PHE N N 73 117.161 117.161 120.401 -3.240 18389 10389 1 12 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.814 -0.443 18389 10390 1 12 . 1 1 73 73 PHE C C 73 170.381 170.381 173.106 -2.725 18389 10391 1 12 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.402 -1.605 18389 10392 1 12 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.755 -3.183 18389 10393 1 12 . 1 1 73 73 PHE H H 73 8.093 8.093 7.843 0.250 18389 10394 1 12 . 1 1 74 74 ASP N N 74 120.210 120.210 120.915 -0.705 18389 10395 1 12 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.451 0.703 18389 10396 1 12 . 1 1 74 74 ASP C C 74 173.653 173.653 174.483 -0.830 18389 10397 1 12 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.254 -2.358 18389 10398 1 12 . 1 1 74 74 ASP CB C 74 41.487 41.487 44.289 -2.802 18389 10399 1 12 . 1 1 74 74 ASP H H 74 8.993 8.993 8.979 0.014 18389 10400 1 12 . 1 1 75 75 ILE N N 75 121.051 121.051 125.466 -4.415 18389 10401 1 12 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.873 1.380 18389 10402 1 12 . 1 1 75 75 ILE C C 75 171.229 171.229 173.458 -2.229 18389 10403 1 12 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.453 -1.932 18389 10404 1 12 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.565 -0.044 18389 10405 1 12 . 1 1 75 75 ILE H H 75 9.681 9.681 9.041 0.640 18389 10406 1 12 . 1 1 76 76 LYS N N 76 124.693 124.693 125.475 -0.782 18389 10407 1 12 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.480 -0.649 18389 10408 1 12 . 1 1 76 76 LYS C C 76 172.283 172.283 175.278 -2.995 18389 10409 1 12 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.597 -1.195 18389 10410 1 12 . 1 1 76 76 LYS CB C 76 32.722 32.722 37.094 -4.372 18389 10411 1 12 . 1 1 76 76 LYS H H 76 8.454 8.454 8.702 -0.248 18389 10412 1 12 . 1 1 77 77 SER N N 77 118.916 118.916 114.871 4.045 18389 10413 1 12 . 1 1 77 77 SER HA H 77 4.816 4.816 5.048 -0.232 18389 10414 1 12 . 1 1 77 77 SER C C 77 172.741 172.741 173.807 -1.066 18389 10415 1 12 . 1 1 77 77 SER CA C 77 55.341 55.341 56.540 -1.199 18389 10416 1 12 . 1 1 77 77 SER CB C 77 61.792 61.792 65.695 -3.903 18389 10417 1 12 . 1 1 77 77 SER H H 77 9.236 9.236 9.055 0.181 18389 10418 1 12 . 1 1 78 78 VAL N N 78 120.723 120.723 122.388 -1.665 18389 10419 1 12 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.297 0.037 18389 10420 1 12 . 1 1 78 78 VAL C C 78 172.941 172.941 174.240 -1.299 18389 10421 1 12 . 1 1 78 78 VAL CA C 78 59.795 59.795 60.478 -0.683 18389 10422 1 12 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.688 -2.420 18389 10423 1 12 . 1 1 78 78 VAL H H 78 8.132 8.132 8.361 -0.229 18389 10424 1 12 . 1 1 79 79 ASP N N 79 119.240 119.240 119.961 -0.721 18389 10425 1 12 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.849 -0.108 18389 10426 1 12 . 1 1 79 79 ASP C C 79 174.199 174.199 177.579 -3.380 18389 10427 1 12 . 1 1 79 79 ASP CA C 79 51.112 51.112 52.874 -1.762 18389 10428 1 12 . 1 1 79 79 ASP CB C 79 39.073 39.073 44.209 -5.136 18389 10429 1 12 . 1 1 79 79 ASP H H 79 8.190 8.190 7.618 0.572 18389 10430 1 12 . 1 1 80 80 GLY N N 80 108.323 108.323 109.090 -0.767 18389 10431 1 12 . 1 1 80 80 GLY C C 80 171.858 171.858 175.249 -3.391 18389 10432 1 12 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.718 -2.615 18389 10433 1 12 . 1 1 80 80 GLY H H 80 8.275 8.275 8.504 -0.229 18389 10434 1 12 . 1 1 81 81 SER N N 81 116.291 116.291 117.633 -1.342 18389 10435 1 12 . 1 1 81 81 SER HA H 81 4.588 4.588 4.423 0.165 18389 10436 1 12 . 1 1 81 81 SER C C 81 171.588 171.588 173.444 -1.856 18389 10437 1 12 . 1 1 81 81 SER CA C 81 55.552 55.552 59.206 -3.654 18389 10438 1 12 . 1 1 81 81 SER CB C 81 61.910 61.910 64.158 -2.248 18389 10439 1 12 . 1 1 81 81 SER H H 81 8.201 8.201 7.922 0.279 18389 10440 1 12 . 1 1 82 82 ALA N N 82 128.019 128.019 124.775 3.244 18389 10441 1 12 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.607 0.355 18389 10442 1 12 . 1 1 82 82 ALA C C 82 173.332 173.332 176.487 -3.155 18389 10443 1 12 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.822 -2.743 18389 10444 1 12 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.345 -2.775 18389 10445 1 12 . 1 1 82 82 ALA H H 82 8.613 8.613 8.238 0.375 18389 10446 1 12 . 1 1 83 83 ASN N N 83 119.651 119.651 117.033 2.618 18389 10447 1 12 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.577 0.485 18389 10448 1 12 . 1 1 83 83 ASN C C 83 170.848 170.848 175.422 -4.574 18389 10449 1 12 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.693 -1.933 18389 10450 1 12 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.859 -0.070 18389 10451 1 12 . 1 1 83 83 ASN H H 83 8.153 8.153 8.013 0.140 18389 10452 1 12 . 1 1 84 84 GLU N N 84 127.150 127.150 120.112 7.038 18389 10453 1 12 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.703 0.009 18389 10454 1 12 . 1 1 84 84 GLU C C 84 171.647 171.647 175.466 -3.819 18389 10455 1 12 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.729 -0.957 18389 10456 1 12 . 1 1 84 84 GLU CB C 84 28.701 28.701 31.012 -2.311 18389 10457 1 12 . 1 1 84 84 GLU H H 84 8.122 8.122 8.245 -0.123 18389 10458 1 12 . 1 1 85 85 ILE N N 85 117.590 117.590 115.305 2.285 18389 10459 1 12 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.863 -0.230 18389 10460 1 12 . 1 1 85 85 ILE C C 85 171.902 171.902 174.180 -2.278 18389 10461 1 12 . 1 1 85 85 ILE CA C 85 58.031 58.031 58.864 -0.833 18389 10462 1 12 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.686 -1.434 18389 10463 1 12 . 1 1 85 85 ILE H H 85 8.910 8.910 8.684 0.226 18389 10464 1 12 . 1 1 86 86 ARG N N 86 116.697 116.697 117.883 -1.186 18389 10465 1 12 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.444 -0.048 18389 10466 1 12 . 1 1 86 86 ARG C C 86 171.787 171.787 175.253 -3.466 18389 10467 1 12 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.479 -1.364 18389 10468 1 12 . 1 1 86 86 ARG CB C 86 32.062 32.062 34.661 -2.599 18389 10469 1 12 . 1 1 86 86 ARG H H 86 9.149 9.149 8.598 0.551 18389 10470 1 12 . 1 1 87 87 PHE N N 87 123.607 123.607 119.379 4.228 18389 10471 1 12 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.602 -0.114 18389 10472 1 12 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.790 -2.973 18389 10473 1 12 . 1 1 87 87 PHE CB C 87 40.112 40.112 44.548 -4.436 18389 10474 1 12 . 1 1 87 87 PHE H H 87 9.235 9.235 9.301 -0.066 18389 10475 1 12 . 1 1 88 88 MET N N 88 129.893 129.893 121.372 8.521 18389 10476 1 12 . 1 1 88 88 MET HA H 88 5.836 5.836 5.645 0.191 18389 10477 1 12 . 1 1 88 88 MET C C 88 170.768 170.768 174.064 -3.296 18389 10478 1 12 . 1 1 88 88 MET CA C 88 51.118 51.118 55.162 -4.044 18389 10479 1 12 . 1 1 88 88 MET CB C 88 37.224 37.224 37.400 -0.176 18389 10480 1 12 . 1 1 88 88 MET H H 88 8.868 8.868 9.153 -0.285 18389 10481 1 12 . 1 1 89 89 ILE N N 89 124.630 124.630 124.484 0.146 18389 10482 1 12 . 1 1 89 89 ILE HA H 89 4.538 4.538 4.939 -0.401 18389 10483 1 12 . 1 1 89 89 ILE C C 89 171.047 171.047 173.839 -2.792 18389 10484 1 12 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.689 -1.718 18389 10485 1 12 . 1 1 89 89 ILE CB C 89 38.920 38.920 41.956 -3.036 18389 10486 1 12 . 1 1 89 89 ILE H H 89 9.258 9.258 9.321 -0.063 18389 10487 1 12 . 1 1 90 90 ALA N N 90 128.743 128.743 127.714 1.029 18389 10488 1 12 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.597 0.069 18389 10489 1 12 . 1 1 90 90 ALA C C 90 176.041 176.041 175.916 0.125 18389 10490 1 12 . 1 1 90 90 ALA CA C 90 46.821 46.821 50.120 -3.299 18389 10491 1 12 . 1 1 90 90 ALA CB C 90 18.331 18.331 22.615 -4.284 18389 10492 1 12 . 1 1 90 90 ALA H H 90 8.749 8.749 9.028 -0.279 18389 10493 1 12 . 1 1 91 91 GLU N N 91 121.616 121.616 124.002 -2.386 18389 10494 1 12 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.891 -0.173 18389 10495 1 12 . 1 1 91 91 GLU C C 91 174.217 174.217 176.143 -1.926 18389 10496 1 12 . 1 1 91 91 GLU CA C 91 53.143 53.143 54.351 -1.208 18389 10497 1 12 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.804 -1.957 18389 10498 1 12 . 1 1 91 91 GLU H H 91 8.749 8.749 8.612 0.137 18389 10499 1 12 . 1 1 92 92 LYS N N 92 117.975 117.975 118.298 -0.323 18389 10500 1 12 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.489 -0.120 18389 10501 1 12 . 1 1 92 92 LYS C C 92 174.743 174.743 176.551 -1.808 18389 10502 1 12 . 1 1 92 92 LYS CA C 92 54.360 54.360 55.583 -1.222 18389 10503 1 12 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.975 -3.319 18389 10504 1 12 . 1 1 92 92 LYS H H 92 8.014 8.014 7.894 0.120 18389 10505 1 12 . 1 1 93 93 SER N N 93 115.092 115.092 114.760 0.332 18389 10506 1 12 . 1 1 93 93 SER HA H 93 4.215 4.215 4.534 -0.319 18389 10507 1 12 . 1 1 93 93 SER C C 93 174.964 174.964 177.600 -2.636 18389 10508 1 12 . 1 1 93 93 SER CA C 93 53.874 53.874 57.895 -4.021 18389 10509 1 12 . 1 1 93 93 SER CB C 93 61.736 61.736 64.040 -2.304 18389 10510 1 12 . 1 1 93 93 SER H H 93 8.083 8.083 8.312 -0.229 18389 10511 1 12 . 1 1 94 94 ILE N N 94 121.880 121.880 121.210 0.670 18389 10512 1 12 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.016 0.370 18389 10513 1 12 . 1 1 94 94 ILE C C 94 174.020 174.020 176.248 -2.228 18389 10514 1 12 . 1 1 94 94 ILE CA C 94 60.345 60.345 63.228 -2.883 18389 10515 1 12 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.458 -1.457 18389 10516 1 12 . 1 1 94 94 ILE H H 94 9.150 9.150 8.713 0.437 18389 10517 1 12 . 1 1 95 95 ASN N N 95 117.349 117.349 118.254 -0.905 18389 10518 1 12 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.769 0.286 18389 10519 1 12 . 1 1 95 95 ASN C C 95 173.659 173.659 175.821 -2.162 18389 10520 1 12 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.279 -3.892 18389 10521 1 12 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.601 -2.935 18389 10522 1 12 . 1 1 95 95 ASN H H 95 8.163 8.163 8.267 -0.104 18389 10523 1 12 . 1 1 96 96 GLY N N 96 106.957 106.957 108.861 -1.904 18389 10524 1 12 . 1 1 96 96 GLY C C 96 170.704 170.704 173.895 -3.191 18389 10525 1 12 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.307 -1.988 18389 10526 1 12 . 1 1 96 96 GLY H H 96 7.530 7.530 8.003 -0.473 18389 10527 1 12 . 1 1 97 97 VAL N N 97 119.393 119.393 120.240 -0.847 18389 10528 1 12 . 1 1 97 97 VAL HA H 97 4.354 4.354 3.895 0.459 18389 10529 1 12 . 1 1 97 97 VAL C C 97 173.622 173.622 176.951 -3.329 18389 10530 1 12 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.944 -2.802 18389 10531 1 12 . 1 1 97 97 VAL CB C 97 30.771 30.771 32.789 -2.018 18389 10532 1 12 . 1 1 97 97 VAL H H 97 7.650 7.650 7.339 0.311 18389 10533 1 12 . 1 1 98 98 GLY N N 98 115.075 115.075 109.708 5.367 18389 10534 1 12 . 1 1 98 98 GLY C C 98 170.065 170.065 173.811 -3.746 18389 10535 1 12 . 1 1 98 98 GLY CA C 98 42.739 42.739 46.035 -3.296 18389 10536 1 12 . 1 1 98 98 GLY H H 98 8.712 8.712 8.761 -0.049 18389 10537 1 12 . 1 1 99 99 ASP N N 99 119.064 119.064 120.201 -1.137 18389 10538 1 12 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.618 0.057 18389 10539 1 12 . 1 1 99 99 ASP C C 99 172.502 172.502 174.812 -2.310 18389 10540 1 12 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.033 -2.452 18389 10541 1 12 . 1 1 99 99 ASP CB C 99 39.195 39.195 40.420 -1.225 18389 10542 1 12 . 1 1 99 99 ASP H H 99 8.746 8.746 7.853 0.893 18389 10543 1 12 . 1 1 100 100 GLY N N 100 109.333 109.333 108.885 0.448 18389 10544 1 12 . 1 1 100 100 GLY C C 100 167.638 167.638 173.085 -5.447 18389 10545 1 12 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.523 -4.414 18389 10546 1 12 . 1 1 100 100 GLY H H 100 8.285 8.285 7.575 0.710 18389 10547 1 12 . 1 1 101 101 GLU N N 101 120.835 120.835 120.101 0.734 18389 10548 1 12 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.235 0.492 18389 10549 1 12 . 1 1 101 101 GLU C C 101 173.652 173.652 175.806 -2.154 18389 10550 1 12 . 1 1 101 101 GLU CA C 101 55.449 55.449 57.776 -2.327 18389 10551 1 12 . 1 1 101 101 GLU CB C 101 31.014 31.014 30.072 0.942 18389 10552 1 12 . 1 1 101 101 GLU H H 101 8.339 8.339 8.610 -0.271 18389 10553 1 12 . 1 1 102 102 HIS N N 102 126.597 126.597 123.127 3.470 18389 10554 1 12 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.427 -0.021 18389 10555 1 12 . 1 1 102 102 HIS C C 102 174.479 174.479 174.572 -0.093 18389 10556 1 12 . 1 1 102 102 HIS CA C 102 52.912 52.912 55.162 -2.250 18389 10557 1 12 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.851 1.905 18389 10558 1 12 . 1 1 102 102 HIS H H 102 10.029 10.029 9.384 0.645 18389 10559 1 12 . 1 1 103 103 TRP N N 103 125.616 125.616 122.691 2.925 18389 10560 1 12 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.532 -0.501 18389 10561 1 12 . 1 1 103 103 TRP C C 103 173.236 173.236 175.213 -1.977 18389 10562 1 12 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.435 -1.602 18389 10563 1 12 . 1 1 103 103 TRP CB C 103 29.190 29.190 31.995 -2.805 18389 10564 1 12 . 1 1 103 103 TRP H H 103 9.242 9.242 9.512 -0.270 18389 10565 1 12 . 1 1 104 104 VAL N N 104 114.086 114.086 116.112 -2.026 18389 10566 1 12 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.708 0.425 18389 10567 1 12 . 1 1 104 104 VAL C C 104 173.194 173.194 173.789 -0.595 18389 10568 1 12 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.285 -1.956 18389 10569 1 12 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.831 -0.388 18389 10570 1 12 . 1 1 104 104 VAL H H 104 10.273 10.273 9.420 0.853 18389 10571 1 12 . 1 1 105 105 TYR N N 105 123.278 123.278 123.226 0.052 18389 10572 1 12 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.913 -0.253 18389 10573 1 12 . 1 1 105 105 TYR C C 105 172.030 172.030 173.387 -1.357 18389 10574 1 12 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.733 -1.011 18389 10575 1 12 . 1 1 105 105 TYR CB C 105 40.973 40.973 42.274 -1.301 18389 10576 1 12 . 1 1 105 105 TYR H H 105 9.219 9.219 8.689 0.530 18389 10577 1 12 . 1 1 106 106 SER N N 106 123.619 123.619 117.819 5.800 18389 10578 1 12 . 1 1 106 106 SER HA H 106 5.226 5.226 5.478 -0.252 18389 10579 1 12 . 1 1 106 106 SER C C 106 170.291 170.291 172.651 -2.360 18389 10580 1 12 . 1 1 106 106 SER CA C 106 56.800 56.800 56.656 0.144 18389 10581 1 12 . 1 1 106 106 SER CB C 106 61.265 61.265 65.763 -4.498 18389 10582 1 12 . 1 1 106 106 SER H H 106 7.768 7.768 7.394 0.374 18389 10583 1 12 . 1 1 107 107 ILE N N 107 120.192 120.192 119.062 1.130 18389 10584 1 12 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.501 0.258 18389 10585 1 12 . 1 1 107 107 ILE C C 107 171.471 171.471 173.710 -2.239 18389 10586 1 12 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.461 -2.450 18389 10587 1 12 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.458 -1.699 18389 10588 1 12 . 1 1 107 107 ILE H H 107 8.942 8.942 9.024 -0.082 18389 10589 1 12 . 1 1 108 108 THR N N 108 118.723 118.723 114.396 4.327 18389 10590 1 12 . 1 1 108 108 THR HA H 108 5.017 5.017 4.888 0.129 18389 10591 1 12 . 1 1 108 108 THR C C 108 170.359 170.359 173.222 -2.863 18389 10592 1 12 . 1 1 108 108 THR CA C 108 56.686 56.686 58.244 -1.558 18389 10593 1 12 . 1 1 108 108 THR CB C 108 67.488 67.488 70.016 -2.528 18389 10594 1 12 . 1 1 108 108 THR H H 108 8.718 8.718 8.236 0.482 18389 10595 1 12 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.685 -0.275 18389 10596 1 12 . 1 1 109 109 PRO C C 109 171.443 171.443 175.220 -3.777 18389 10597 1 12 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.383 -2.559 18389 10598 1 12 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.033 -3.055 18389 10599 1 12 . 1 1 110 110 ASP N N 110 122.785 122.785 117.026 5.759 18389 10600 1 12 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.942 0.206 18389 10601 1 12 . 1 1 110 110 ASP C C 110 174.113 174.113 176.808 -2.695 18389 10602 1 12 . 1 1 110 110 ASP CA C 110 50.056 50.056 52.693 -2.637 18389 10603 1 12 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.568 -2.879 18389 10604 1 12 . 1 1 110 110 ASP H H 110 9.061 9.061 8.212 0.849 18389 10605 1 12 . 1 1 111 111 SER N N 111 112.595 112.595 116.058 -3.463 18389 10606 1 12 . 1 1 111 111 SER HA H 111 4.432 4.432 4.615 -0.183 18389 10607 1 12 . 1 1 111 111 SER CA C 111 58.333 58.333 60.670 -2.337 18389 10608 1 12 . 1 1 111 111 SER CB C 111 61.046 61.046 63.578 -2.532 18389 10609 1 12 . 1 1 111 111 SER H H 111 8.435 8.435 8.545 -0.110 18389 10610 1 12 . 1 1 112 112 SER N N 112 116.615 116.615 118.484 -1.869 18389 10611 1 12 . 1 1 112 112 SER HA H 112 4.862 4.862 4.444 0.418 18389 10612 1 12 . 1 1 112 112 SER C C 112 170.519 170.519 174.605 -4.086 18389 10613 1 12 . 1 1 112 112 SER CA C 112 54.017 54.017 57.212 -3.195 18389 10614 1 12 . 1 1 112 112 SER CB C 112 62.948 62.948 63.262 -0.314 18389 10615 1 12 . 1 1 112 112 SER H H 112 8.035 8.035 8.052 -0.017 18389 10616 1 12 . 1 1 113 113 TRP N N 113 120.576 120.576 125.538 -4.962 18389 10617 1 12 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.284 0.270 18389 10618 1 12 . 1 1 113 113 TRP C C 113 174.599 174.599 176.253 -1.654 18389 10619 1 12 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.206 -0.324 18389 10620 1 12 . 1 1 113 113 TRP CB C 113 27.360 27.360 28.986 -1.626 18389 10621 1 12 . 1 1 113 113 TRP H H 113 8.318 8.318 8.650 -0.332 18389 10622 1 12 . 1 1 114 114 LYS N N 114 123.372 123.372 126.256 -2.884 18389 10623 1 12 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.710 0.184 18389 10624 1 12 . 1 1 114 114 LYS C C 114 172.772 172.772 175.582 -2.810 18389 10625 1 12 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.449 -1.501 18389 10626 1 12 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.466 -1.216 18389 10627 1 12 . 1 1 114 114 LYS H H 114 8.782 8.782 8.024 0.758 18389 10628 1 12 . 1 1 115 115 THR N N 115 120.929 120.929 122.203 -1.274 18389 10629 1 12 . 1 1 115 115 THR HA H 115 5.226 5.226 4.687 0.539 18389 10630 1 12 . 1 1 115 115 THR C C 115 171.778 171.778 174.373 -2.595 18389 10631 1 12 . 1 1 115 115 THR CA C 115 59.671 59.671 62.354 -2.683 18389 10632 1 12 . 1 1 115 115 THR CB C 115 66.938 66.938 69.082 -2.144 18389 10633 1 12 . 1 1 115 115 THR H H 115 8.689 8.689 8.671 0.018 18389 10634 1 12 . 1 1 116 116 ILE N N 116 131.929 131.929 126.680 5.249 18389 10635 1 12 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.174 0.010 18389 10636 1 12 . 1 1 116 116 ILE C C 116 171.012 171.012 174.384 -3.372 18389 10637 1 12 . 1 1 116 116 ILE CA C 116 56.357 56.357 59.827 -3.470 18389 10638 1 12 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.418 -3.087 18389 10639 1 12 . 1 1 116 116 ILE H H 116 9.470 9.470 8.963 0.507 18389 10640 1 12 . 1 1 117 117 GLU N N 117 124.514 124.514 127.797 -3.283 18389 10641 1 12 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.389 0.481 18389 10642 1 12 . 1 1 117 117 GLU C C 117 173.332 173.332 175.825 -2.493 18389 10643 1 12 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.493 -4.695 18389 10644 1 12 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.315 0.378 18389 10645 1 12 . 1 1 117 117 GLU H H 117 8.089 8.089 8.590 -0.501 18389 10646 1 12 . 1 1 118 118 ILE N N 118 125.005 125.005 126.177 -1.172 18389 10647 1 12 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.237 0.186 18389 10648 1 12 . 1 1 118 118 ILE C C 118 171.765 171.765 173.502 -1.737 18389 10649 1 12 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.030 -2.390 18389 10650 1 12 . 1 1 118 118 ILE CB C 118 37.429 37.429 38.597 -1.168 18389 10651 1 12 . 1 1 118 118 ILE H H 118 9.322 9.322 8.386 0.936 18389 10652 1 12 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.541 0.296 18389 10653 1 12 . 1 1 119 119 PRO C C 119 176.780 176.780 177.960 -1.180 18389 10654 1 12 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.909 -2.505 18389 10655 1 12 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.427 -3.362 18389 10656 1 12 . 1 1 120 120 PHE N N 120 124.627 124.627 119.604 5.023 18389 10657 1 12 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.469 0.525 18389 10658 1 12 . 1 1 120 120 PHE C C 120 175.402 175.402 176.592 -1.190 18389 10659 1 12 . 1 1 120 120 PHE CA C 120 59.272 59.272 59.499 -0.227 18389 10660 1 12 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.924 -2.679 18389 10661 1 12 . 1 1 120 120 PHE H H 120 8.160 8.160 8.353 -0.193 18389 10662 1 12 . 1 1 121 121 SER N N 121 110.551 110.551 112.150 -1.599 18389 10663 1 12 . 1 1 121 121 SER HA H 121 4.647 4.647 4.398 0.249 18389 10664 1 12 . 1 1 121 121 SER C C 121 173.187 173.187 175.261 -2.074 18389 10665 1 12 . 1 1 121 121 SER CA C 121 57.359 57.359 59.296 -1.937 18389 10666 1 12 . 1 1 121 121 SER CB C 121 60.639 60.639 63.848 -3.209 18389 10667 1 12 . 1 1 121 121 SER H H 121 8.367 8.367 8.380 -0.013 18389 10668 1 12 . 1 1 122 122 SER N N 122 117.166 117.166 116.926 0.240 18389 10669 1 12 . 1 1 122 122 SER HA H 122 4.946 4.946 4.472 0.474 18389 10670 1 12 . 1 1 122 122 SER C C 122 172.296 172.296 174.329 -2.033 18389 10671 1 12 . 1 1 122 122 SER CA C 122 57.525 57.525 59.561 -2.036 18389 10672 1 12 . 1 1 122 122 SER CB C 122 61.716 61.716 63.717 -2.001 18389 10673 1 12 . 1 1 122 122 SER H H 122 8.537 8.537 7.527 1.010 18389 10674 1 12 . 1 1 123 123 PHE N N 123 119.840 119.840 119.700 0.140 18389 10675 1 12 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.838 -0.191 18389 10676 1 12 . 1 1 123 123 PHE C C 123 173.527 173.527 176.392 -2.865 18389 10677 1 12 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.508 -0.730 18389 10678 1 12 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.890 -1.343 18389 10679 1 12 . 1 1 123 123 PHE H H 123 7.807 7.807 7.609 0.198 18389 10680 1 12 . 1 1 124 124 ARG N N 124 120.098 120.098 122.883 -2.785 18389 10681 1 12 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.018 0.323 18389 10682 1 12 . 1 1 124 124 ARG C C 124 172.631 172.631 175.260 -2.629 18389 10683 1 12 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.917 -2.592 18389 10684 1 12 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.173 -2.452 18389 10685 1 12 . 1 1 124 124 ARG H H 124 9.297 9.297 9.371 -0.074 18389 10686 1 12 . 1 1 125 125 ARG N N 125 126.739 126.739 122.061 4.678 18389 10687 1 12 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.268 -1.306 18389 10688 1 12 . 1 1 125 125 ARG C C 125 174.319 174.319 176.433 -2.114 18389 10689 1 12 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.308 -0.272 18389 10690 1 12 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.003 -2.655 18389 10691 1 12 . 1 1 125 125 ARG H H 125 8.611 8.611 8.558 0.053 18389 10692 1 12 . 1 1 126 126 ARG N N 126 126.556 126.556 125.936 0.620 18389 10693 1 12 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.191 -0.227 18389 10694 1 12 . 1 1 126 126 ARG C C 126 174.021 174.021 176.614 -2.593 18389 10695 1 12 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.046 0.492 18389 10696 1 12 . 1 1 126 126 ARG CB C 126 29.739 29.739 28.280 1.459 18389 10697 1 12 . 1 1 126 126 ARG H H 126 7.917 7.917 8.566 -0.649 18389 10698 1 12 . 1 1 127 127 LEU N N 127 124.550 124.550 120.545 4.005 18389 10699 1 12 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.159 0.495 18389 10700 1 12 . 1 1 127 127 LEU C C 127 175.775 175.775 177.335 -1.560 18389 10701 1 12 . 1 1 127 127 LEU CA C 127 53.208 53.208 57.678 -4.470 18389 10702 1 12 . 1 1 127 127 LEU CB C 127 41.378 41.378 41.434 -0.056 18389 10703 1 12 . 1 1 127 127 LEU H H 127 8.817 8.817 7.776 1.041 18389 10704 1 12 . 1 1 128 128 ASP N N 128 116.209 116.209 117.349 -1.140 18389 10705 1 12 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.507 0.042 18389 10706 1 12 . 1 1 128 128 ASP C C 128 172.491 172.491 175.898 -3.407 18389 10707 1 12 . 1 1 128 128 ASP CA C 128 52.492 52.492 54.872 -2.380 18389 10708 1 12 . 1 1 128 128 ASP CB C 128 36.582 36.582 40.053 -3.471 18389 10709 1 12 . 1 1 128 128 ASP H H 128 9.072 9.072 8.522 0.550 18389 10710 1 12 . 1 1 129 129 TYR N N 129 119.329 119.329 120.291 -0.962 18389 10711 1 12 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.622 -0.269 18389 10712 1 12 . 1 1 129 129 TYR C C 129 169.992 169.992 174.823 -4.831 18389 10713 1 12 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.808 -1.463 18389 10714 1 12 . 1 1 129 129 TYR CB C 129 38.447 38.447 39.801 -1.354 18389 10715 1 12 . 1 1 129 129 TYR H H 129 7.002 7.002 7.623 -0.621 18389 10716 1 12 . 1 1 130 130 GLN N N 130 121.469 121.469 121.943 -0.474 18389 10717 1 12 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.674 -0.765 18389 10718 1 12 . 1 1 130 130 GLN C C 130 170.223 170.223 174.738 -4.515 18389 10719 1 12 . 1 1 130 130 GLN CA C 130 49.789 49.789 54.920 -5.131 18389 10720 1 12 . 1 1 130 130 GLN CB C 130 29.625 29.625 28.984 0.641 18389 10721 1 12 . 1 1 130 130 GLN H H 130 6.288 6.288 7.776 -1.488 18389 10722 1 12 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.437 -0.027 18389 10723 1 12 . 1 1 132 132 PRO C C 132 175.720 175.720 177.493 -1.773 18389 10724 1 12 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.852 -1.779 18389 10725 1 12 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.518 -3.403 18389 10726 1 12 . 1 1 133 133 GLY N N 133 104.558 104.558 109.980 -5.422 18389 10727 1 12 . 1 1 133 133 GLY C C 133 171.229 171.229 172.640 -1.411 18389 10728 1 12 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.571 -2.056 18389 10729 1 12 . 1 1 133 133 GLY H H 133 8.298 8.298 8.708 -0.410 18389 10730 1 12 . 1 1 134 134 GLN N N 134 116.684 116.684 121.207 -4.523 18389 10731 1 12 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.601 -0.234 18389 10732 1 12 . 1 1 134 134 GLN C C 134 172.815 172.815 174.994 -2.179 18389 10733 1 12 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.056 -1.252 18389 10734 1 12 . 1 1 134 134 GLN CB C 134 24.866 24.866 31.862 -6.996 18389 10735 1 12 . 1 1 134 134 GLN H H 134 7.273 7.273 7.712 -0.439 18389 10736 1 12 . 1 1 135 135 ASP N N 135 118.688 118.688 124.189 -5.501 18389 10737 1 12 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.559 -0.197 18389 10738 1 12 . 1 1 135 135 ASP C C 135 174.301 174.301 176.218 -1.917 18389 10739 1 12 . 1 1 135 135 ASP CA C 135 51.810 51.810 53.922 -2.112 18389 10740 1 12 . 1 1 135 135 ASP CB C 135 36.904 36.904 40.597 -3.693 18389 10741 1 12 . 1 1 135 135 ASP H H 135 8.844 8.844 8.985 -0.141 18389 10742 1 12 . 1 1 136 136 MET N N 136 114.721 114.721 115.836 -1.115 18389 10743 1 12 . 1 1 136 136 MET HA H 136 4.035 4.035 4.136 -0.101 18389 10744 1 12 . 1 1 136 136 MET C C 136 174.252 174.252 176.007 -1.755 18389 10745 1 12 . 1 1 136 136 MET CA C 136 54.461 54.461 56.178 -1.717 18389 10746 1 12 . 1 1 136 136 MET CB C 136 29.439 29.439 31.800 -2.361 18389 10747 1 12 . 1 1 136 136 MET H H 136 7.585 7.585 7.842 -0.257 18389 10748 1 12 . 1 1 137 137 SER N N 137 118.130 118.130 114.472 3.658 18389 10749 1 12 . 1 1 137 137 SER HA H 137 4.392 4.392 4.468 -0.076 18389 10750 1 12 . 1 1 137 137 SER C C 137 174.811 174.811 176.228 -1.417 18389 10751 1 12 . 1 1 137 137 SER CA C 137 57.841 57.841 59.986 -2.145 18389 10752 1 12 . 1 1 137 137 SER CB C 137 62.369 62.369 64.031 -1.662 18389 10753 1 12 . 1 1 137 137 SER H H 137 9.140 9.140 8.013 1.127 18389 10754 1 12 . 1 1 138 138 GLY N N 138 114.534 114.534 112.458 2.076 18389 10755 1 12 . 1 1 138 138 GLY C C 138 170.903 170.903 174.010 -3.107 18389 10756 1 12 . 1 1 138 138 GLY CA C 138 44.197 44.197 46.130 -1.933 18389 10757 1 12 . 1 1 138 138 GLY H H 138 10.549 10.549 8.834 1.715 18389 10758 1 12 . 1 1 139 139 THR N N 139 112.564 112.564 115.196 -2.632 18389 10759 1 12 . 1 1 139 139 THR HA H 139 4.538 4.538 4.547 -0.009 18389 10760 1 12 . 1 1 139 139 THR C C 139 168.086 168.086 173.156 -5.070 18389 10761 1 12 . 1 1 139 139 THR CA C 139 57.132 57.132 60.538 -3.406 18389 10762 1 12 . 1 1 139 139 THR CB C 139 68.854 68.854 71.877 -3.023 18389 10763 1 12 . 1 1 139 139 THR H H 139 8.504 8.504 7.724 0.780 18389 10764 1 12 . 1 1 140 140 LEU N N 140 129.971 129.971 122.332 7.639 18389 10765 1 12 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.459 -0.688 18389 10766 1 12 . 1 1 140 140 LEU C C 140 172.175 172.175 175.541 -3.366 18389 10767 1 12 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.830 -2.495 18389 10768 1 12 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.431 -5.559 18389 10769 1 12 . 1 1 140 140 LEU H H 140 7.900 7.900 7.665 0.235 18389 10770 1 12 . 1 1 141 141 ASP N N 141 132.200 132.200 126.091 6.109 18389 10771 1 12 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.693 0.011 18389 10772 1 12 . 1 1 141 141 ASP C C 141 172.137 172.137 176.645 -4.508 18389 10773 1 12 . 1 1 141 141 ASP CA C 141 51.692 51.692 54.329 -2.637 18389 10774 1 12 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.230 -2.670 18389 10775 1 12 . 1 1 141 141 ASP H H 141 9.101 9.101 8.519 0.582 18389 10776 1 12 . 1 1 142 142 LEU N N 142 122.667 122.667 123.559 -0.892 18389 10777 1 12 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.533 0.207 18389 10778 1 12 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.306 -2.559 18389 10779 1 12 . 1 1 142 142 LEU CB C 142 39.898 39.898 40.914 -1.016 18389 10780 1 12 . 1 1 142 142 LEU H H 142 7.799 7.799 8.337 -0.538 18389 10781 1 12 . 1 1 143 143 ASP N N 143 112.789 112.789 114.373 -1.584 18389 10782 1 12 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.302 0.614 18389 10783 1 12 . 1 1 143 143 ASP C C 143 173.547 173.547 175.946 -2.399 18389 10784 1 12 . 1 1 143 143 ASP CA C 143 51.101 51.101 55.104 -4.003 18389 10785 1 12 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.230 -2.932 18389 10786 1 12 . 1 1 143 143 ASP H H 143 8.473 8.473 8.308 0.165 18389 10787 1 12 . 1 1 144 144 ASN N N 144 120.743 120.743 116.762 3.981 18389 10788 1 12 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.845 0.234 18389 10789 1 12 . 1 1 144 144 ASN C C 144 171.278 171.278 173.511 -2.233 18389 10790 1 12 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.447 -2.973 18389 10791 1 12 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.192 -2.013 18389 10792 1 12 . 1 1 144 144 ASN H H 144 7.867 7.867 7.525 0.342 18389 10793 1 12 . 1 1 145 145 ILE N N 145 122.844 122.844 119.676 3.168 18389 10794 1 12 . 1 1 145 145 ILE HA H 145 3.840 3.840 3.938 -0.098 18389 10795 1 12 . 1 1 145 145 ILE C C 145 172.420 172.420 175.511 -3.091 18389 10796 1 12 . 1 1 145 145 ILE CA C 145 57.861 57.861 60.578 -2.717 18389 10797 1 12 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.003 -3.596 18389 10798 1 12 . 1 1 145 145 ILE H H 145 8.770 8.770 7.669 1.101 18389 10799 1 12 . 1 1 146 146 ASP N N 146 125.428 125.428 127.721 -2.293 18389 10800 1 12 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.614 0.039 18389 10801 1 12 . 1 1 146 146 ASP C C 146 172.931 172.931 175.906 -2.975 18389 10802 1 12 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.871 -2.519 18389 10803 1 12 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.409 0.503 18389 10804 1 12 . 1 1 146 146 ASP H H 146 9.355 9.355 8.935 0.420 18389 10805 1 12 . 1 1 147 147 SER N N 147 108.442 108.442 110.863 -2.421 18389 10806 1 12 . 1 1 147 147 SER HA H 147 5.054 5.054 5.098 -0.044 18389 10807 1 12 . 1 1 147 147 SER C C 147 169.957 169.957 172.393 -2.436 18389 10808 1 12 . 1 1 147 147 SER CA C 147 54.584 54.584 57.556 -2.972 18389 10809 1 12 . 1 1 147 147 SER CB C 147 62.518 62.518 66.070 -3.552 18389 10810 1 12 . 1 1 147 147 SER H H 147 7.927 7.927 7.888 0.039 18389 10811 1 12 . 1 1 148 148 ILE N N 148 110.150 110.150 114.370 -4.220 18389 10812 1 12 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.129 0.520 18389 10813 1 12 . 1 1 148 148 ILE C C 148 171.932 171.932 173.510 -1.578 18389 10814 1 12 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.206 -2.584 18389 10815 1 12 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.607 -2.894 18389 10816 1 12 . 1 1 148 148 ILE H H 148 8.043 8.043 8.486 -0.443 18389 10817 1 12 . 1 1 149 149 HIS N N 149 118.612 118.612 120.341 -1.729 18389 10818 1 12 . 1 1 149 149 HIS HA H 149 6.490 6.490 4.950 1.540 18389 10819 1 12 . 1 1 149 149 HIS C C 149 174.287 174.287 173.761 0.526 18389 10820 1 12 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.142 -2.240 18389 10821 1 12 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.019 -1.060 18389 10822 1 12 . 1 1 149 149 HIS H H 149 9.331 9.331 8.855 0.476 18389 10823 1 12 . 1 1 150 150 PHE N N 150 117.037 117.037 118.808 -1.771 18389 10824 1 12 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.865 0.665 18389 10825 1 12 . 1 1 150 150 PHE C C 150 172.808 172.808 174.557 -1.749 18389 10826 1 12 . 1 1 150 150 PHE CA C 150 56.503 56.503 55.647 0.856 18389 10827 1 12 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.920 -1.640 18389 10828 1 12 . 1 1 150 150 PHE H H 150 8.788 8.788 7.842 0.946 18389 10829 1 12 . 1 1 151 151 MET N N 151 119.781 119.781 117.919 1.862 18389 10830 1 12 . 1 1 151 151 MET HA H 151 4.664 4.664 4.850 -0.186 18389 10831 1 12 . 1 1 151 151 MET C C 151 170.282 170.282 174.104 -3.822 18389 10832 1 12 . 1 1 151 151 MET CA C 151 52.146 52.146 53.888 -1.742 18389 10833 1 12 . 1 1 151 151 MET CB C 151 34.947 34.947 38.246 -3.299 18389 10834 1 12 . 1 1 151 151 MET H H 151 9.761 9.761 9.023 0.738 18389 10835 1 12 . 1 1 152 152 TYR N N 152 117.149 117.149 118.939 -1.790 18389 10836 1 12 . 1 1 152 152 TYR HA H 152 4.076 4.076 3.109 0.967 18389 10837 1 12 . 1 1 152 152 TYR C C 152 171.554 171.554 173.641 -2.087 18389 10838 1 12 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.765 -1.420 18389 10839 1 12 . 1 1 152 152 TYR CB C 152 36.904 36.904 37.840 -0.936 18389 10840 1 12 . 1 1 152 152 TYR H H 152 6.275 6.275 7.772 -1.497 18389 10841 1 12 . 1 1 153 153 ALA N N 153 121.523 121.523 122.928 -1.405 18389 10842 1 12 . 1 1 153 153 ALA HA H 153 4.163 4.163 3.778 0.385 18389 10843 1 12 . 1 1 153 153 ALA C C 153 173.777 173.777 174.985 -1.208 18389 10844 1 12 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.555 -2.370 18389 10845 1 12 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.460 0.504 18389 10846 1 12 . 1 1 153 153 ALA H H 153 10.019 10.019 8.147 1.872 18389 10847 1 12 . 1 1 154 154 ASN N N 154 114.643 114.643 116.244 -1.601 18389 10848 1 12 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.814 0.370 18389 10849 1 12 . 1 1 154 154 ASN C C 154 173.267 173.267 174.762 -1.495 18389 10850 1 12 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.544 -2.629 18389 10851 1 12 . 1 1 154 154 ASN CB C 154 36.713 36.713 39.838 -3.125 18389 10852 1 12 . 1 1 154 154 ASN H H 154 8.141 8.141 7.802 0.339 18389 10853 1 12 . 1 1 156 156 LYS N N 156 119.099 119.099 120.476 -1.377 18389 10854 1 12 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.279 0.459 18389 10855 1 12 . 1 1 156 156 LYS C C 156 173.965 173.965 175.880 -1.915 18389 10856 1 12 . 1 1 156 156 LYS CA C 156 53.872 53.872 57.151 -3.279 18389 10857 1 12 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.344 -2.918 18389 10858 1 12 . 1 1 156 156 LYS H H 156 8.298 8.298 8.075 0.223 18389 10859 1 12 . 1 1 157 157 SER N N 157 115.584 115.584 113.207 2.377 18389 10860 1 12 . 1 1 157 157 SER HA H 157 5.055 5.055 5.597 -0.542 18389 10861 1 12 . 1 1 157 157 SER C C 157 169.925 169.925 174.155 -4.230 18389 10862 1 12 . 1 1 157 157 SER CA C 157 55.617 55.617 57.025 -1.408 18389 10863 1 12 . 1 1 157 157 SER CB C 157 63.180 63.180 67.101 -3.921 18389 10864 1 12 . 1 1 157 157 SER H H 157 8.240 8.240 8.549 -0.309 18389 10865 1 12 . 1 1 158 158 GLY N N 158 108.219 108.219 108.368 -0.149 18389 10866 1 12 . 1 1 158 158 GLY C C 158 168.322 168.322 171.317 -2.995 18389 10867 1 12 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.335 -1.770 18389 10868 1 12 . 1 1 158 158 GLY H H 158 6.942 6.942 8.466 -1.524 18389 10869 1 12 . 1 1 159 159 LYS N N 159 116.608 116.608 119.809 -3.201 18389 10870 1 12 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.181 0.340 18389 10871 1 12 . 1 1 159 159 LYS C C 159 172.966 172.966 174.713 -1.747 18389 10872 1 12 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.510 -1.369 18389 10873 1 12 . 1 1 159 159 LYS CB C 159 34.705 34.705 35.405 -0.700 18389 10874 1 12 . 1 1 159 159 LYS H H 159 7.925 7.925 7.917 0.008 18389 10875 1 12 . 1 1 160 160 PHE N N 160 121.804 121.804 121.050 0.754 18389 10876 1 12 . 1 1 160 160 PHE HA H 160 5.525 5.525 4.787 0.738 18389 10877 1 12 . 1 1 160 160 PHE C C 160 168.125 168.125 173.516 -5.391 18389 10878 1 12 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.948 -3.633 18389 10879 1 12 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.261 -4.210 18389 10880 1 12 . 1 1 160 160 PHE H H 160 8.834 8.834 9.065 -0.231 18389 10881 1 12 . 1 1 161 161 VAL N N 161 119.787 119.787 119.124 0.663 18389 10882 1 12 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.110 0.268 18389 10883 1 12 . 1 1 161 161 VAL C C 161 170.736 170.736 174.616 -3.880 18389 10884 1 12 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.298 -3.642 18389 10885 1 12 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.773 -3.836 18389 10886 1 12 . 1 1 161 161 VAL H H 161 9.277 9.277 8.342 0.935 18389 10887 1 12 . 1 1 162 162 VAL N N 162 121.357 121.357 115.169 6.188 18389 10888 1 12 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.213 0.754 18389 10889 1 12 . 1 1 162 162 VAL C C 162 170.928 170.928 174.139 -3.211 18389 10890 1 12 . 1 1 162 162 VAL CA C 162 55.686 55.686 58.689 -3.003 18389 10891 1 12 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.653 -1.811 18389 10892 1 12 . 1 1 162 162 VAL H H 162 8.453 8.453 8.665 -0.212 18389 10893 1 12 . 1 1 163 163 ASP N N 163 119.088 119.088 120.427 -1.339 18389 10894 1 12 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.340 0.239 18389 10895 1 12 . 1 1 163 163 ASP C C 163 172.563 172.563 174.775 -2.212 18389 10896 1 12 . 1 1 163 163 ASP CA C 163 49.482 49.482 53.138 -3.656 18389 10897 1 12 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.239 -2.776 18389 10898 1 12 . 1 1 163 163 ASP H H 163 9.233 9.233 8.997 0.236 18389 10899 1 12 . 1 1 164 164 ASN N N 164 117.316 117.316 117.215 0.101 18389 10900 1 12 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.452 0.198 18389 10901 1 12 . 1 1 164 164 ASN C C 164 170.940 170.940 174.436 -3.496 18389 10902 1 12 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.742 -2.070 18389 10903 1 12 . 1 1 164 164 ASN CB C 164 35.395 35.395 36.871 -1.476 18389 10904 1 12 . 1 1 164 164 ASN H H 164 9.864 9.864 9.010 0.854 18389 10905 1 12 . 1 1 165 165 ILE N N 165 118.660 118.660 120.128 -1.468 18389 10906 1 12 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.612 0.827 18389 10907 1 12 . 1 1 165 165 ILE C C 165 173.336 173.336 175.682 -2.346 18389 10908 1 12 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.283 -3.128 18389 10909 1 12 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.737 -2.550 18389 10910 1 12 . 1 1 165 165 ILE H H 165 8.716 8.716 8.389 0.327 18389 10911 1 12 . 1 1 166 166 LYS N N 166 127.896 127.896 125.647 2.249 18389 10912 1 12 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.016 0.162 18389 10913 1 12 . 1 1 166 166 LYS C C 166 170.453 170.453 174.876 -4.423 18389 10914 1 12 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.540 -2.016 18389 10915 1 12 . 1 1 166 166 LYS CB C 166 35.246 35.246 37.506 -2.260 18389 10916 1 12 . 1 1 166 166 LYS H H 166 9.921 9.921 9.005 0.916 18389 10917 1 12 . 1 1 167 167 LEU N N 167 120.747 120.747 120.537 0.210 18389 10918 1 12 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.893 -0.057 18389 10919 1 12 . 1 1 167 167 LEU C C 167 173.703 173.703 175.715 -2.012 18389 10920 1 12 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.774 -3.195 18389 10921 1 12 . 1 1 167 167 LEU CB C 167 40.711 40.711 43.884 -3.173 18389 10922 1 12 . 1 1 167 167 LEU H H 167 8.552 8.552 8.578 -0.026 18389 10923 1 12 . 1 1 168 168 ILE N N 168 116.914 116.914 120.510 -3.596 18389 10924 1 12 . 1 1 168 168 ILE HA H 168 4.989 4.989 5.077 -0.088 18389 10925 1 12 . 1 1 168 168 ILE C C 168 173.923 173.923 176.793 -2.870 18389 10926 1 12 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.805 -1.429 18389 10927 1 12 . 1 1 168 168 ILE CB C 168 38.938 38.938 39.835 -0.897 18389 10928 1 12 . 1 1 168 168 ILE H H 168 8.523 8.523 9.094 -0.571 18389 10929 1 12 . 1 1 169 169 GLY N N 169 114.527 114.527 113.348 1.179 18389 10930 1 12 . 1 1 169 169 GLY C C 169 169.252 169.252 173.513 -4.261 18389 10931 1 12 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.574 -1.649 18389 10932 1 12 . 1 1 169 169 GLY H H 169 8.942 8.942 9.136 -0.194 18389 10933 1 12 . 1 1 170 170 ALA N N 170 123.678 123.678 122.994 0.684 18389 10934 1 12 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.527 -0.103 18389 10935 1 12 . 1 1 170 170 ALA C C 170 174.985 174.985 176.909 -1.924 18389 10936 1 12 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.499 -2.155 18389 10937 1 12 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.516 -3.429 18389 10938 1 12 . 1 1 170 170 ALA H H 170 8.321 8.321 7.451 0.870 18389 10939 1 12 . 1 1 171 171 LEU N N 171 122.139 122.139 115.804 6.335 18389 10940 1 12 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.647 -0.242 18389 10941 1 12 . 1 1 171 171 LEU C C 171 174.478 174.478 176.352 -1.874 18389 10942 1 12 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.524 -1.890 18389 10943 1 12 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.366 -1.255 18389 10944 1 12 . 1 1 171 171 LEU H H 171 8.182 8.182 8.224 -0.042 18389 10945 1 13 . 1 1 2 2 ALA N N 2 119.048 119.048 124.357 -5.309 18389 10946 1 13 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.396 -0.112 18389 10947 1 13 . 1 1 2 2 ALA C C 2 174.144 174.144 178.017 -3.873 18389 10948 1 13 . 1 1 2 2 ALA CA C 2 48.383 48.383 52.742 -4.359 18389 10949 1 13 . 1 1 2 2 ALA CB C 2 19.829 19.829 18.716 1.113 18389 10950 1 13 . 1 1 2 2 ALA H H 2 9.577 9.577 8.219 1.358 18389 10951 1 13 . 1 1 3 3 SER N N 3 114.278 114.278 112.894 1.384 18389 10952 1 13 . 1 1 3 3 SER C C 3 173.040 173.040 173.500 -0.460 18389 10953 1 13 . 1 1 3 3 SER H H 3 8.152 8.152 8.811 -0.659 18389 10954 1 13 . 1 1 6 6 GLY N N 6 112.362 112.362 113.965 -1.603 18389 10955 1 13 . 1 1 6 6 GLY C C 6 170.686 170.686 173.039 -2.353 18389 10956 1 13 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.331 -2.018 18389 10957 1 13 . 1 1 6 6 GLY H H 6 8.750 8.750 8.832 -0.082 18389 10958 1 13 . 1 1 7 7 GLU N N 7 117.722 117.722 122.570 -4.848 18389 10959 1 13 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.386 0.043 18389 10960 1 13 . 1 1 7 7 GLU C C 7 172.744 172.744 175.507 -2.763 18389 10961 1 13 . 1 1 7 7 GLU CA C 7 52.248 52.248 53.997 -1.749 18389 10962 1 13 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.266 -2.096 18389 10963 1 13 . 1 1 7 7 GLU H H 7 8.078 8.078 7.884 0.194 18389 10964 1 13 . 1 1 8 8 LYS N N 8 122.832 122.832 119.717 3.115 18389 10965 1 13 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.622 -0.083 18389 10966 1 13 . 1 1 8 8 LYS C C 8 171.963 171.963 174.601 -2.638 18389 10967 1 13 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.939 -2.374 18389 10968 1 13 . 1 1 8 8 LYS CB C 8 33.185 33.185 36.076 -2.891 18389 10969 1 13 . 1 1 8 8 LYS H H 8 8.434 8.434 8.616 -0.182 18389 10970 1 13 . 1 1 9 9 MET N N 9 128.562 128.562 123.263 5.299 18389 10971 1 13 . 1 1 9 9 MET HA H 9 4.536 4.536 4.307 0.229 18389 10972 1 13 . 1 1 9 9 MET C C 9 172.911 172.911 175.457 -2.546 18389 10973 1 13 . 1 1 9 9 MET CA C 9 53.012 53.012 56.778 -3.766 18389 10974 1 13 . 1 1 9 9 MET CB C 9 28.376 28.376 33.200 -4.824 18389 10975 1 13 . 1 1 9 9 MET H H 9 8.984 8.984 8.619 0.365 18389 10976 1 13 . 1 1 10 10 LEU N N 10 129.881 129.881 122.967 6.914 18389 10977 1 13 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.645 0.019 18389 10978 1 13 . 1 1 10 10 LEU C C 10 174.887 174.887 175.865 -0.978 18389 10979 1 13 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.176 -1.963 18389 10980 1 13 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.998 -3.599 18389 10981 1 13 . 1 1 10 10 LEU H H 10 9.751 9.751 8.857 0.894 18389 10982 1 13 . 1 1 11 11 ASP N N 11 115.516 115.516 116.271 -0.755 18389 10983 1 13 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.666 0.057 18389 10984 1 13 . 1 1 11 11 ASP C C 11 170.836 170.836 173.744 -2.908 18389 10985 1 13 . 1 1 11 11 ASP CA C 11 53.583 53.583 54.259 -0.676 18389 10986 1 13 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.482 -3.263 18389 10987 1 13 . 1 1 11 11 ASP H H 11 8.110 8.110 7.963 0.147 18389 10988 1 13 . 1 1 12 12 ASP N N 12 124.144 124.144 124.830 -0.686 18389 10989 1 13 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.844 0.007 18389 10990 1 13 . 1 1 12 12 ASP C C 12 175.055 175.055 175.678 -0.623 18389 10991 1 13 . 1 1 12 12 ASP CA C 12 50.310 50.310 51.815 -1.505 18389 10992 1 13 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.672 -3.477 18389 10993 1 13 . 1 1 12 12 ASP H H 12 8.053 8.053 8.535 -0.482 18389 10994 1 13 . 1 1 13 13 PHE N N 13 117.584 117.584 114.850 2.734 18389 10995 1 13 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.226 0.046 18389 10996 1 13 . 1 1 13 13 PHE C C 13 171.960 171.960 175.189 -3.229 18389 10997 1 13 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.014 -0.101 18389 10998 1 13 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.793 -4.618 18389 10999 1 13 . 1 1 13 13 PHE H H 13 9.327 9.327 7.550 1.777 18389 11000 1 13 . 1 1 14 14 GLU N N 14 113.122 113.122 117.859 -4.737 18389 11001 1 13 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.465 0.584 18389 11002 1 13 . 1 1 14 14 GLU C C 14 175.300 175.300 177.728 -2.428 18389 11003 1 13 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.428 -5.447 18389 11004 1 13 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.621 -4.627 18389 11005 1 13 . 1 1 14 14 GLU H H 14 8.165 8.165 8.265 -0.100 18389 11006 1 13 . 1 1 15 15 GLY N N 15 110.108 110.108 108.695 1.413 18389 11007 1 13 . 1 1 15 15 GLY C C 15 171.609 171.609 174.235 -2.626 18389 11008 1 13 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.690 -2.836 18389 11009 1 13 . 1 1 15 15 GLY H H 15 8.117 8.117 7.884 0.233 18389 11010 1 13 . 1 1 16 16 VAL N N 16 121.792 121.792 121.301 0.491 18389 11011 1 13 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.183 0.088 18389 11012 1 13 . 1 1 16 16 VAL C C 16 173.203 173.203 175.953 -2.750 18389 11013 1 13 . 1 1 16 16 VAL CA C 16 59.283 59.283 61.762 -2.479 18389 11014 1 13 . 1 1 16 16 VAL CB C 16 30.201 30.201 33.339 -3.138 18389 11015 1 13 . 1 1 16 16 VAL H H 16 8.190 8.190 8.098 0.092 18389 11016 1 13 . 1 1 17 17 LEU N N 17 124.682 124.682 127.464 -2.782 18389 11017 1 13 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.545 0.353 18389 11018 1 13 . 1 1 17 17 LEU C C 17 174.685 174.685 176.847 -2.162 18389 11019 1 13 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.564 -2.766 18389 11020 1 13 . 1 1 17 17 LEU CB C 17 39.136 39.136 41.897 -2.761 18389 11021 1 13 . 1 1 17 17 LEU H H 17 8.500 8.500 8.680 -0.180 18389 11022 1 13 . 1 1 18 18 ASN N N 18 127.589 127.589 123.905 3.684 18389 11023 1 13 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.805 0.342 18389 11024 1 13 . 1 1 18 18 ASN C C 18 171.583 171.583 173.883 -2.300 18389 11025 1 13 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.402 -1.425 18389 11026 1 13 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.350 -1.207 18389 11027 1 13 . 1 1 18 18 ASN H H 18 9.956 9.956 8.767 1.189 18389 11028 1 13 . 1 1 19 19 TRP N N 19 119.913 119.913 119.660 0.253 18389 11029 1 13 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.256 -0.198 18389 11030 1 13 . 1 1 19 19 TRP C C 19 174.918 174.918 176.972 -2.054 18389 11031 1 13 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.396 -1.020 18389 11032 1 13 . 1 1 19 19 TRP CB C 19 27.400 27.400 32.219 -4.819 18389 11033 1 13 . 1 1 19 19 TRP H H 19 7.057 7.057 7.325 -0.268 18389 11034 1 13 . 1 1 20 20 GLY N N 20 112.934 112.934 110.408 2.526 18389 11035 1 13 . 1 1 20 20 GLY C C 20 171.436 171.436 173.759 -2.323 18389 11036 1 13 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.612 -3.672 18389 11037 1 13 . 1 1 20 20 GLY H H 20 9.622 9.622 8.908 0.714 18389 11038 1 13 . 1 1 21 21 SER N N 21 114.752 114.752 121.548 -6.796 18389 11039 1 13 . 1 1 21 21 SER HA H 21 5.686 5.686 5.037 0.649 18389 11040 1 13 . 1 1 21 21 SER C C 21 170.314 170.314 173.833 -3.519 18389 11041 1 13 . 1 1 21 21 SER CA C 21 55.911 55.911 58.193 -2.282 18389 11042 1 13 . 1 1 21 21 SER CB C 21 64.070 64.070 64.566 -0.496 18389 11043 1 13 . 1 1 21 21 SER H H 21 8.899 8.899 8.591 0.308 18389 11044 1 13 . 1 1 22 22 TYR N N 22 118.001 118.001 121.667 -3.666 18389 11045 1 13 . 1 1 22 22 TYR HA H 22 5.300 5.300 5.035 0.265 18389 11046 1 13 . 1 1 22 22 TYR C C 22 170.760 170.760 173.240 -2.480 18389 11047 1 13 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.731 -3.081 18389 11048 1 13 . 1 1 22 22 TYR CB C 22 37.824 37.824 39.698 -1.874 18389 11049 1 13 . 1 1 22 22 TYR H H 22 8.807 8.807 8.358 0.449 18389 11050 1 13 . 1 1 23 23 SER N N 23 109.826 109.826 115.075 -5.249 18389 11051 1 13 . 1 1 23 23 SER HA H 23 4.912 4.912 4.597 0.315 18389 11052 1 13 . 1 1 23 23 SER C C 23 169.918 169.918 173.808 -3.890 18389 11053 1 13 . 1 1 23 23 SER CA C 23 55.664 55.664 56.923 -1.259 18389 11054 1 13 . 1 1 23 23 SER CB C 23 62.361 62.361 65.992 -3.631 18389 11055 1 13 . 1 1 23 23 SER H H 23 8.435 8.435 8.165 0.270 18389 11056 1 13 . 1 1 24 24 GLY N N 24 103.788 103.788 108.158 -4.370 18389 11057 1 13 . 1 1 24 24 GLY C C 24 170.240 170.240 175.610 -5.370 18389 11058 1 13 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.044 -1.277 18389 11059 1 13 . 1 1 24 24 GLY H H 24 7.339 7.339 7.980 -0.641 18389 11060 1 13 . 1 1 25 25 GLU N N 25 116.420 116.420 119.216 -2.796 18389 11061 1 13 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.062 0.047 18389 11062 1 13 . 1 1 25 25 GLU C C 25 173.683 173.683 177.795 -4.112 18389 11063 1 13 . 1 1 25 25 GLU CA C 25 53.687 53.687 58.550 -4.864 18389 11064 1 13 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.271 -4.125 18389 11065 1 13 . 1 1 25 25 GLU H H 25 8.962 8.962 8.579 0.383 18389 11066 1 13 . 1 1 26 26 GLY N N 26 106.660 106.660 105.003 1.657 18389 11067 1 13 . 1 1 26 26 GLY C C 26 171.638 171.638 173.503 -1.865 18389 11068 1 13 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.388 -1.215 18389 11069 1 13 . 1 1 26 26 GLY H H 26 8.483 8.483 8.234 0.249 18389 11070 1 13 . 1 1 27 27 ALA N N 27 123.407 123.407 121.832 1.575 18389 11071 1 13 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.702 -0.055 18389 11072 1 13 . 1 1 27 27 ALA C C 27 174.232 174.232 175.529 -1.297 18389 11073 1 13 . 1 1 27 27 ALA CA C 27 49.563 49.563 50.557 -0.994 18389 11074 1 13 . 1 1 27 27 ALA CB C 27 17.538 17.538 21.768 -4.231 18389 11075 1 13 . 1 1 27 27 ALA H H 27 7.182 7.182 7.526 -0.344 18389 11076 1 13 . 1 1 28 28 LYS N N 28 117.590 117.590 120.080 -2.490 18389 11077 1 13 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.711 0.181 18389 11078 1 13 . 1 1 28 28 LYS C C 28 171.365 171.365 174.169 -2.804 18389 11079 1 13 . 1 1 28 28 LYS CA C 28 52.419 52.419 56.798 -4.379 18389 11080 1 13 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.378 -1.834 18389 11081 1 13 . 1 1 28 28 LYS H H 28 8.650 8.650 8.848 -0.198 18389 11082 1 13 . 1 1 29 29 VAL N N 29 118.148 118.148 125.468 -7.320 18389 11083 1 13 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.882 0.359 18389 11084 1 13 . 1 1 29 29 VAL C C 29 169.809 169.809 174.855 -5.046 18389 11085 1 13 . 1 1 29 29 VAL CA C 29 57.083 57.083 59.779 -2.696 18389 11086 1 13 . 1 1 29 29 VAL CB C 29 31.475 31.475 34.452 -2.977 18389 11087 1 13 . 1 1 29 29 VAL H H 29 8.327 8.327 8.581 -0.254 18389 11088 1 13 . 1 1 30 30 SER N N 30 120.964 120.964 121.181 -0.217 18389 11089 1 13 . 1 1 30 30 SER HA H 30 4.993 4.993 4.784 0.209 18389 11090 1 13 . 1 1 30 30 SER C C 30 170.354 170.354 172.384 -2.030 18389 11091 1 13 . 1 1 30 30 SER CA C 30 54.438 54.438 57.802 -3.364 18389 11092 1 13 . 1 1 30 30 SER CB C 30 63.262 63.262 65.805 -2.543 18389 11093 1 13 . 1 1 30 30 SER H H 30 8.797 8.797 8.702 0.095 18389 11094 1 13 . 1 1 31 31 THR N N 31 112.970 112.970 116.310 -3.340 18389 11095 1 13 . 1 1 31 31 THR HA H 31 5.618 5.618 5.179 0.439 18389 11096 1 13 . 1 1 31 31 THR C C 31 171.857 171.857 174.028 -2.171 18389 11097 1 13 . 1 1 31 31 THR CA C 31 56.212 56.212 61.275 -5.063 18389 11098 1 13 . 1 1 31 31 THR CB C 31 69.719 69.719 71.332 -1.613 18389 11099 1 13 . 1 1 31 31 THR H H 31 8.384 8.384 8.486 -0.102 18389 11100 1 13 . 1 1 32 32 LYS N N 32 119.710 119.710 124.284 -4.574 18389 11101 1 13 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.799 -0.073 18389 11102 1 13 . 1 1 32 32 LYS C C 32 171.734 171.734 175.132 -3.398 18389 11103 1 13 . 1 1 32 32 LYS CA C 32 52.973 52.973 53.865 -0.892 18389 11104 1 13 . 1 1 32 32 LYS CB C 32 34.094 34.094 35.573 -1.479 18389 11105 1 13 . 1 1 32 32 LYS H H 32 8.530 8.530 9.179 -0.649 18389 11106 1 13 . 1 1 33 33 ILE N N 33 124.276 124.276 121.960 2.316 18389 11107 1 13 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.713 0.261 18389 11108 1 13 . 1 1 33 33 ILE C C 33 173.578 173.578 176.585 -3.007 18389 11109 1 13 . 1 1 33 33 ILE CA C 33 57.439 57.439 59.420 -1.981 18389 11110 1 13 . 1 1 33 33 ILE CB C 33 33.463 33.463 37.860 -4.397 18389 11111 1 13 . 1 1 33 33 ILE H H 33 8.669 8.669 8.451 0.218 18389 11112 1 13 . 1 1 34 34 VAL N N 34 121.698 121.698 121.721 -0.023 18389 11113 1 13 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.706 0.161 18389 11114 1 13 . 1 1 34 34 VAL C C 34 172.702 172.702 174.430 -1.728 18389 11115 1 13 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.852 -3.193 18389 11116 1 13 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.785 -0.876 18389 11117 1 13 . 1 1 34 34 VAL H H 34 8.463 8.463 8.389 0.074 18389 11118 1 13 . 1 1 35 35 SER N N 35 115.704 115.704 115.790 -0.086 18389 11119 1 13 . 1 1 35 35 SER HA H 35 4.590 4.590 4.579 0.011 18389 11120 1 13 . 1 1 35 35 SER CA C 35 58.345 58.345 58.840 -0.495 18389 11121 1 13 . 1 1 35 35 SER CB C 35 60.619 60.619 63.492 -2.873 18389 11122 1 13 . 1 1 35 35 SER H H 35 8.271 8.271 8.443 -0.172 18389 11123 1 13 . 1 1 36 36 GLY N N 36 113.970 113.970 112.674 1.296 18389 11124 1 13 . 1 1 36 36 GLY C C 36 170.257 170.257 173.704 -3.447 18389 11125 1 13 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.374 -3.676 18389 11126 1 13 . 1 1 36 36 GLY H H 36 9.267 9.267 8.048 1.219 18389 11127 1 13 . 1 1 37 37 LYS N N 37 129.227 129.227 117.796 11.431 18389 11128 1 13 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.216 -0.861 18389 11129 1 13 . 1 1 37 37 LYS C C 37 174.912 174.912 177.122 -2.210 18389 11130 1 13 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.256 -2.701 18389 11131 1 13 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.684 -3.276 18389 11132 1 13 . 1 1 37 37 LYS H H 37 8.484 8.484 8.584 -0.099 18389 11133 1 13 . 1 1 38 38 THR N N 38 109.924 109.924 111.961 -2.037 18389 11134 1 13 . 1 1 38 38 THR HA H 38 4.398 4.398 4.502 -0.104 18389 11135 1 13 . 1 1 38 38 THR C C 38 171.818 171.818 173.683 -1.865 18389 11136 1 13 . 1 1 38 38 THR CA C 38 57.223 57.223 61.363 -4.140 18389 11137 1 13 . 1 1 38 38 THR CB C 38 67.805 67.805 69.933 -2.128 18389 11138 1 13 . 1 1 38 38 THR H H 38 7.549 7.549 8.322 -0.773 18389 11139 1 13 . 1 1 40 40 ASN N N 40 129.674 129.674 122.791 6.883 18389 11140 1 13 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.019 0.504 18389 11141 1 13 . 1 1 40 40 ASN C C 40 173.717 173.717 174.979 -1.262 18389 11142 1 13 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.420 -2.098 18389 11143 1 13 . 1 1 40 40 ASN CB C 40 38.188 38.188 41.139 -2.951 18389 11144 1 13 . 1 1 40 40 ASN H H 40 10.958 10.958 8.878 2.080 18389 11145 1 13 . 1 1 41 41 GLY N N 41 111.261 111.261 106.452 4.809 18389 11146 1 13 . 1 1 41 41 GLY C C 41 166.652 166.652 172.215 -5.563 18389 11147 1 13 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.241 -1.530 18389 11148 1 13 . 1 1 41 41 GLY H H 41 9.674 9.674 8.695 0.979 18389 11149 1 13 . 1 1 42 42 MET N N 42 119.165 119.165 119.045 0.120 18389 11150 1 13 . 1 1 42 42 MET HA H 42 4.849 4.849 5.136 -0.287 18389 11151 1 13 . 1 1 42 42 MET C C 42 171.154 171.154 173.456 -2.302 18389 11152 1 13 . 1 1 42 42 MET CA C 42 51.503 51.503 54.219 -2.716 18389 11153 1 13 . 1 1 42 42 MET CB C 42 33.293 33.293 36.133 -2.840 18389 11154 1 13 . 1 1 42 42 MET H H 42 7.550 7.550 8.377 -0.827 18389 11155 1 13 . 1 1 43 43 GLU N N 43 128.221 128.221 126.045 2.176 18389 11156 1 13 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.267 -0.401 18389 11157 1 13 . 1 1 43 43 GLU C C 43 172.612 172.612 174.029 -1.417 18389 11158 1 13 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.169 -2.490 18389 11159 1 13 . 1 1 43 43 GLU CB C 43 30.396 30.396 34.306 -3.910 18389 11160 1 13 . 1 1 43 43 GLU H H 43 9.355 9.355 8.976 0.379 18389 11161 1 13 . 1 1 44 44 VAL N N 44 131.011 131.011 124.747 6.264 18389 11162 1 13 . 1 1 44 44 VAL HA H 44 4.362 4.362 5.041 -0.679 18389 11163 1 13 . 1 1 44 44 VAL C C 44 171.752 171.752 173.264 -1.512 18389 11164 1 13 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.541 -1.206 18389 11165 1 13 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.127 -6.177 18389 11166 1 13 . 1 1 44 44 VAL H H 44 9.002 9.002 9.132 -0.130 18389 11167 1 13 . 1 1 45 45 SER N N 45 120.764 120.764 122.853 -2.089 18389 11168 1 13 . 1 1 45 45 SER HA H 45 4.975 4.975 5.508 -0.533 18389 11169 1 13 . 1 1 45 45 SER C C 45 170.500 170.500 172.950 -2.450 18389 11170 1 13 . 1 1 45 45 SER CA C 45 53.547 53.547 56.205 -2.658 18389 11171 1 13 . 1 1 45 45 SER CB C 45 61.650 61.650 65.322 -3.672 18389 11172 1 13 . 1 1 45 45 SER H H 45 8.511 8.511 8.632 -0.121 18389 11173 1 13 . 1 1 46 46 TYR N N 46 123.478 123.478 123.501 -0.023 18389 11174 1 13 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.535 -0.260 18389 11175 1 13 . 1 1 46 46 TYR C C 46 171.644 171.644 173.688 -2.044 18389 11176 1 13 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.798 -3.563 18389 11177 1 13 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.335 -3.870 18389 11178 1 13 . 1 1 46 46 TYR H H 46 8.511 8.511 9.251 -0.740 18389 11179 1 13 . 1 1 47 47 THR N N 47 118.641 118.641 117.984 0.657 18389 11180 1 13 . 1 1 47 47 THR HA H 47 4.793 4.793 4.293 0.500 18389 11181 1 13 . 1 1 47 47 THR C C 47 171.614 171.614 173.999 -2.385 18389 11182 1 13 . 1 1 47 47 THR CA C 47 58.267 58.267 61.279 -3.012 18389 11183 1 13 . 1 1 47 47 THR CB C 47 68.820 68.820 70.224 -1.404 18389 11184 1 13 . 1 1 47 47 THR H H 47 8.935 8.935 8.643 0.292 18389 11185 1 13 . 1 1 48 48 GLY N N 48 112.467 112.467 112.221 0.246 18389 11186 1 13 . 1 1 48 48 GLY C C 48 170.521 170.521 172.203 -1.682 18389 11187 1 13 . 1 1 48 48 GLY CA C 48 42.076 42.076 42.870 -0.793 18389 11188 1 13 . 1 1 48 48 GLY H H 48 7.723 7.723 7.739 -0.016 18389 11189 1 13 . 1 1 49 49 THR N N 49 106.823 106.823 109.932 -3.109 18389 11190 1 13 . 1 1 49 49 THR HA H 49 4.913 4.913 4.516 0.397 18389 11191 1 13 . 1 1 49 49 THR C C 49 172.529 172.529 174.958 -2.429 18389 11192 1 13 . 1 1 49 49 THR CA C 49 57.385 57.385 59.690 -2.305 18389 11193 1 13 . 1 1 49 49 THR CB C 49 69.609 69.609 71.414 -1.805 18389 11194 1 13 . 1 1 49 49 THR H H 49 8.019 8.019 6.969 1.050 18389 11195 1 13 . 1 1 51 51 ASP N N 51 118.095 118.095 121.344 -3.249 18389 11196 1 13 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.819 0.185 18389 11197 1 13 . 1 1 51 51 ASP C C 51 172.913 172.913 176.888 -3.975 18389 11198 1 13 . 1 1 51 51 ASP CA C 51 52.245 52.245 55.157 -2.912 18389 11199 1 13 . 1 1 51 51 ASP CB C 51 38.770 38.770 42.011 -3.241 18389 11200 1 13 . 1 1 51 51 ASP H H 51 8.613 8.613 8.381 0.232 18389 11201 1 13 . 1 1 52 52 GLY N N 52 107.075 107.075 106.957 0.118 18389 11202 1 13 . 1 1 52 52 GLY C C 52 169.748 169.748 172.913 -3.165 18389 11203 1 13 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.265 -2.359 18389 11204 1 13 . 1 1 52 52 GLY H H 52 7.651 7.651 7.684 -0.033 18389 11205 1 13 . 1 1 53 53 TYR N N 53 112.556 112.556 115.321 -2.765 18389 11206 1 13 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.362 -0.741 18389 11207 1 13 . 1 1 53 53 TYR C C 53 169.219 169.219 173.402 -4.183 18389 11208 1 13 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.299 -4.193 18389 11209 1 13 . 1 1 53 53 TYR CB C 53 39.030 39.030 39.664 -0.634 18389 11210 1 13 . 1 1 53 53 TYR H H 53 6.918 6.918 8.033 -1.115 18389 11211 1 13 . 1 1 54 54 TRP N N 54 112.748 112.748 118.000 -5.252 18389 11212 1 13 . 1 1 54 54 TRP HA H 54 5.379 5.379 4.946 0.433 18389 11213 1 13 . 1 1 54 54 TRP C C 54 171.085 171.085 175.005 -3.920 18389 11214 1 13 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.028 -2.768 18389 11215 1 13 . 1 1 54 54 TRP CB C 54 29.975 29.975 31.342 -1.367 18389 11216 1 13 . 1 1 54 54 TRP H H 54 6.406 6.406 7.506 -1.100 18389 11217 1 13 . 1 1 55 55 GLY N N 55 108.552 108.552 104.430 4.122 18389 11218 1 13 . 1 1 55 55 GLY C C 55 168.023 168.023 172.116 -4.093 18389 11219 1 13 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.154 -1.706 18389 11220 1 13 . 1 1 55 55 GLY H H 55 8.689 8.689 7.885 0.804 18389 11221 1 13 . 1 1 56 56 THR N N 56 113.376 113.376 116.824 -3.448 18389 11222 1 13 . 1 1 56 56 THR HA H 56 5.868 5.868 4.782 1.086 18389 11223 1 13 . 1 1 56 56 THR C C 56 170.376 170.376 172.785 -2.409 18389 11224 1 13 . 1 1 56 56 THR CA C 56 57.238 57.238 61.548 -4.310 18389 11225 1 13 . 1 1 56 56 THR CB C 56 69.053 69.053 70.760 -1.707 18389 11226 1 13 . 1 1 56 56 THR H H 56 9.518 9.518 8.077 1.441 18389 11227 1 13 . 1 1 57 57 VAL N N 57 123.361 123.361 126.942 -3.581 18389 11228 1 13 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.373 1.080 18389 11229 1 13 . 1 1 57 57 VAL C C 57 169.082 169.082 173.843 -4.761 18389 11230 1 13 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.099 -5.050 18389 11231 1 13 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.459 -2.111 18389 11232 1 13 . 1 1 57 57 VAL H H 57 8.956 8.956 8.022 0.934 18389 11233 1 13 . 1 1 58 58 TYR N N 58 131.224 131.224 127.725 3.499 18389 11234 1 13 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.498 0.078 18389 11235 1 13 . 1 1 58 58 TYR C C 58 172.050 172.050 173.813 -1.763 18389 11236 1 13 . 1 1 58 58 TYR CA C 58 51.582 51.582 55.860 -4.278 18389 11237 1 13 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.335 -6.374 18389 11238 1 13 . 1 1 58 58 TYR H H 58 8.641 8.641 7.982 0.659 18389 11239 1 13 . 1 1 59 59 SER N N 59 123.126 123.126 120.066 3.060 18389 11240 1 13 . 1 1 59 59 SER HA H 59 4.304 4.304 4.696 -0.392 18389 11241 1 13 . 1 1 59 59 SER C C 59 170.891 170.891 174.163 -3.272 18389 11242 1 13 . 1 1 59 59 SER CA C 59 55.452 55.452 56.539 -1.087 18389 11243 1 13 . 1 1 59 59 SER CB C 59 60.048 60.048 63.743 -3.695 18389 11244 1 13 . 1 1 59 59 SER H H 59 8.217 8.217 8.374 -0.157 18389 11245 1 13 . 1 1 60 60 LEU N N 60 126.809 126.809 129.246 -2.437 18389 11246 1 13 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.717 -0.464 18389 11247 1 13 . 1 1 60 60 LEU C C 60 173.994 173.994 176.545 -2.551 18389 11248 1 13 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.262 -3.212 18389 11249 1 13 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.252 -2.895 18389 11250 1 13 . 1 1 60 60 LEU H H 60 7.838 7.838 8.655 -0.817 18389 11251 1 13 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.379 0.194 18389 11252 1 13 . 1 1 61 61 PRO C C 61 173.514 173.514 176.697 -3.183 18389 11253 1 13 . 1 1 61 61 PRO CA C 61 61.252 61.252 63.892 -2.640 18389 11254 1 13 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.103 -2.788 18389 11255 1 13 . 1 1 62 62 ASP N N 62 115.943 115.943 116.218 -0.275 18389 11256 1 13 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.622 0.217 18389 11257 1 13 . 1 1 62 62 ASP C C 62 172.949 172.949 174.054 -1.105 18389 11258 1 13 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.824 -3.118 18389 11259 1 13 . 1 1 62 62 ASP CB C 62 40.031 40.031 43.370 -3.339 18389 11260 1 13 . 1 1 62 62 ASP H H 62 7.018 7.018 7.861 -0.843 18389 11261 1 13 . 1 1 63 63 GLY N N 63 112.680 112.680 107.446 5.234 18389 11262 1 13 . 1 1 63 63 GLY C C 63 170.273 170.273 172.891 -2.618 18389 11263 1 13 . 1 1 63 63 GLY CA C 63 43.001 43.001 43.785 -0.784 18389 11264 1 13 . 1 1 63 63 GLY H H 63 8.417 8.417 8.439 -0.022 18389 11265 1 13 . 1 1 64 64 ASP N N 64 115.221 115.221 120.908 -5.687 18389 11266 1 13 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.605 0.688 18389 11267 1 13 . 1 1 64 64 ASP C C 64 174.354 174.354 175.997 -1.643 18389 11268 1 13 . 1 1 64 64 ASP CA C 64 50.267 50.267 53.722 -3.455 18389 11269 1 13 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.353 -4.013 18389 11270 1 13 . 1 1 64 64 ASP H H 64 7.766 7.766 7.565 0.201 18389 11271 1 13 . 1 1 65 65 TRP N N 65 130.747 130.747 119.637 11.110 18389 11272 1 13 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.004 0.427 18389 11273 1 13 . 1 1 65 65 TRP C C 65 173.930 173.930 175.978 -2.048 18389 11274 1 13 . 1 1 65 65 TRP CA C 65 52.044 52.044 54.396 -2.352 18389 11275 1 13 . 1 1 65 65 TRP CB C 65 26.607 26.607 27.286 -0.679 18389 11276 1 13 . 1 1 65 65 TRP H H 65 9.687 9.687 7.155 2.532 18389 11277 1 13 . 1 1 66 66 SER N N 66 114.151 114.151 118.821 -4.670 18389 11278 1 13 . 1 1 66 66 SER HA H 66 4.041 4.041 4.309 -0.268 18389 11279 1 13 . 1 1 66 66 SER CA C 66 59.812 59.812 59.000 0.812 18389 11280 1 13 . 1 1 66 66 SER CB C 66 60.892 60.892 61.733 -0.841 18389 11281 1 13 . 1 1 66 66 SER H H 66 8.568 8.568 8.214 0.354 18389 11282 1 13 . 1 1 70 70 LYS N N 70 117.090 117.090 115.949 1.141 18389 11283 1 13 . 1 1 70 70 LYS HA H 70 4.398 4.398 5.072 -0.674 18389 11284 1 13 . 1 1 70 70 LYS C C 70 170.030 170.030 174.698 -4.668 18389 11285 1 13 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.834 -3.975 18389 11286 1 13 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.277 -1.321 18389 11287 1 13 . 1 1 70 70 LYS H H 70 8.308 8.308 7.656 0.652 18389 11288 1 13 . 1 1 71 71 ILE N N 71 118.764 118.764 120.712 -1.948 18389 11289 1 13 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.169 1.045 18389 11290 1 13 . 1 1 71 71 ILE C C 71 169.396 169.396 174.251 -4.855 18389 11291 1 13 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.802 -4.469 18389 11292 1 13 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.164 -0.518 18389 11293 1 13 . 1 1 71 71 ILE H H 71 7.816 7.816 8.471 -0.655 18389 11294 1 13 . 1 1 72 72 SER N N 72 120.952 120.952 117.149 3.803 18389 11295 1 13 . 1 1 72 72 SER HA H 72 5.852 5.852 4.868 0.984 18389 11296 1 13 . 1 1 72 72 SER C C 72 170.208 170.208 172.561 -2.353 18389 11297 1 13 . 1 1 72 72 SER CA C 72 52.457 52.457 56.064 -3.607 18389 11298 1 13 . 1 1 72 72 SER CB C 72 64.125 64.125 64.885 -0.760 18389 11299 1 13 . 1 1 72 72 SER H H 72 9.237 9.237 8.517 0.721 18389 11300 1 13 . 1 1 73 73 PHE N N 73 117.161 117.161 120.089 -2.928 18389 11301 1 13 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.487 -0.116 18389 11302 1 13 . 1 1 73 73 PHE C C 73 170.381 170.381 173.566 -3.185 18389 11303 1 13 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.339 -1.542 18389 11304 1 13 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.312 -2.740 18389 11305 1 13 . 1 1 73 73 PHE H H 73 8.093 8.093 7.517 0.576 18389 11306 1 13 . 1 1 74 74 ASP N N 74 120.210 120.210 121.372 -1.162 18389 11307 1 13 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.268 0.886 18389 11308 1 13 . 1 1 74 74 ASP C C 74 173.653 173.653 174.497 -0.844 18389 11309 1 13 . 1 1 74 74 ASP CA C 74 50.896 50.896 54.464 -3.568 18389 11310 1 13 . 1 1 74 74 ASP CB C 74 41.487 41.487 41.769 -0.282 18389 11311 1 13 . 1 1 74 74 ASP H H 74 8.993 8.993 8.224 0.769 18389 11312 1 13 . 1 1 75 75 ILE N N 75 121.051 121.051 124.776 -3.725 18389 11313 1 13 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.479 0.774 18389 11314 1 13 . 1 1 75 75 ILE C C 75 171.229 171.229 173.574 -2.345 18389 11315 1 13 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.288 -1.767 18389 11316 1 13 . 1 1 75 75 ILE CB C 75 41.521 41.521 42.294 -0.773 18389 11317 1 13 . 1 1 75 75 ILE H H 75 9.681 9.681 8.212 1.469 18389 11318 1 13 . 1 1 76 76 LYS N N 76 124.693 124.693 126.261 -1.568 18389 11319 1 13 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.375 -0.544 18389 11320 1 13 . 1 1 76 76 LYS C C 76 172.283 172.283 174.600 -2.317 18389 11321 1 13 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.493 -1.091 18389 11322 1 13 . 1 1 76 76 LYS CB C 76 32.722 32.722 36.114 -3.392 18389 11323 1 13 . 1 1 76 76 LYS H H 76 8.454 8.454 9.378 -0.924 18389 11324 1 13 . 1 1 77 77 SER N N 77 118.916 118.916 115.858 3.058 18389 11325 1 13 . 1 1 77 77 SER HA H 77 4.816 4.816 5.011 -0.195 18389 11326 1 13 . 1 1 77 77 SER C C 77 172.741 172.741 174.688 -1.947 18389 11327 1 13 . 1 1 77 77 SER CA C 77 55.341 55.341 57.484 -2.143 18389 11328 1 13 . 1 1 77 77 SER CB C 77 61.792 61.792 64.034 -2.242 18389 11329 1 13 . 1 1 77 77 SER H H 77 9.236 9.236 8.836 0.400 18389 11330 1 13 . 1 1 78 78 VAL N N 78 120.723 120.723 126.749 -6.026 18389 11331 1 13 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.211 0.123 18389 11332 1 13 . 1 1 78 78 VAL C C 78 172.941 172.941 175.361 -2.420 18389 11333 1 13 . 1 1 78 78 VAL CA C 78 59.795 59.795 60.788 -0.993 18389 11334 1 13 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.602 -2.334 18389 11335 1 13 . 1 1 78 78 VAL H H 78 8.132 8.132 8.688 -0.556 18389 11336 1 13 . 1 1 79 79 ASP N N 79 119.240 119.240 120.525 -1.285 18389 11337 1 13 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.375 0.366 18389 11338 1 13 . 1 1 79 79 ASP C C 79 174.199 174.199 177.167 -2.968 18389 11339 1 13 . 1 1 79 79 ASP CA C 79 51.112 51.112 55.856 -4.744 18389 11340 1 13 . 1 1 79 79 ASP CB C 79 39.073 39.073 41.401 -2.328 18389 11341 1 13 . 1 1 79 79 ASP H H 79 8.190 8.190 7.743 0.447 18389 11342 1 13 . 1 1 80 80 GLY N N 80 108.323 108.323 106.718 1.605 18389 11343 1 13 . 1 1 80 80 GLY C C 80 171.858 171.858 174.781 -2.923 18389 11344 1 13 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.261 -2.158 18389 11345 1 13 . 1 1 80 80 GLY H H 80 8.275 8.275 7.818 0.457 18389 11346 1 13 . 1 1 81 81 SER N N 81 116.291 116.291 117.443 -1.152 18389 11347 1 13 . 1 1 81 81 SER HA H 81 4.588 4.588 4.574 0.014 18389 11348 1 13 . 1 1 81 81 SER C C 81 171.588 171.588 174.579 -2.991 18389 11349 1 13 . 1 1 81 81 SER CA C 81 55.552 55.552 57.447 -1.895 18389 11350 1 13 . 1 1 81 81 SER CB C 81 61.910 61.910 64.401 -2.491 18389 11351 1 13 . 1 1 81 81 SER H H 81 8.201 8.201 8.029 0.172 18389 11352 1 13 . 1 1 82 82 ALA N N 82 128.019 128.019 127.983 0.036 18389 11353 1 13 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.650 0.312 18389 11354 1 13 . 1 1 82 82 ALA C C 82 173.332 173.332 177.538 -4.206 18389 11355 1 13 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.018 -1.939 18389 11356 1 13 . 1 1 82 82 ALA CB C 82 16.570 16.570 18.127 -1.557 18389 11357 1 13 . 1 1 82 82 ALA H H 82 8.613 8.613 8.750 -0.137 18389 11358 1 13 . 1 1 83 83 ASN N N 83 119.651 119.651 121.086 -1.435 18389 11359 1 13 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.686 0.376 18389 11360 1 13 . 1 1 83 83 ASN C C 83 170.848 170.848 174.986 -4.138 18389 11361 1 13 . 1 1 83 83 ASN CA C 83 50.760 50.760 53.480 -2.720 18389 11362 1 13 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.713 0.076 18389 11363 1 13 . 1 1 83 83 ASN H H 83 8.153 8.153 8.127 0.026 18389 11364 1 13 . 1 1 84 84 GLU N N 84 127.150 127.150 121.497 5.653 18389 11365 1 13 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.477 0.235 18389 11366 1 13 . 1 1 84 84 GLU C C 84 171.647 171.647 175.231 -3.584 18389 11367 1 13 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.600 -0.828 18389 11368 1 13 . 1 1 84 84 GLU CB C 84 28.701 28.701 31.462 -2.761 18389 11369 1 13 . 1 1 84 84 GLU H H 84 8.122 8.122 8.399 -0.277 18389 11370 1 13 . 1 1 85 85 ILE N N 85 117.590 117.590 113.580 4.010 18389 11371 1 13 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.582 0.051 18389 11372 1 13 . 1 1 85 85 ILE C C 85 171.902 171.902 173.350 -1.448 18389 11373 1 13 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.566 -1.535 18389 11374 1 13 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.655 -1.403 18389 11375 1 13 . 1 1 85 85 ILE H H 85 8.910 8.910 8.483 0.427 18389 11376 1 13 . 1 1 86 86 ARG N N 86 116.697 116.697 119.346 -2.649 18389 11377 1 13 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.581 0.815 18389 11378 1 13 . 1 1 86 86 ARG C C 86 171.787 171.787 174.348 -2.561 18389 11379 1 13 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.190 -1.075 18389 11380 1 13 . 1 1 86 86 ARG CB C 86 32.062 32.062 32.899 -0.837 18389 11381 1 13 . 1 1 86 86 ARG H H 86 9.149 9.149 8.161 0.988 18389 11382 1 13 . 1 1 87 87 PHE N N 87 123.607 123.607 120.906 2.701 18389 11383 1 13 . 1 1 87 87 PHE HA H 87 5.488 5.488 4.507 0.981 18389 11384 1 13 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.820 -2.003 18389 11385 1 13 . 1 1 87 87 PHE CB C 87 40.112 40.112 39.909 0.203 18389 11386 1 13 . 1 1 87 87 PHE H H 87 9.235 9.235 8.371 0.864 18389 11387 1 13 . 1 1 88 88 MET N N 88 129.893 129.893 120.429 9.464 18389 11388 1 13 . 1 1 88 88 MET HA H 88 5.836 5.836 5.652 0.184 18389 11389 1 13 . 1 1 88 88 MET C C 88 170.768 170.768 174.283 -3.515 18389 11390 1 13 . 1 1 88 88 MET CA C 88 51.118 51.118 54.056 -2.938 18389 11391 1 13 . 1 1 88 88 MET CB C 88 37.224 37.224 37.439 -0.215 18389 11392 1 13 . 1 1 88 88 MET H H 88 8.868 8.868 8.360 0.508 18389 11393 1 13 . 1 1 89 89 ILE N N 89 124.630 124.630 123.436 1.194 18389 11394 1 13 . 1 1 89 89 ILE HA H 89 4.538 4.538 4.981 -0.443 18389 11395 1 13 . 1 1 89 89 ILE C C 89 171.047 171.047 173.837 -2.790 18389 11396 1 13 . 1 1 89 89 ILE CA C 89 57.971 57.971 60.131 -2.160 18389 11397 1 13 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.584 -3.664 18389 11398 1 13 . 1 1 89 89 ILE H H 89 9.258 9.258 9.290 -0.032 18389 11399 1 13 . 1 1 90 90 ALA N N 90 128.743 128.743 129.064 -0.321 18389 11400 1 13 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.100 0.566 18389 11401 1 13 . 1 1 90 90 ALA C C 90 176.041 176.041 176.800 -0.759 18389 11402 1 13 . 1 1 90 90 ALA CA C 90 46.821 46.821 50.014 -3.193 18389 11403 1 13 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.036 -2.705 18389 11404 1 13 . 1 1 90 90 ALA H H 90 8.749 8.749 9.183 -0.434 18389 11405 1 13 . 1 1 91 91 GLU N N 91 121.616 121.616 124.343 -2.727 18389 11406 1 13 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.564 0.154 18389 11407 1 13 . 1 1 91 91 GLU C C 91 174.217 174.217 177.043 -2.826 18389 11408 1 13 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.910 -2.767 18389 11409 1 13 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.847 -2.000 18389 11410 1 13 . 1 1 91 91 GLU H H 91 8.749 8.749 9.050 -0.301 18389 11411 1 13 . 1 1 92 92 LYS N N 92 117.975 117.975 119.549 -1.574 18389 11412 1 13 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.552 -0.183 18389 11413 1 13 . 1 1 92 92 LYS C C 92 174.743 174.743 176.492 -1.749 18389 11414 1 13 . 1 1 92 92 LYS CA C 92 54.360 54.360 55.783 -1.423 18389 11415 1 13 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.837 -3.182 18389 11416 1 13 . 1 1 92 92 LYS H H 92 8.014 8.014 8.178 -0.164 18389 11417 1 13 . 1 1 93 93 SER N N 93 115.092 115.092 114.721 0.371 18389 11418 1 13 . 1 1 93 93 SER HA H 93 4.215 4.215 4.586 -0.371 18389 11419 1 13 . 1 1 93 93 SER C C 93 174.964 174.964 175.603 -0.639 18389 11420 1 13 . 1 1 93 93 SER CA C 93 53.874 53.874 57.365 -3.491 18389 11421 1 13 . 1 1 93 93 SER CB C 93 61.736 61.736 64.017 -2.281 18389 11422 1 13 . 1 1 93 93 SER H H 93 8.083 8.083 8.692 -0.609 18389 11423 1 13 . 1 1 94 94 ILE N N 94 121.880 121.880 120.885 0.995 18389 11424 1 13 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.273 0.113 18389 11425 1 13 . 1 1 94 94 ILE C C 94 174.020 174.020 176.592 -2.572 18389 11426 1 13 . 1 1 94 94 ILE CA C 94 60.345 60.345 61.971 -1.626 18389 11427 1 13 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.159 -2.158 18389 11428 1 13 . 1 1 94 94 ILE H H 94 9.150 9.150 8.673 0.477 18389 11429 1 13 . 1 1 95 95 ASN N N 95 117.349 117.349 119.342 -1.993 18389 11430 1 13 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.818 0.237 18389 11431 1 13 . 1 1 95 95 ASN C C 95 173.659 173.659 175.899 -2.240 18389 11432 1 13 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.954 -3.567 18389 11433 1 13 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.513 -1.847 18389 11434 1 13 . 1 1 95 95 ASN H H 95 8.163 8.163 8.157 0.006 18389 11435 1 13 . 1 1 96 96 GLY N N 96 106.957 106.957 106.892 0.065 18389 11436 1 13 . 1 1 96 96 GLY C C 96 170.704 170.704 174.611 -3.907 18389 11437 1 13 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.366 -2.047 18389 11438 1 13 . 1 1 96 96 GLY H H 96 7.530 7.530 7.849 -0.319 18389 11439 1 13 . 1 1 97 97 VAL N N 97 119.393 119.393 120.863 -1.470 18389 11440 1 13 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.132 0.222 18389 11441 1 13 . 1 1 97 97 VAL C C 97 173.622 173.622 176.869 -3.247 18389 11442 1 13 . 1 1 97 97 VAL CA C 97 59.142 59.142 62.217 -3.075 18389 11443 1 13 . 1 1 97 97 VAL CB C 97 30.771 30.771 32.294 -1.523 18389 11444 1 13 . 1 1 97 97 VAL H H 97 7.650 7.650 7.328 0.322 18389 11445 1 13 . 1 1 98 98 GLY N N 98 115.075 115.075 108.656 6.419 18389 11446 1 13 . 1 1 98 98 GLY C C 98 170.065 170.065 174.044 -3.979 18389 11447 1 13 . 1 1 98 98 GLY CA C 98 42.739 42.739 46.533 -3.794 18389 11448 1 13 . 1 1 98 98 GLY H H 98 8.712 8.712 8.610 0.102 18389 11449 1 13 . 1 1 99 99 ASP N N 99 119.064 119.064 117.532 1.532 18389 11450 1 13 . 1 1 99 99 ASP HA H 99 4.675 4.675 5.021 -0.346 18389 11451 1 13 . 1 1 99 99 ASP C C 99 172.502 172.502 175.210 -2.708 18389 11452 1 13 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.075 -2.494 18389 11453 1 13 . 1 1 99 99 ASP CB C 99 39.195 39.195 44.144 -4.949 18389 11454 1 13 . 1 1 99 99 ASP H H 99 8.746 8.746 7.502 1.244 18389 11455 1 13 . 1 1 100 100 GLY N N 100 109.333 109.333 107.522 1.811 18389 11456 1 13 . 1 1 100 100 GLY C C 100 167.638 167.638 174.036 -6.398 18389 11457 1 13 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.349 -4.240 18389 11458 1 13 . 1 1 100 100 GLY H H 100 8.285 8.285 8.587 -0.302 18389 11459 1 13 . 1 1 101 101 GLU N N 101 120.835 120.835 120.561 0.274 18389 11460 1 13 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.400 0.327 18389 11461 1 13 . 1 1 101 101 GLU C C 101 173.652 173.652 175.425 -1.773 18389 11462 1 13 . 1 1 101 101 GLU CA C 101 55.449 55.449 56.795 -1.346 18389 11463 1 13 . 1 1 101 101 GLU CB C 101 31.014 31.014 31.140 -0.126 18389 11464 1 13 . 1 1 101 101 GLU H H 101 8.339 8.339 8.460 -0.121 18389 11465 1 13 . 1 1 102 102 HIS N N 102 126.597 126.597 121.435 5.162 18389 11466 1 13 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.187 0.219 18389 11467 1 13 . 1 1 102 102 HIS C C 102 174.479 174.479 173.132 1.347 18389 11468 1 13 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.723 -1.811 18389 11469 1 13 . 1 1 102 102 HIS CB C 102 33.756 33.756 32.493 1.263 18389 11470 1 13 . 1 1 102 102 HIS H H 102 10.029 10.029 9.207 0.822 18389 11471 1 13 . 1 1 103 103 TRP N N 103 125.616 125.616 126.636 -1.020 18389 11472 1 13 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.386 -0.355 18389 11473 1 13 . 1 1 103 103 TRP C C 103 173.236 173.236 174.902 -1.666 18389 11474 1 13 . 1 1 103 103 TRP CA C 103 54.833 54.833 55.944 -1.111 18389 11475 1 13 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.581 -3.391 18389 11476 1 13 . 1 1 103 103 TRP H H 103 9.242 9.242 9.126 0.116 18389 11477 1 13 . 1 1 104 104 VAL N N 104 114.086 114.086 118.297 -4.211 18389 11478 1 13 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.402 0.731 18389 11479 1 13 . 1 1 104 104 VAL C C 104 173.194 173.194 174.842 -1.648 18389 11480 1 13 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.472 -2.143 18389 11481 1 13 . 1 1 104 104 VAL CB C 104 35.443 35.443 34.979 0.464 18389 11482 1 13 . 1 1 104 104 VAL H H 104 10.273 10.273 9.272 1.001 18389 11483 1 13 . 1 1 105 105 TYR N N 105 123.278 123.278 125.953 -2.675 18389 11484 1 13 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.687 -0.027 18389 11485 1 13 . 1 1 105 105 TYR C C 105 172.030 172.030 176.423 -4.393 18389 11486 1 13 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.898 -1.176 18389 11487 1 13 . 1 1 105 105 TYR CB C 105 40.973 40.973 39.588 1.385 18389 11488 1 13 . 1 1 105 105 TYR H H 105 9.219 9.219 9.097 0.122 18389 11489 1 13 . 1 1 106 106 SER N N 106 123.619 123.619 114.947 8.672 18389 11490 1 13 . 1 1 106 106 SER HA H 106 5.226 5.226 4.716 0.510 18389 11491 1 13 . 1 1 106 106 SER C C 106 170.291 170.291 173.040 -2.749 18389 11492 1 13 . 1 1 106 106 SER CA C 106 56.800 56.800 57.881 -1.081 18389 11493 1 13 . 1 1 106 106 SER CB C 106 61.265 61.265 64.363 -3.098 18389 11494 1 13 . 1 1 106 106 SER H H 106 7.768 7.768 8.958 -1.190 18389 11495 1 13 . 1 1 107 107 ILE N N 107 120.192 120.192 125.149 -4.957 18389 11496 1 13 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.547 0.212 18389 11497 1 13 . 1 1 107 107 ILE C C 107 171.471 171.471 173.109 -1.638 18389 11498 1 13 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.689 -3.678 18389 11499 1 13 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.733 -1.974 18389 11500 1 13 . 1 1 107 107 ILE H H 107 8.942 8.942 8.518 0.424 18389 11501 1 13 . 1 1 108 108 THR N N 108 118.723 118.723 117.544 1.179 18389 11502 1 13 . 1 1 108 108 THR HA H 108 5.017 5.017 4.547 0.470 18389 11503 1 13 . 1 1 108 108 THR C C 108 170.359 170.359 172.146 -1.787 18389 11504 1 13 . 1 1 108 108 THR CA C 108 56.686 56.686 58.454 -1.768 18389 11505 1 13 . 1 1 108 108 THR CB C 108 67.488 67.488 69.971 -2.483 18389 11506 1 13 . 1 1 108 108 THR H H 108 8.718 8.718 8.096 0.622 18389 11507 1 13 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.790 -0.380 18389 11508 1 13 . 1 1 109 109 PRO C C 109 171.443 171.443 175.237 -3.794 18389 11509 1 13 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.612 -2.788 18389 11510 1 13 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.613 -3.635 18389 11511 1 13 . 1 1 110 110 ASP N N 110 122.785 122.785 117.847 4.938 18389 11512 1 13 . 1 1 110 110 ASP HA H 110 5.148 5.148 5.044 0.104 18389 11513 1 13 . 1 1 110 110 ASP C C 110 174.113 174.113 177.419 -3.306 18389 11514 1 13 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.108 -3.052 18389 11515 1 13 . 1 1 110 110 ASP CB C 110 40.689 40.689 44.453 -3.764 18389 11516 1 13 . 1 1 110 110 ASP H H 110 9.061 9.061 8.597 0.464 18389 11517 1 13 . 1 1 111 111 SER N N 111 112.595 112.595 113.913 -1.318 18389 11518 1 13 . 1 1 111 111 SER HA H 111 4.432 4.432 4.379 0.053 18389 11519 1 13 . 1 1 111 111 SER CA C 111 58.333 58.333 60.605 -2.272 18389 11520 1 13 . 1 1 111 111 SER CB C 111 61.046 61.046 63.611 -2.564 18389 11521 1 13 . 1 1 111 111 SER H H 111 8.435 8.435 8.643 -0.208 18389 11522 1 13 . 1 1 112 112 SER N N 112 116.615 116.615 114.798 1.817 18389 11523 1 13 . 1 1 112 112 SER HA H 112 4.862 4.862 4.506 0.356 18389 11524 1 13 . 1 1 112 112 SER C C 112 170.519 170.519 173.482 -2.963 18389 11525 1 13 . 1 1 112 112 SER CA C 112 54.017 54.017 57.119 -3.102 18389 11526 1 13 . 1 1 112 112 SER CB C 112 62.948 62.948 65.195 -2.247 18389 11527 1 13 . 1 1 112 112 SER H H 112 8.035 8.035 7.814 0.221 18389 11528 1 13 . 1 1 113 113 TRP N N 113 120.576 120.576 122.421 -1.845 18389 11529 1 13 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.647 -0.093 18389 11530 1 13 . 1 1 113 113 TRP C C 113 174.599 174.599 176.907 -2.308 18389 11531 1 13 . 1 1 113 113 TRP CA C 113 56.882 56.882 56.782 0.100 18389 11532 1 13 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.036 -1.676 18389 11533 1 13 . 1 1 113 113 TRP H H 113 8.318 8.318 8.553 -0.235 18389 11534 1 13 . 1 1 114 114 LYS N N 114 123.372 123.372 125.277 -1.905 18389 11535 1 13 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.796 0.098 18389 11536 1 13 . 1 1 114 114 LYS C C 114 172.772 172.772 175.775 -3.003 18389 11537 1 13 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.434 -1.486 18389 11538 1 13 . 1 1 114 114 LYS CB C 114 34.250 34.250 36.260 -2.010 18389 11539 1 13 . 1 1 114 114 LYS H H 114 8.782 8.782 8.093 0.689 18389 11540 1 13 . 1 1 115 115 THR N N 115 120.929 120.929 120.633 0.296 18389 11541 1 13 . 1 1 115 115 THR HA H 115 5.226 5.226 4.672 0.554 18389 11542 1 13 . 1 1 115 115 THR C C 115 171.778 171.778 174.632 -2.854 18389 11543 1 13 . 1 1 115 115 THR CA C 115 59.671 59.671 62.889 -3.217 18389 11544 1 13 . 1 1 115 115 THR CB C 115 66.938 66.938 68.129 -1.191 18389 11545 1 13 . 1 1 115 115 THR H H 115 8.689 8.689 8.689 0.000 18389 11546 1 13 . 1 1 116 116 ILE N N 116 131.929 131.929 128.717 3.212 18389 11547 1 13 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.056 0.128 18389 11548 1 13 . 1 1 116 116 ILE C C 116 171.012 171.012 175.092 -4.080 18389 11549 1 13 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.932 -4.575 18389 11550 1 13 . 1 1 116 116 ILE CB C 116 34.331 34.331 36.911 -2.580 18389 11551 1 13 . 1 1 116 116 ILE H H 116 9.470 9.470 8.789 0.681 18389 11552 1 13 . 1 1 117 117 GLU N N 117 124.514 124.514 128.235 -3.721 18389 11553 1 13 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.447 0.423 18389 11554 1 13 . 1 1 117 117 GLU C C 117 173.332 173.332 175.548 -2.216 18389 11555 1 13 . 1 1 117 117 GLU CA C 117 51.798 51.798 55.583 -3.785 18389 11556 1 13 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.318 0.375 18389 11557 1 13 . 1 1 117 117 GLU H H 117 8.089 8.089 8.213 -0.124 18389 11558 1 13 . 1 1 118 118 ILE N N 118 125.005 125.005 124.306 0.699 18389 11559 1 13 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.513 -0.090 18389 11560 1 13 . 1 1 118 118 ILE C C 118 171.765 171.765 174.455 -2.690 18389 11561 1 13 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.438 -2.798 18389 11562 1 13 . 1 1 118 118 ILE CB C 118 37.429 37.429 38.877 -1.448 18389 11563 1 13 . 1 1 118 118 ILE H H 118 9.322 9.322 7.568 1.754 18389 11564 1 13 . 1 1 119 119 PRO HA H 119 4.837 4.837 5.053 -0.216 18389 11565 1 13 . 1 1 119 119 PRO C C 119 176.780 176.780 178.472 -1.692 18389 11566 1 13 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.642 -2.238 18389 11567 1 13 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.579 -3.514 18389 11568 1 13 . 1 1 120 120 PHE N N 120 124.627 124.627 117.048 7.579 18389 11569 1 13 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.144 0.850 18389 11570 1 13 . 1 1 120 120 PHE C C 120 175.402 175.402 177.023 -1.621 18389 11571 1 13 . 1 1 120 120 PHE CA C 120 59.272 59.272 59.466 -0.194 18389 11572 1 13 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.415 -2.170 18389 11573 1 13 . 1 1 120 120 PHE H H 120 8.160 8.160 7.598 0.562 18389 11574 1 13 . 1 1 121 121 SER N N 121 110.551 110.551 116.790 -6.239 18389 11575 1 13 . 1 1 121 121 SER HA H 121 4.647 4.647 4.342 0.305 18389 11576 1 13 . 1 1 121 121 SER C C 121 173.187 173.187 175.814 -2.627 18389 11577 1 13 . 1 1 121 121 SER CA C 121 57.359 57.359 60.747 -3.388 18389 11578 1 13 . 1 1 121 121 SER CB C 121 60.639 60.639 62.583 -1.944 18389 11579 1 13 . 1 1 121 121 SER H H 121 8.367 8.367 8.201 0.166 18389 11580 1 13 . 1 1 122 122 SER N N 122 117.166 117.166 116.191 0.975 18389 11581 1 13 . 1 1 122 122 SER HA H 122 4.946 4.946 4.441 0.505 18389 11582 1 13 . 1 1 122 122 SER C C 122 172.296 172.296 173.269 -0.973 18389 11583 1 13 . 1 1 122 122 SER CA C 122 57.525 57.525 60.187 -2.662 18389 11584 1 13 . 1 1 122 122 SER CB C 122 61.716 61.716 63.722 -2.006 18389 11585 1 13 . 1 1 122 122 SER H H 122 8.537 8.537 7.882 0.655 18389 11586 1 13 . 1 1 123 123 PHE N N 123 119.840 119.840 114.837 5.003 18389 11587 1 13 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.756 -0.109 18389 11588 1 13 . 1 1 123 123 PHE C C 123 173.527 173.527 173.349 0.178 18389 11589 1 13 . 1 1 123 123 PHE CA C 123 58.778 58.778 56.345 2.433 18389 11590 1 13 . 1 1 123 123 PHE CB C 123 38.547 38.547 41.250 -2.703 18389 11591 1 13 . 1 1 123 123 PHE H H 123 7.807 7.807 7.309 0.498 18389 11592 1 13 . 1 1 124 124 ARG N N 124 120.098 120.098 119.882 0.216 18389 11593 1 13 . 1 1 124 124 ARG HA H 124 5.341 5.341 4.970 0.371 18389 11594 1 13 . 1 1 124 124 ARG C C 124 172.631 172.631 174.666 -2.035 18389 11595 1 13 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.829 -2.504 18389 11596 1 13 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.910 -3.189 18389 11597 1 13 . 1 1 124 124 ARG H H 124 9.297 9.297 9.139 0.158 18389 11598 1 13 . 1 1 125 125 ARG N N 125 126.739 126.739 122.251 4.488 18389 11599 1 13 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.689 -0.727 18389 11600 1 13 . 1 1 125 125 ARG C C 125 174.319 174.319 176.059 -1.740 18389 11601 1 13 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.814 -0.778 18389 11602 1 13 . 1 1 125 125 ARG CB C 125 27.348 27.348 29.938 -2.590 18389 11603 1 13 . 1 1 125 125 ARG H H 125 8.611 8.611 8.055 0.556 18389 11604 1 13 . 1 1 126 126 ARG N N 126 126.556 126.556 127.589 -1.033 18389 11605 1 13 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.162 -0.198 18389 11606 1 13 . 1 1 126 126 ARG C C 126 174.021 174.021 175.208 -1.187 18389 11607 1 13 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.786 -1.248 18389 11608 1 13 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.796 -1.057 18389 11609 1 13 . 1 1 126 126 ARG H H 126 7.917 7.917 8.275 -0.358 18389 11610 1 13 . 1 1 127 127 LEU N N 127 124.550 124.550 126.277 -1.727 18389 11611 1 13 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.384 0.270 18389 11612 1 13 . 1 1 127 127 LEU C C 127 175.775 175.775 177.782 -2.007 18389 11613 1 13 . 1 1 127 127 LEU CA C 127 53.208 53.208 56.829 -3.621 18389 11614 1 13 . 1 1 127 127 LEU CB C 127 41.378 41.378 41.567 -0.189 18389 11615 1 13 . 1 1 127 127 LEU H H 127 8.817 8.817 8.402 0.415 18389 11616 1 13 . 1 1 128 128 ASP N N 128 116.209 116.209 117.497 -1.288 18389 11617 1 13 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.528 0.021 18389 11618 1 13 . 1 1 128 128 ASP C C 128 172.491 172.491 175.664 -3.173 18389 11619 1 13 . 1 1 128 128 ASP CA C 128 52.492 52.492 54.929 -2.437 18389 11620 1 13 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.285 -4.703 18389 11621 1 13 . 1 1 128 128 ASP H H 128 9.072 9.072 8.230 0.842 18389 11622 1 13 . 1 1 129 129 TYR N N 129 119.329 119.329 119.513 -0.184 18389 11623 1 13 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.657 -0.304 18389 11624 1 13 . 1 1 129 129 TYR C C 129 169.992 169.992 173.350 -3.358 18389 11625 1 13 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.432 -1.087 18389 11626 1 13 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.098 -1.651 18389 11627 1 13 . 1 1 129 129 TYR H H 129 7.002 7.002 7.501 -0.499 18389 11628 1 13 . 1 1 130 130 GLN N N 130 121.469 121.469 123.455 -1.986 18389 11629 1 13 . 1 1 130 130 GLN HA H 130 3.909 3.909 3.985 -0.076 18389 11630 1 13 . 1 1 130 130 GLN C C 130 170.223 170.223 172.919 -2.696 18389 11631 1 13 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.164 -2.375 18389 11632 1 13 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.255 -1.630 18389 11633 1 13 . 1 1 130 130 GLN H H 130 6.288 6.288 7.958 -1.670 18389 11634 1 13 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.349 0.061 18389 11635 1 13 . 1 1 132 132 PRO C C 132 175.720 175.720 176.933 -1.213 18389 11636 1 13 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.212 -2.139 18389 11637 1 13 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.011 -2.896 18389 11638 1 13 . 1 1 133 133 GLY N N 133 104.558 104.558 108.574 -4.016 18389 11639 1 13 . 1 1 133 133 GLY C C 133 171.229 171.229 173.751 -2.522 18389 11640 1 13 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.677 -1.162 18389 11641 1 13 . 1 1 133 133 GLY H H 133 8.298 8.298 8.527 -0.229 18389 11642 1 13 . 1 1 134 134 GLN N N 134 116.684 116.684 119.370 -2.686 18389 11643 1 13 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.200 0.167 18389 11644 1 13 . 1 1 134 134 GLN C C 134 172.815 172.815 174.807 -1.992 18389 11645 1 13 . 1 1 134 134 GLN CA C 134 53.804 53.804 56.018 -2.214 18389 11646 1 13 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.173 -4.307 18389 11647 1 13 . 1 1 134 134 GLN H H 134 7.273 7.273 7.487 -0.214 18389 11648 1 13 . 1 1 135 135 ASP N N 135 118.688 118.688 119.888 -1.200 18389 11649 1 13 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.569 -0.207 18389 11650 1 13 . 1 1 135 135 ASP C C 135 174.301 174.301 176.764 -2.463 18389 11651 1 13 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.200 -2.390 18389 11652 1 13 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.696 -4.792 18389 11653 1 13 . 1 1 135 135 ASP H H 135 8.844 8.844 8.453 0.391 18389 11654 1 13 . 1 1 136 136 MET N N 136 114.721 114.721 117.222 -2.501 18389 11655 1 13 . 1 1 136 136 MET HA H 136 4.035 4.035 4.577 -0.542 18389 11656 1 13 . 1 1 136 136 MET C C 136 174.252 174.252 176.343 -2.091 18389 11657 1 13 . 1 1 136 136 MET CA C 136 54.461 54.461 56.365 -1.904 18389 11658 1 13 . 1 1 136 136 MET CB C 136 29.439 29.439 32.098 -2.659 18389 11659 1 13 . 1 1 136 136 MET H H 136 7.585 7.585 8.276 -0.691 18389 11660 1 13 . 1 1 137 137 SER N N 137 118.130 118.130 113.863 4.267 18389 11661 1 13 . 1 1 137 137 SER HA H 137 4.392 4.392 4.438 -0.046 18389 11662 1 13 . 1 1 137 137 SER C C 137 174.811 174.811 176.372 -1.561 18389 11663 1 13 . 1 1 137 137 SER CA C 137 57.841 57.841 58.647 -0.805 18389 11664 1 13 . 1 1 137 137 SER CB C 137 62.369 62.369 63.979 -1.610 18389 11665 1 13 . 1 1 137 137 SER H H 137 9.140 9.140 8.184 0.956 18389 11666 1 13 . 1 1 138 138 GLY N N 138 114.534 114.534 111.554 2.980 18389 11667 1 13 . 1 1 138 138 GLY C C 138 170.903 170.903 174.111 -3.208 18389 11668 1 13 . 1 1 138 138 GLY CA C 138 44.197 44.197 46.097 -1.900 18389 11669 1 13 . 1 1 138 138 GLY H H 138 10.549 10.549 8.435 2.114 18389 11670 1 13 . 1 1 139 139 THR N N 139 112.564 112.564 113.234 -0.670 18389 11671 1 13 . 1 1 139 139 THR HA H 139 4.538 4.538 4.558 -0.020 18389 11672 1 13 . 1 1 139 139 THR C C 139 168.086 168.086 172.551 -4.465 18389 11673 1 13 . 1 1 139 139 THR CA C 139 57.132 57.132 60.449 -3.317 18389 11674 1 13 . 1 1 139 139 THR CB C 139 68.854 68.854 72.278 -3.424 18389 11675 1 13 . 1 1 139 139 THR H H 139 8.504 8.504 7.594 0.910 18389 11676 1 13 . 1 1 140 140 LEU N N 140 129.971 129.971 125.818 4.153 18389 11677 1 13 . 1 1 140 140 LEU HA H 140 3.771 3.771 3.830 -0.059 18389 11678 1 13 . 1 1 140 140 LEU C C 140 172.175 172.175 175.184 -3.009 18389 11679 1 13 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.223 -1.888 18389 11680 1 13 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.523 -5.651 18389 11681 1 13 . 1 1 140 140 LEU H H 140 7.900 7.900 8.040 -0.140 18389 11682 1 13 . 1 1 141 141 ASP N N 141 132.200 132.200 129.535 2.665 18389 11683 1 13 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.603 0.101 18389 11684 1 13 . 1 1 141 141 ASP C C 141 172.137 172.137 176.168 -4.031 18389 11685 1 13 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.872 -2.180 18389 11686 1 13 . 1 1 141 141 ASP CB C 141 38.561 38.561 40.398 -1.837 18389 11687 1 13 . 1 1 141 141 ASP H H 141 9.101 9.101 8.613 0.488 18389 11688 1 13 . 1 1 142 142 LEU N N 142 122.667 122.667 122.097 0.570 18389 11689 1 13 . 1 1 142 142 LEU HA H 142 3.740 3.740 4.007 -0.267 18389 11690 1 13 . 1 1 142 142 LEU CA C 142 53.747 53.747 57.537 -3.790 18389 11691 1 13 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.411 -1.513 18389 11692 1 13 . 1 1 142 142 LEU H H 142 7.799 7.799 7.783 0.016 18389 11693 1 13 . 1 1 143 143 ASP N N 143 112.789 112.789 114.367 -1.578 18389 11694 1 13 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.359 0.557 18389 11695 1 13 . 1 1 143 143 ASP C C 143 173.547 173.547 176.399 -2.852 18389 11696 1 13 . 1 1 143 143 ASP CA C 143 51.101 51.101 54.748 -3.647 18389 11697 1 13 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.428 -3.131 18389 11698 1 13 . 1 1 143 143 ASP H H 143 8.473 8.473 8.165 0.308 18389 11699 1 13 . 1 1 144 144 ASN N N 144 120.743 120.743 117.032 3.711 18389 11700 1 13 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.862 0.217 18389 11701 1 13 . 1 1 144 144 ASN C C 144 171.278 171.278 173.287 -2.009 18389 11702 1 13 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.434 -2.960 18389 11703 1 13 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.019 -1.839 18389 11704 1 13 . 1 1 144 144 ASN H H 144 7.867 7.867 7.763 0.104 18389 11705 1 13 . 1 1 145 145 ILE N N 145 122.844 122.844 119.797 3.047 18389 11706 1 13 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.262 -0.422 18389 11707 1 13 . 1 1 145 145 ILE C C 145 172.420 172.420 175.089 -2.669 18389 11708 1 13 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.489 -1.627 18389 11709 1 13 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.689 -4.282 18389 11710 1 13 . 1 1 145 145 ILE H H 145 8.770 8.770 7.955 0.815 18389 11711 1 13 . 1 1 146 146 ASP N N 146 125.428 125.428 126.685 -1.257 18389 11712 1 13 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.557 0.096 18389 11713 1 13 . 1 1 146 146 ASP C C 146 172.931 172.931 176.049 -3.118 18389 11714 1 13 . 1 1 146 146 ASP CA C 146 53.352 53.352 56.493 -3.141 18389 11715 1 13 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.164 0.748 18389 11716 1 13 . 1 1 146 146 ASP H H 146 9.355 9.355 8.915 0.440 18389 11717 1 13 . 1 1 147 147 SER N N 147 108.442 108.442 110.295 -1.853 18389 11718 1 13 . 1 1 147 147 SER HA H 147 5.054 5.054 4.826 0.228 18389 11719 1 13 . 1 1 147 147 SER C C 147 169.957 169.957 172.570 -2.613 18389 11720 1 13 . 1 1 147 147 SER CA C 147 54.584 54.584 57.645 -3.061 18389 11721 1 13 . 1 1 147 147 SER CB C 147 62.518 62.518 65.868 -3.350 18389 11722 1 13 . 1 1 147 147 SER H H 147 7.927 7.927 7.694 0.233 18389 11723 1 13 . 1 1 148 148 ILE N N 148 110.150 110.150 114.703 -4.553 18389 11724 1 13 . 1 1 148 148 ILE HA H 148 5.649 5.649 4.986 0.663 18389 11725 1 13 . 1 1 148 148 ILE C C 148 171.932 171.932 173.783 -1.851 18389 11726 1 13 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.734 -3.112 18389 11727 1 13 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.866 -3.153 18389 11728 1 13 . 1 1 148 148 ILE H H 148 8.043 8.043 7.971 0.072 18389 11729 1 13 . 1 1 149 149 HIS N N 149 118.612 118.612 120.297 -1.685 18389 11730 1 13 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.241 1.249 18389 11731 1 13 . 1 1 149 149 HIS C C 149 174.287 174.287 173.640 0.647 18389 11732 1 13 . 1 1 149 149 HIS CA C 149 51.902 51.902 55.132 -3.230 18389 11733 1 13 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.079 -1.120 18389 11734 1 13 . 1 1 149 149 HIS H H 149 9.331 9.331 8.516 0.815 18389 11735 1 13 . 1 1 150 150 PHE N N 150 117.037 117.037 121.916 -4.879 18389 11736 1 13 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.774 0.756 18389 11737 1 13 . 1 1 150 150 PHE C C 150 172.808 172.808 173.613 -0.805 18389 11738 1 13 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.638 -1.135 18389 11739 1 13 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.027 -1.747 18389 11740 1 13 . 1 1 150 150 PHE H H 150 8.788 8.788 8.084 0.704 18389 11741 1 13 . 1 1 151 151 MET N N 151 119.781 119.781 123.258 -3.477 18389 11742 1 13 . 1 1 151 151 MET HA H 151 4.664 4.664 4.214 0.450 18389 11743 1 13 . 1 1 151 151 MET C C 151 170.282 170.282 173.393 -3.111 18389 11744 1 13 . 1 1 151 151 MET CA C 151 52.146 52.146 54.022 -1.876 18389 11745 1 13 . 1 1 151 151 MET CB C 151 34.947 34.947 37.622 -2.675 18389 11746 1 13 . 1 1 151 151 MET H H 151 9.761 9.761 8.330 1.431 18389 11747 1 13 . 1 1 152 152 TYR N N 152 117.149 117.149 120.068 -2.919 18389 11748 1 13 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.726 -0.650 18389 11749 1 13 . 1 1 152 152 TYR C C 152 171.554 171.554 174.571 -3.017 18389 11750 1 13 . 1 1 152 152 TYR CA C 152 55.345 55.345 57.734 -2.389 18389 11751 1 13 . 1 1 152 152 TYR CB C 152 36.904 36.904 39.573 -2.669 18389 11752 1 13 . 1 1 152 152 TYR H H 152 6.275 6.275 8.333 -2.058 18389 11753 1 13 . 1 1 153 153 ALA N N 153 121.523 121.523 124.981 -3.458 18389 11754 1 13 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.505 -0.342 18389 11755 1 13 . 1 1 153 153 ALA C C 153 173.777 173.777 175.734 -1.957 18389 11756 1 13 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.067 -2.882 18389 11757 1 13 . 1 1 153 153 ALA CB C 153 19.965 19.965 20.698 -0.733 18389 11758 1 13 . 1 1 153 153 ALA H H 153 10.019 10.019 8.347 1.672 18389 11759 1 13 . 1 1 154 154 ASN N N 154 114.643 114.643 116.832 -2.189 18389 11760 1 13 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.902 0.282 18389 11761 1 13 . 1 1 154 154 ASN C C 154 173.267 173.267 174.622 -1.355 18389 11762 1 13 . 1 1 154 154 ASN CA C 154 49.915 49.915 53.010 -3.095 18389 11763 1 13 . 1 1 154 154 ASN CB C 154 36.713 36.713 41.786 -5.073 18389 11764 1 13 . 1 1 154 154 ASN H H 154 8.141 8.141 8.374 -0.233 18389 11765 1 13 . 1 1 156 156 LYS N N 156 119.099 119.099 120.949 -1.850 18389 11766 1 13 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.111 0.627 18389 11767 1 13 . 1 1 156 156 LYS C C 156 173.965 173.965 175.422 -1.457 18389 11768 1 13 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.758 -2.886 18389 11769 1 13 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.108 -2.682 18389 11770 1 13 . 1 1 156 156 LYS H H 156 8.298 8.298 7.926 0.372 18389 11771 1 13 . 1 1 157 157 SER N N 157 115.584 115.584 113.883 1.701 18389 11772 1 13 . 1 1 157 157 SER HA H 157 5.055 5.055 3.894 1.161 18389 11773 1 13 . 1 1 157 157 SER C C 157 169.925 169.925 174.205 -4.280 18389 11774 1 13 . 1 1 157 157 SER CA C 157 55.617 55.617 58.174 -2.557 18389 11775 1 13 . 1 1 157 157 SER CB C 157 63.180 63.180 63.482 -0.302 18389 11776 1 13 . 1 1 157 157 SER H H 157 8.240 8.240 8.174 0.066 18389 11777 1 13 . 1 1 158 158 GLY N N 158 108.219 108.219 109.423 -1.204 18389 11778 1 13 . 1 1 158 158 GLY C C 158 168.322 168.322 171.523 -3.201 18389 11779 1 13 . 1 1 158 158 GLY CA C 158 43.565 43.565 44.650 -1.085 18389 11780 1 13 . 1 1 158 158 GLY H H 158 6.942 6.942 7.724 -0.782 18389 11781 1 13 . 1 1 159 159 LYS N N 159 116.608 116.608 119.067 -2.459 18389 11782 1 13 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.371 0.150 18389 11783 1 13 . 1 1 159 159 LYS C C 159 172.966 172.966 174.821 -1.855 18389 11784 1 13 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.799 -1.658 18389 11785 1 13 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.510 -1.805 18389 11786 1 13 . 1 1 159 159 LYS H H 159 7.925 7.925 8.027 -0.102 18389 11787 1 13 . 1 1 160 160 PHE N N 160 121.804 121.804 120.585 1.219 18389 11788 1 13 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.606 -0.081 18389 11789 1 13 . 1 1 160 160 PHE C C 160 168.125 168.125 173.996 -5.871 18389 11790 1 13 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.489 -3.174 18389 11791 1 13 . 1 1 160 160 PHE CB C 160 39.051 39.051 44.037 -4.986 18389 11792 1 13 . 1 1 160 160 PHE H H 160 8.834 8.834 9.239 -0.405 18389 11793 1 13 . 1 1 161 161 VAL N N 161 119.787 119.787 118.947 0.840 18389 11794 1 13 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.226 0.152 18389 11795 1 13 . 1 1 161 161 VAL C C 161 170.736 170.736 173.997 -3.261 18389 11796 1 13 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.435 -3.779 18389 11797 1 13 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.780 -3.843 18389 11798 1 13 . 1 1 161 161 VAL H H 161 9.277 9.277 8.973 0.304 18389 11799 1 13 . 1 1 162 162 VAL N N 162 121.357 121.357 121.212 0.145 18389 11800 1 13 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.348 0.619 18389 11801 1 13 . 1 1 162 162 VAL C C 162 170.928 170.928 173.286 -2.358 18389 11802 1 13 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.348 -3.662 18389 11803 1 13 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.947 -2.105 18389 11804 1 13 . 1 1 162 162 VAL H H 162 8.453 8.453 9.052 -0.599 18389 11805 1 13 . 1 1 163 163 ASP N N 163 119.088 119.088 120.381 -1.293 18389 11806 1 13 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.254 0.325 18389 11807 1 13 . 1 1 163 163 ASP C C 163 172.563 172.563 174.962 -2.399 18389 11808 1 13 . 1 1 163 163 ASP CA C 163 49.482 49.482 51.701 -2.219 18389 11809 1 13 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.889 -2.425 18389 11810 1 13 . 1 1 163 163 ASP H H 163 9.233 9.233 7.701 1.532 18389 11811 1 13 . 1 1 164 164 ASN N N 164 117.316 117.316 116.352 0.964 18389 11812 1 13 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.418 0.231 18389 11813 1 13 . 1 1 164 164 ASN C C 164 170.940 170.940 174.293 -3.353 18389 11814 1 13 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.297 -1.625 18389 11815 1 13 . 1 1 164 164 ASN CB C 164 35.395 35.395 36.878 -1.483 18389 11816 1 13 . 1 1 164 164 ASN H H 164 9.864 9.864 8.993 0.871 18389 11817 1 13 . 1 1 165 165 ILE N N 165 118.660 118.660 120.264 -1.604 18389 11818 1 13 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.418 1.021 18389 11819 1 13 . 1 1 165 165 ILE C C 165 173.336 173.336 175.185 -1.849 18389 11820 1 13 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.281 -3.126 18389 11821 1 13 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.356 -2.170 18389 11822 1 13 . 1 1 165 165 ILE H H 165 8.716 8.716 8.389 0.327 18389 11823 1 13 . 1 1 166 166 LYS N N 166 127.896 127.896 125.408 2.488 18389 11824 1 13 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.003 0.175 18389 11825 1 13 . 1 1 166 166 LYS C C 166 170.453 170.453 174.403 -3.950 18389 11826 1 13 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.932 -1.408 18389 11827 1 13 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.844 -1.598 18389 11828 1 13 . 1 1 166 166 LYS H H 166 9.921 9.921 8.946 0.975 18389 11829 1 13 . 1 1 167 167 LEU N N 167 120.747 120.747 120.124 0.623 18389 11830 1 13 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.333 0.503 18389 11831 1 13 . 1 1 167 167 LEU C C 167 173.703 173.703 175.786 -2.083 18389 11832 1 13 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.651 -3.072 18389 11833 1 13 . 1 1 167 167 LEU CB C 167 40.711 40.711 43.515 -2.804 18389 11834 1 13 . 1 1 167 167 LEU H H 167 8.552 8.552 8.698 -0.146 18389 11835 1 13 . 1 1 168 168 ILE N N 168 116.914 116.914 121.089 -4.175 18389 11836 1 13 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.792 0.197 18389 11837 1 13 . 1 1 168 168 ILE C C 168 173.923 173.923 176.400 -2.477 18389 11838 1 13 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.365 -0.990 18389 11839 1 13 . 1 1 168 168 ILE CB C 168 38.938 38.938 38.405 0.533 18389 11840 1 13 . 1 1 168 168 ILE H H 168 8.523 8.523 8.822 -0.299 18389 11841 1 13 . 1 1 169 169 GLY N N 169 114.527 114.527 114.255 0.272 18389 11842 1 13 . 1 1 169 169 GLY C C 169 169.252 169.252 173.181 -3.929 18389 11843 1 13 . 1 1 169 169 GLY CA C 169 42.925 42.925 43.779 -0.854 18389 11844 1 13 . 1 1 169 169 GLY H H 169 8.942 8.942 8.916 0.026 18389 11845 1 13 . 1 1 170 170 ALA N N 170 123.678 123.678 120.602 3.076 18389 11846 1 13 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.235 0.189 18389 11847 1 13 . 1 1 170 170 ALA C C 170 174.985 174.985 176.946 -1.961 18389 11848 1 13 . 1 1 170 170 ALA CA C 170 49.344 49.344 52.479 -3.135 18389 11849 1 13 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.331 -2.244 18389 11850 1 13 . 1 1 170 170 ALA H H 170 8.321 8.321 8.336 -0.015 18389 11851 1 13 . 1 1 171 171 LEU N N 171 122.139 122.139 122.379 -0.240 18389 11852 1 13 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.683 -0.278 18389 11853 1 13 . 1 1 171 171 LEU C C 171 174.478 174.478 175.332 -0.854 18389 11854 1 13 . 1 1 171 171 LEU CA C 171 52.634 52.634 55.075 -2.441 18389 11855 1 13 . 1 1 171 171 LEU CB C 171 40.111 40.111 42.794 -2.683 18389 11856 1 13 . 1 1 171 171 LEU H H 171 8.182 8.182 8.396 -0.214 18389 11857 1 14 . 1 1 2 2 ALA N N 2 119.048 119.048 125.705 -6.657 18389 11858 1 14 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.835 -0.551 18389 11859 1 14 . 1 1 2 2 ALA C C 2 174.144 174.144 175.728 -1.584 18389 11860 1 14 . 1 1 2 2 ALA CA C 2 48.383 48.383 52.328 -3.945 18389 11861 1 14 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.813 -0.984 18389 11862 1 14 . 1 1 2 2 ALA H H 2 9.577 9.577 8.421 1.156 18389 11863 1 14 . 1 1 3 3 SER N N 3 114.278 114.278 116.232 -1.954 18389 11864 1 14 . 1 1 3 3 SER C C 3 173.040 173.040 173.448 -0.408 18389 11865 1 14 . 1 1 3 3 SER H H 3 8.152 8.152 8.589 -0.437 18389 11866 1 14 . 1 1 6 6 GLY N N 6 112.362 112.362 114.358 -1.996 18389 11867 1 14 . 1 1 6 6 GLY C C 6 170.686 170.686 173.535 -2.849 18389 11868 1 14 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.775 -2.462 18389 11869 1 14 . 1 1 6 6 GLY H H 6 8.750 8.750 8.995 -0.245 18389 11870 1 14 . 1 1 7 7 GLU N N 7 117.722 117.722 120.115 -2.393 18389 11871 1 14 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.898 0.531 18389 11872 1 14 . 1 1 7 7 GLU C C 7 172.744 172.744 173.643 -0.899 18389 11873 1 14 . 1 1 7 7 GLU CA C 7 52.248 52.248 55.212 -2.963 18389 11874 1 14 . 1 1 7 7 GLU CB C 7 31.170 31.170 32.635 -1.465 18389 11875 1 14 . 1 1 7 7 GLU H H 7 8.078 8.078 7.959 0.119 18389 11876 1 14 . 1 1 8 8 LYS N N 8 122.832 122.832 127.351 -4.519 18389 11877 1 14 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.612 -0.073 18389 11878 1 14 . 1 1 8 8 LYS C C 8 171.963 171.963 174.235 -2.272 18389 11879 1 14 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.843 -2.278 18389 11880 1 14 . 1 1 8 8 LYS CB C 8 33.185 33.185 36.006 -2.821 18389 11881 1 14 . 1 1 8 8 LYS H H 8 8.434 8.434 8.558 -0.124 18389 11882 1 14 . 1 1 9 9 MET N N 9 128.562 128.562 124.910 3.652 18389 11883 1 14 . 1 1 9 9 MET HA H 9 4.536 4.536 4.737 -0.201 18389 11884 1 14 . 1 1 9 9 MET C C 9 172.911 172.911 175.573 -2.662 18389 11885 1 14 . 1 1 9 9 MET CA C 9 53.012 53.012 56.273 -3.261 18389 11886 1 14 . 1 1 9 9 MET CB C 9 28.376 28.376 33.769 -5.393 18389 11887 1 14 . 1 1 9 9 MET H H 9 8.984 8.984 8.841 0.143 18389 11888 1 14 . 1 1 10 10 LEU N N 10 129.881 129.881 121.950 7.931 18389 11889 1 14 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.673 -0.009 18389 11890 1 14 . 1 1 10 10 LEU C C 10 174.887 174.887 177.141 -2.254 18389 11891 1 14 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.374 -2.161 18389 11892 1 14 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.703 -3.304 18389 11893 1 14 . 1 1 10 10 LEU H H 10 9.751 9.751 8.824 0.927 18389 11894 1 14 . 1 1 11 11 ASP N N 11 115.516 115.516 119.828 -4.312 18389 11895 1 14 . 1 1 11 11 ASP HA H 11 4.723 4.723 5.050 -0.327 18389 11896 1 14 . 1 1 11 11 ASP C C 11 170.836 170.836 175.038 -4.202 18389 11897 1 14 . 1 1 11 11 ASP CA C 11 53.583 53.583 54.270 -0.687 18389 11898 1 14 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.658 -3.439 18389 11899 1 14 . 1 1 11 11 ASP H H 11 8.110 8.110 7.746 0.364 18389 11900 1 14 . 1 1 12 12 ASP N N 12 124.144 124.144 123.112 1.032 18389 11901 1 14 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.863 -0.012 18389 11902 1 14 . 1 1 12 12 ASP C C 12 175.055 175.055 176.994 -1.939 18389 11903 1 14 . 1 1 12 12 ASP CA C 12 50.310 50.310 54.969 -4.659 18389 11904 1 14 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.528 -3.333 18389 11905 1 14 . 1 1 12 12 ASP H H 12 8.053 8.053 8.940 -0.887 18389 11906 1 14 . 1 1 13 13 PHE N N 13 117.584 117.584 114.475 3.109 18389 11907 1 14 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.335 -0.063 18389 11908 1 14 . 1 1 13 13 PHE C C 13 171.960 171.960 175.307 -3.347 18389 11909 1 14 . 1 1 13 13 PHE CA C 13 58.913 58.913 58.891 0.022 18389 11910 1 14 . 1 1 13 13 PHE CB C 13 32.175 32.175 37.384 -5.209 18389 11911 1 14 . 1 1 13 13 PHE H H 13 9.327 9.327 8.555 0.772 18389 11912 1 14 . 1 1 14 14 GLU N N 14 113.122 113.122 119.103 -5.981 18389 11913 1 14 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.264 0.785 18389 11914 1 14 . 1 1 14 14 GLU C C 14 175.300 175.300 177.156 -1.856 18389 11915 1 14 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.098 -5.117 18389 11916 1 14 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.462 -4.468 18389 11917 1 14 . 1 1 14 14 GLU H H 14 8.165 8.165 8.343 -0.178 18389 11918 1 14 . 1 1 15 15 GLY N N 15 110.108 110.108 108.867 1.241 18389 11919 1 14 . 1 1 15 15 GLY C C 15 171.609 171.609 174.198 -2.589 18389 11920 1 14 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.917 -3.063 18389 11921 1 14 . 1 1 15 15 GLY H H 15 8.117 8.117 7.870 0.247 18389 11922 1 14 . 1 1 16 16 VAL N N 16 121.792 121.792 120.382 1.410 18389 11923 1 14 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.056 0.215 18389 11924 1 14 . 1 1 16 16 VAL C C 16 173.203 173.203 175.462 -2.259 18389 11925 1 14 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.071 -2.788 18389 11926 1 14 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.760 -2.559 18389 11927 1 14 . 1 1 16 16 VAL H H 16 8.190 8.190 7.973 0.217 18389 11928 1 14 . 1 1 17 17 LEU N N 17 124.682 124.682 125.009 -0.327 18389 11929 1 14 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.376 0.522 18389 11930 1 14 . 1 1 17 17 LEU C C 17 174.685 174.685 177.086 -2.401 18389 11931 1 14 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.504 -2.706 18389 11932 1 14 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.175 -3.039 18389 11933 1 14 . 1 1 17 17 LEU H H 17 8.500 8.500 8.465 0.035 18389 11934 1 14 . 1 1 18 18 ASN N N 18 127.589 127.589 124.164 3.425 18389 11935 1 14 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.329 0.818 18389 11936 1 14 . 1 1 18 18 ASN C C 18 171.583 171.583 173.572 -1.989 18389 11937 1 14 . 1 1 18 18 ASN CA C 18 50.977 50.977 51.931 -0.954 18389 11938 1 14 . 1 1 18 18 ASN CB C 18 37.143 37.143 36.802 0.341 18389 11939 1 14 . 1 1 18 18 ASN H H 18 9.956 9.956 8.291 1.665 18389 11940 1 14 . 1 1 19 19 TRP N N 19 119.913 119.913 118.381 1.532 18389 11941 1 14 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.827 0.231 18389 11942 1 14 . 1 1 19 19 TRP C C 19 174.918 174.918 176.995 -2.077 18389 11943 1 14 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.879 -0.503 18389 11944 1 14 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.746 -4.346 18389 11945 1 14 . 1 1 19 19 TRP H H 19 7.057 7.057 7.194 -0.137 18389 11946 1 14 . 1 1 20 20 GLY N N 20 112.934 112.934 109.239 3.695 18389 11947 1 14 . 1 1 20 20 GLY C C 20 171.436 171.436 173.103 -1.667 18389 11948 1 14 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.539 -4.599 18389 11949 1 14 . 1 1 20 20 GLY H H 20 9.622 9.622 8.984 0.638 18389 11950 1 14 . 1 1 21 21 SER N N 21 114.752 114.752 116.937 -2.185 18389 11951 1 14 . 1 1 21 21 SER HA H 21 5.686 5.686 5.314 0.372 18389 11952 1 14 . 1 1 21 21 SER C C 21 170.314 170.314 173.401 -3.087 18389 11953 1 14 . 1 1 21 21 SER CA C 21 55.911 55.911 57.454 -1.543 18389 11954 1 14 . 1 1 21 21 SER CB C 21 64.070 64.070 66.103 -2.033 18389 11955 1 14 . 1 1 21 21 SER H H 21 8.899 8.899 8.612 0.287 18389 11956 1 14 . 1 1 22 22 TYR N N 22 118.001 118.001 121.490 -3.489 18389 11957 1 14 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.959 0.341 18389 11958 1 14 . 1 1 22 22 TYR C C 22 170.760 170.760 172.729 -1.969 18389 11959 1 14 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.361 -3.711 18389 11960 1 14 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.064 -2.240 18389 11961 1 14 . 1 1 22 22 TYR H H 22 8.807 8.807 8.693 0.114 18389 11962 1 14 . 1 1 23 23 SER N N 23 109.826 109.826 114.636 -4.810 18389 11963 1 14 . 1 1 23 23 SER HA H 23 4.912 4.912 4.953 -0.041 18389 11964 1 14 . 1 1 23 23 SER C C 23 169.918 169.918 172.976 -3.058 18389 11965 1 14 . 1 1 23 23 SER CA C 23 55.664 55.664 57.556 -1.892 18389 11966 1 14 . 1 1 23 23 SER CB C 23 62.361 62.361 67.087 -4.726 18389 11967 1 14 . 1 1 23 23 SER H H 23 8.435 8.435 8.440 -0.005 18389 11968 1 14 . 1 1 24 24 GLY N N 24 103.788 103.788 106.633 -2.845 18389 11969 1 14 . 1 1 24 24 GLY C C 24 170.240 170.240 173.306 -3.066 18389 11970 1 14 . 1 1 24 24 GLY CA C 24 42.767 42.767 44.598 -1.831 18389 11971 1 14 . 1 1 24 24 GLY H H 24 7.339 7.339 8.325 -0.986 18389 11972 1 14 . 1 1 25 25 GLU N N 25 116.420 116.420 121.211 -4.791 18389 11973 1 14 . 1 1 25 25 GLU HA H 25 4.109 4.109 3.809 0.300 18389 11974 1 14 . 1 1 25 25 GLU C C 25 173.683 173.683 176.539 -2.856 18389 11975 1 14 . 1 1 25 25 GLU CA C 25 53.687 53.687 57.397 -3.710 18389 11976 1 14 . 1 1 25 25 GLU CB C 25 25.146 25.146 28.257 -3.111 18389 11977 1 14 . 1 1 25 25 GLU H H 25 8.962 8.962 9.085 -0.123 18389 11978 1 14 . 1 1 26 26 GLY N N 26 106.660 106.660 101.881 4.779 18389 11979 1 14 . 1 1 26 26 GLY C C 26 171.638 171.638 173.317 -1.679 18389 11980 1 14 . 1 1 26 26 GLY CA C 26 43.173 43.173 44.454 -1.281 18389 11981 1 14 . 1 1 26 26 GLY H H 26 8.483 8.483 8.504 -0.021 18389 11982 1 14 . 1 1 27 27 ALA N N 27 123.407 123.407 122.412 0.995 18389 11983 1 14 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.532 0.115 18389 11984 1 14 . 1 1 27 27 ALA C C 27 174.232 174.232 175.674 -1.442 18389 11985 1 14 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.641 -2.078 18389 11986 1 14 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.962 -3.424 18389 11987 1 14 . 1 1 27 27 ALA H H 27 7.182 7.182 7.457 -0.275 18389 11988 1 14 . 1 1 28 28 LYS N N 28 117.590 117.590 118.857 -1.267 18389 11989 1 14 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.625 0.267 18389 11990 1 14 . 1 1 28 28 LYS C C 28 171.365 171.365 174.632 -3.267 18389 11991 1 14 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.852 -3.433 18389 11992 1 14 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.310 -1.766 18389 11993 1 14 . 1 1 28 28 LYS H H 28 8.650 8.650 8.484 0.166 18389 11994 1 14 . 1 1 29 29 VAL N N 29 118.148 118.148 120.960 -2.812 18389 11995 1 14 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.724 0.517 18389 11996 1 14 . 1 1 29 29 VAL C C 29 169.809 169.809 174.874 -5.065 18389 11997 1 14 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.459 -3.376 18389 11998 1 14 . 1 1 29 29 VAL CB C 29 31.475 31.475 33.575 -2.100 18389 11999 1 14 . 1 1 29 29 VAL H H 29 8.327 8.327 8.472 -0.145 18389 12000 1 14 . 1 1 30 30 SER N N 30 120.964 120.964 122.357 -1.393 18389 12001 1 14 . 1 1 30 30 SER HA H 30 4.993 4.993 4.914 0.079 18389 12002 1 14 . 1 1 30 30 SER C C 30 170.354 170.354 173.185 -2.831 18389 12003 1 14 . 1 1 30 30 SER CA C 30 54.438 54.438 58.032 -3.594 18389 12004 1 14 . 1 1 30 30 SER CB C 30 63.262 63.262 66.115 -2.853 18389 12005 1 14 . 1 1 30 30 SER H H 30 8.797 8.797 8.543 0.254 18389 12006 1 14 . 1 1 31 31 THR N N 31 112.970 112.970 116.063 -3.093 18389 12007 1 14 . 1 1 31 31 THR HA H 31 5.618 5.618 5.289 0.329 18389 12008 1 14 . 1 1 31 31 THR C C 31 171.857 171.857 173.865 -2.008 18389 12009 1 14 . 1 1 31 31 THR CA C 31 56.212 56.212 60.427 -4.215 18389 12010 1 14 . 1 1 31 31 THR CB C 31 69.719 69.719 71.406 -1.687 18389 12011 1 14 . 1 1 31 31 THR H H 31 8.384 8.384 8.443 -0.059 18389 12012 1 14 . 1 1 32 32 LYS N N 32 119.710 119.710 123.903 -4.193 18389 12013 1 14 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.837 -0.111 18389 12014 1 14 . 1 1 32 32 LYS C C 32 171.734 171.734 175.229 -3.495 18389 12015 1 14 . 1 1 32 32 LYS CA C 32 52.973 52.973 53.547 -0.574 18389 12016 1 14 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.044 -1.950 18389 12017 1 14 . 1 1 32 32 LYS H H 32 8.530 8.530 9.138 -0.608 18389 12018 1 14 . 1 1 33 33 ILE N N 33 124.276 124.276 120.771 3.505 18389 12019 1 14 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.905 0.069 18389 12020 1 14 . 1 1 33 33 ILE C C 33 173.578 173.578 176.298 -2.720 18389 12021 1 14 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.285 -2.846 18389 12022 1 14 . 1 1 33 33 ILE CB C 33 33.463 33.463 39.661 -6.198 18389 12023 1 14 . 1 1 33 33 ILE H H 33 8.669 8.669 8.407 0.262 18389 12024 1 14 . 1 1 34 34 VAL N N 34 121.698 121.698 121.636 0.062 18389 12025 1 14 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.732 0.135 18389 12026 1 14 . 1 1 34 34 VAL C C 34 172.702 172.702 174.488 -1.786 18389 12027 1 14 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.952 -3.293 18389 12028 1 14 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.799 -0.890 18389 12029 1 14 . 1 1 34 34 VAL H H 34 8.463 8.463 9.047 -0.584 18389 12030 1 14 . 1 1 35 35 SER N N 35 115.704 115.704 114.997 0.707 18389 12031 1 14 . 1 1 35 35 SER HA H 35 4.590 4.590 4.823 -0.233 18389 12032 1 14 . 1 1 35 35 SER CA C 35 58.345 58.345 57.219 1.126 18389 12033 1 14 . 1 1 35 35 SER CB C 35 60.619 60.619 64.343 -3.724 18389 12034 1 14 . 1 1 35 35 SER H H 35 8.271 8.271 8.418 -0.147 18389 12035 1 14 . 1 1 36 36 GLY N N 36 113.970 113.970 110.552 3.418 18389 12036 1 14 . 1 1 36 36 GLY C C 36 170.257 170.257 173.021 -2.764 18389 12037 1 14 . 1 1 36 36 GLY CA C 36 40.698 40.698 45.105 -4.407 18389 12038 1 14 . 1 1 36 36 GLY H H 36 9.267 9.267 8.264 1.003 18389 12039 1 14 . 1 1 37 37 LYS N N 37 129.227 129.227 118.748 10.479 18389 12040 1 14 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.825 -0.470 18389 12041 1 14 . 1 1 37 37 LYS C C 37 174.912 174.912 176.647 -1.735 18389 12042 1 14 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.526 -1.970 18389 12043 1 14 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.556 -3.147 18389 12044 1 14 . 1 1 37 37 LYS H H 37 8.484 8.484 8.128 0.356 18389 12045 1 14 . 1 1 38 38 THR N N 38 109.924 109.924 112.890 -2.966 18389 12046 1 14 . 1 1 38 38 THR HA H 38 4.398 4.398 4.378 0.020 18389 12047 1 14 . 1 1 38 38 THR C C 38 171.818 171.818 174.713 -2.895 18389 12048 1 14 . 1 1 38 38 THR CA C 38 57.223 57.223 60.369 -3.146 18389 12049 1 14 . 1 1 38 38 THR CB C 38 67.805 67.805 69.285 -1.480 18389 12050 1 14 . 1 1 38 38 THR H H 38 7.549 7.549 7.408 0.141 18389 12051 1 14 . 1 1 40 40 ASN N N 40 129.674 129.674 122.910 6.764 18389 12052 1 14 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.809 0.714 18389 12053 1 14 . 1 1 40 40 ASN C C 40 173.717 173.717 175.360 -1.643 18389 12054 1 14 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.720 -2.398 18389 12055 1 14 . 1 1 40 40 ASN CB C 40 38.188 38.188 39.452 -1.264 18389 12056 1 14 . 1 1 40 40 ASN H H 40 10.958 10.958 8.906 2.052 18389 12057 1 14 . 1 1 41 41 GLY N N 41 111.261 111.261 104.531 6.730 18389 12058 1 14 . 1 1 41 41 GLY C C 41 166.652 166.652 172.657 -6.005 18389 12059 1 14 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.763 -2.052 18389 12060 1 14 . 1 1 41 41 GLY H H 41 9.674 9.674 8.454 1.220 18389 12061 1 14 . 1 1 42 42 MET N N 42 119.165 119.165 121.338 -2.173 18389 12062 1 14 . 1 1 42 42 MET HA H 42 4.849 4.849 5.308 -0.459 18389 12063 1 14 . 1 1 42 42 MET C C 42 171.154 171.154 174.120 -2.966 18389 12064 1 14 . 1 1 42 42 MET CA C 42 51.503 51.503 52.890 -1.387 18389 12065 1 14 . 1 1 42 42 MET CB C 42 33.293 33.293 35.598 -2.305 18389 12066 1 14 . 1 1 42 42 MET H H 42 7.550 7.550 8.514 -0.964 18389 12067 1 14 . 1 1 43 43 GLU N N 43 128.221 128.221 128.647 -0.426 18389 12068 1 14 . 1 1 43 43 GLU HA H 43 4.866 4.866 4.770 0.096 18389 12069 1 14 . 1 1 43 43 GLU C C 43 172.612 172.612 174.464 -1.852 18389 12070 1 14 . 1 1 43 43 GLU CA C 43 51.679 51.679 55.351 -3.672 18389 12071 1 14 . 1 1 43 43 GLU CB C 43 30.396 30.396 32.251 -1.855 18389 12072 1 14 . 1 1 43 43 GLU H H 43 9.355 9.355 8.958 0.397 18389 12073 1 14 . 1 1 44 44 VAL N N 44 131.011 131.011 126.883 4.128 18389 12074 1 14 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.906 -0.544 18389 12075 1 14 . 1 1 44 44 VAL C C 44 171.752 171.752 173.437 -1.685 18389 12076 1 14 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.377 -1.042 18389 12077 1 14 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.855 -5.905 18389 12078 1 14 . 1 1 44 44 VAL H H 44 9.002 9.002 8.836 0.166 18389 12079 1 14 . 1 1 45 45 SER N N 45 120.764 120.764 123.593 -2.829 18389 12080 1 14 . 1 1 45 45 SER HA H 45 4.975 4.975 5.204 -0.229 18389 12081 1 14 . 1 1 45 45 SER C C 45 170.500 170.500 172.781 -2.281 18389 12082 1 14 . 1 1 45 45 SER CA C 45 53.547 53.547 56.148 -2.601 18389 12083 1 14 . 1 1 45 45 SER CB C 45 61.650 61.650 64.597 -2.947 18389 12084 1 14 . 1 1 45 45 SER H H 45 8.511 8.511 8.605 -0.094 18389 12085 1 14 . 1 1 46 46 TYR N N 46 123.478 123.478 125.456 -1.978 18389 12086 1 14 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.507 -0.232 18389 12087 1 14 . 1 1 46 46 TYR C C 46 171.644 171.644 174.082 -2.438 18389 12088 1 14 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.313 -3.078 18389 12089 1 14 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.613 -4.148 18389 12090 1 14 . 1 1 46 46 TYR H H 46 8.511 8.511 9.220 -0.709 18389 12091 1 14 . 1 1 47 47 THR N N 47 118.641 118.641 119.928 -1.287 18389 12092 1 14 . 1 1 47 47 THR HA H 47 4.793 4.793 4.216 0.577 18389 12093 1 14 . 1 1 47 47 THR C C 47 171.614 171.614 174.202 -2.588 18389 12094 1 14 . 1 1 47 47 THR CA C 47 58.267 58.267 61.764 -3.497 18389 12095 1 14 . 1 1 47 47 THR CB C 47 68.820 68.820 69.905 -1.085 18389 12096 1 14 . 1 1 47 47 THR H H 47 8.935 8.935 8.147 0.788 18389 12097 1 14 . 1 1 48 48 GLY N N 48 112.467 112.467 111.935 0.532 18389 12098 1 14 . 1 1 48 48 GLY C C 48 170.521 170.521 172.412 -1.891 18389 12099 1 14 . 1 1 48 48 GLY CA C 48 42.076 42.076 42.621 -0.545 18389 12100 1 14 . 1 1 48 48 GLY H H 48 7.723 7.723 7.516 0.207 18389 12101 1 14 . 1 1 49 49 THR N N 49 106.823 106.823 112.378 -5.555 18389 12102 1 14 . 1 1 49 49 THR HA H 49 4.913 4.913 4.397 0.516 18389 12103 1 14 . 1 1 49 49 THR C C 49 172.529 172.529 175.630 -3.101 18389 12104 1 14 . 1 1 49 49 THR CA C 49 57.385 57.385 59.893 -2.508 18389 12105 1 14 . 1 1 49 49 THR CB C 49 69.609 69.609 70.468 -0.858 18389 12106 1 14 . 1 1 49 49 THR H H 49 8.019 8.019 7.116 0.903 18389 12107 1 14 . 1 1 51 51 ASP N N 51 118.095 118.095 120.704 -2.609 18389 12108 1 14 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.875 0.129 18389 12109 1 14 . 1 1 51 51 ASP C C 51 172.913 172.913 176.326 -3.413 18389 12110 1 14 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.834 -2.589 18389 12111 1 14 . 1 1 51 51 ASP CB C 51 38.770 38.770 42.888 -4.118 18389 12112 1 14 . 1 1 51 51 ASP H H 51 8.613 8.613 8.036 0.577 18389 12113 1 14 . 1 1 52 52 GLY N N 52 107.075 107.075 108.522 -1.447 18389 12114 1 14 . 1 1 52 52 GLY C C 52 169.748 169.748 173.036 -3.288 18389 12115 1 14 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.171 -2.265 18389 12116 1 14 . 1 1 52 52 GLY H H 52 7.651 7.651 7.642 0.009 18389 12117 1 14 . 1 1 53 53 TYR N N 53 112.556 112.556 115.177 -2.621 18389 12118 1 14 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.519 -0.898 18389 12119 1 14 . 1 1 53 53 TYR C C 53 169.219 169.219 173.146 -3.927 18389 12120 1 14 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.346 -4.240 18389 12121 1 14 . 1 1 53 53 TYR CB C 53 39.030 39.030 39.956 -0.926 18389 12122 1 14 . 1 1 53 53 TYR H H 53 6.918 6.918 7.959 -1.041 18389 12123 1 14 . 1 1 54 54 TRP N N 54 112.748 112.748 117.461 -4.713 18389 12124 1 14 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.393 -0.014 18389 12125 1 14 . 1 1 54 54 TRP C C 54 171.085 171.085 175.345 -4.260 18389 12126 1 14 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.080 -2.820 18389 12127 1 14 . 1 1 54 54 TRP CB C 54 29.975 29.975 31.552 -1.577 18389 12128 1 14 . 1 1 54 54 TRP H H 54 6.406 6.406 7.703 -1.297 18389 12129 1 14 . 1 1 55 55 GLY N N 55 108.552 108.552 105.699 2.853 18389 12130 1 14 . 1 1 55 55 GLY C C 55 168.023 168.023 171.641 -3.618 18389 12131 1 14 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.365 -1.917 18389 12132 1 14 . 1 1 55 55 GLY H H 55 8.689 8.689 7.860 0.829 18389 12133 1 14 . 1 1 56 56 THR N N 56 113.376 113.376 114.939 -1.563 18389 12134 1 14 . 1 1 56 56 THR HA H 56 5.868 5.868 4.602 1.266 18389 12135 1 14 . 1 1 56 56 THR C C 56 170.376 170.376 173.279 -2.903 18389 12136 1 14 . 1 1 56 56 THR CA C 56 57.238 57.238 61.620 -4.382 18389 12137 1 14 . 1 1 56 56 THR CB C 56 69.053 69.053 72.141 -3.088 18389 12138 1 14 . 1 1 56 56 THR H H 56 9.518 9.518 8.125 1.393 18389 12139 1 14 . 1 1 57 57 VAL N N 57 123.361 123.361 124.880 -1.519 18389 12140 1 14 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.064 1.389 18389 12141 1 14 . 1 1 57 57 VAL C C 57 169.082 169.082 174.100 -5.018 18389 12142 1 14 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.730 -5.681 18389 12143 1 14 . 1 1 57 57 VAL CB C 57 33.347 33.347 34.099 -0.752 18389 12144 1 14 . 1 1 57 57 VAL H H 57 8.956 8.956 8.581 0.375 18389 12145 1 14 . 1 1 58 58 TYR N N 58 131.224 131.224 127.998 3.226 18389 12146 1 14 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.261 -0.685 18389 12147 1 14 . 1 1 58 58 TYR C C 58 172.050 172.050 173.334 -1.284 18389 12148 1 14 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.042 -4.460 18389 12149 1 14 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.611 -6.650 18389 12150 1 14 . 1 1 58 58 TYR H H 58 8.641 8.641 8.886 -0.245 18389 12151 1 14 . 1 1 59 59 SER N N 59 123.126 123.126 123.454 -0.328 18389 12152 1 14 . 1 1 59 59 SER HA H 59 4.304 4.304 4.925 -0.621 18389 12153 1 14 . 1 1 59 59 SER C C 59 170.891 170.891 173.975 -3.084 18389 12154 1 14 . 1 1 59 59 SER CA C 59 55.452 55.452 56.385 -0.933 18389 12155 1 14 . 1 1 59 59 SER CB C 59 60.048 60.048 64.234 -4.186 18389 12156 1 14 . 1 1 59 59 SER H H 59 8.217 8.217 8.927 -0.710 18389 12157 1 14 . 1 1 60 60 LEU N N 60 126.809 126.809 130.140 -3.331 18389 12158 1 14 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.981 -0.728 18389 12159 1 14 . 1 1 60 60 LEU C C 60 173.994 173.994 175.722 -1.728 18389 12160 1 14 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.176 -3.126 18389 12161 1 14 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.172 -2.814 18389 12162 1 14 . 1 1 60 60 LEU H H 60 7.838 7.838 8.305 -0.467 18389 12163 1 14 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.319 0.254 18389 12164 1 14 . 1 1 61 61 PRO C C 61 173.514 173.514 176.811 -3.297 18389 12165 1 14 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.351 -3.099 18389 12166 1 14 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.184 -2.869 18389 12167 1 14 . 1 1 62 62 ASP N N 62 115.943 115.943 115.429 0.514 18389 12168 1 14 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.648 0.191 18389 12169 1 14 . 1 1 62 62 ASP C C 62 172.949 172.949 175.260 -2.311 18389 12170 1 14 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.878 -3.172 18389 12171 1 14 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.656 -2.625 18389 12172 1 14 . 1 1 62 62 ASP H H 62 7.018 7.018 7.869 -0.851 18389 12173 1 14 . 1 1 63 63 GLY N N 63 112.680 112.680 107.602 5.078 18389 12174 1 14 . 1 1 63 63 GLY C C 63 170.273 170.273 173.631 -3.358 18389 12175 1 14 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.392 -1.391 18389 12176 1 14 . 1 1 63 63 GLY H H 63 8.417 8.417 8.165 0.252 18389 12177 1 14 . 1 1 64 64 ASP N N 64 115.221 115.221 119.446 -4.225 18389 12178 1 14 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.548 0.745 18389 12179 1 14 . 1 1 64 64 ASP C C 64 174.354 174.354 176.251 -1.897 18389 12180 1 14 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.105 -1.837 18389 12181 1 14 . 1 1 64 64 ASP CB C 64 37.340 37.340 38.467 -1.127 18389 12182 1 14 . 1 1 64 64 ASP H H 64 7.766 7.766 8.370 -0.604 18389 12183 1 14 . 1 1 65 65 TRP N N 65 130.747 130.747 119.456 11.291 18389 12184 1 14 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.842 0.589 18389 12185 1 14 . 1 1 65 65 TRP C C 65 173.930 173.930 177.976 -4.046 18389 12186 1 14 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.918 -4.874 18389 12187 1 14 . 1 1 65 65 TRP CB C 65 26.607 26.607 27.476 -0.869 18389 12188 1 14 . 1 1 65 65 TRP H H 65 9.687 9.687 7.450 2.237 18389 12189 1 14 . 1 1 66 66 SER N N 66 114.151 114.151 114.998 -0.847 18389 12190 1 14 . 1 1 66 66 SER HA H 66 4.041 4.041 4.205 -0.164 18389 12191 1 14 . 1 1 66 66 SER CA C 66 59.812 59.812 60.418 -0.606 18389 12192 1 14 . 1 1 66 66 SER CB C 66 60.892 60.892 62.854 -1.962 18389 12193 1 14 . 1 1 66 66 SER H H 66 8.568 8.568 8.140 0.428 18389 12194 1 14 . 1 1 70 70 LYS N N 70 117.090 117.090 115.962 1.128 18389 12195 1 14 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.796 -0.398 18389 12196 1 14 . 1 1 70 70 LYS C C 70 170.030 170.030 174.341 -4.311 18389 12197 1 14 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.975 -4.117 18389 12198 1 14 . 1 1 70 70 LYS CB C 70 34.956 34.956 37.260 -2.304 18389 12199 1 14 . 1 1 70 70 LYS H H 70 8.308 8.308 7.911 0.397 18389 12200 1 14 . 1 1 71 71 ILE N N 71 118.764 118.764 120.072 -1.308 18389 12201 1 14 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.794 0.420 18389 12202 1 14 . 1 1 71 71 ILE C C 71 169.396 169.396 173.893 -4.497 18389 12203 1 14 . 1 1 71 71 ILE CA C 71 55.333 55.333 58.862 -3.530 18389 12204 1 14 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.622 -1.976 18389 12205 1 14 . 1 1 71 71 ILE H H 71 7.816 7.816 8.819 -1.003 18389 12206 1 14 . 1 1 72 72 SER N N 72 120.952 120.952 118.799 2.153 18389 12207 1 14 . 1 1 72 72 SER HA H 72 5.852 5.852 5.250 0.602 18389 12208 1 14 . 1 1 72 72 SER C C 72 170.208 170.208 173.036 -2.828 18389 12209 1 14 . 1 1 72 72 SER CA C 72 52.457 52.457 56.301 -3.844 18389 12210 1 14 . 1 1 72 72 SER CB C 72 64.125 64.125 65.113 -0.988 18389 12211 1 14 . 1 1 72 72 SER H H 72 9.237 9.237 8.780 0.457 18389 12212 1 14 . 1 1 73 73 PHE N N 73 117.161 117.161 120.719 -3.558 18389 12213 1 14 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.678 -0.307 18389 12214 1 14 . 1 1 73 73 PHE C C 73 170.381 170.381 173.611 -3.230 18389 12215 1 14 . 1 1 73 73 PHE CA C 73 53.797 53.797 54.892 -1.095 18389 12216 1 14 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.466 -2.894 18389 12217 1 14 . 1 1 73 73 PHE H H 73 8.093 8.093 8.669 -0.576 18389 12218 1 14 . 1 1 74 74 ASP N N 74 120.210 120.210 120.614 -0.404 18389 12219 1 14 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.213 0.941 18389 12220 1 14 . 1 1 74 74 ASP C C 74 173.653 173.653 175.074 -1.421 18389 12221 1 14 . 1 1 74 74 ASP CA C 74 50.896 50.896 54.135 -3.239 18389 12222 1 14 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.327 -1.840 18389 12223 1 14 . 1 1 74 74 ASP H H 74 8.993 8.993 8.768 0.225 18389 12224 1 14 . 1 1 75 75 ILE N N 75 121.051 121.051 121.058 -0.007 18389 12225 1 14 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.883 1.370 18389 12226 1 14 . 1 1 75 75 ILE C C 75 171.229 171.229 173.070 -1.841 18389 12227 1 14 . 1 1 75 75 ILE CA C 75 57.521 57.521 60.819 -3.298 18389 12228 1 14 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.456 0.065 18389 12229 1 14 . 1 1 75 75 ILE H H 75 9.681 9.681 8.192 1.489 18389 12230 1 14 . 1 1 76 76 LYS N N 76 124.693 124.693 127.566 -2.873 18389 12231 1 14 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.784 0.047 18389 12232 1 14 . 1 1 76 76 LYS C C 76 172.283 172.283 174.980 -2.697 18389 12233 1 14 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.793 -1.391 18389 12234 1 14 . 1 1 76 76 LYS CB C 76 32.722 32.722 36.524 -3.802 18389 12235 1 14 . 1 1 76 76 LYS H H 76 8.454 8.454 8.090 0.364 18389 12236 1 14 . 1 1 77 77 SER N N 77 118.916 118.916 121.269 -2.353 18389 12237 1 14 . 1 1 77 77 SER HA H 77 4.816 4.816 4.469 0.347 18389 12238 1 14 . 1 1 77 77 SER C C 77 172.741 172.741 174.175 -1.434 18389 12239 1 14 . 1 1 77 77 SER CA C 77 55.341 55.341 59.731 -4.390 18389 12240 1 14 . 1 1 77 77 SER CB C 77 61.792 61.792 63.535 -1.743 18389 12241 1 14 . 1 1 77 77 SER H H 77 9.236 9.236 8.879 0.357 18389 12242 1 14 . 1 1 78 78 VAL N N 78 120.723 120.723 124.291 -3.568 18389 12243 1 14 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.300 0.034 18389 12244 1 14 . 1 1 78 78 VAL C C 78 172.941 172.941 175.474 -2.533 18389 12245 1 14 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.687 -1.892 18389 12246 1 14 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.562 -2.294 18389 12247 1 14 . 1 1 78 78 VAL H H 78 8.132 8.132 8.179 -0.047 18389 12248 1 14 . 1 1 79 79 ASP N N 79 119.240 119.240 118.889 0.351 18389 12249 1 14 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.763 -0.022 18389 12250 1 14 . 1 1 79 79 ASP C C 79 174.199 174.199 174.985 -0.786 18389 12251 1 14 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.667 -3.555 18389 12252 1 14 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.525 -3.452 18389 12253 1 14 . 1 1 79 79 ASP H H 79 8.190 8.190 7.710 0.480 18389 12254 1 14 . 1 1 80 80 GLY N N 80 108.323 108.323 111.249 -2.926 18389 12255 1 14 . 1 1 80 80 GLY C C 80 171.858 171.858 172.871 -1.013 18389 12256 1 14 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.668 -2.565 18389 12257 1 14 . 1 1 80 80 GLY H H 80 8.275 8.275 8.078 0.197 18389 12258 1 14 . 1 1 81 81 SER N N 81 116.291 116.291 114.603 1.688 18389 12259 1 14 . 1 1 81 81 SER HA H 81 4.588 4.588 4.650 -0.062 18389 12260 1 14 . 1 1 81 81 SER C C 81 171.588 171.588 174.533 -2.945 18389 12261 1 14 . 1 1 81 81 SER CA C 81 55.552 55.552 57.858 -2.306 18389 12262 1 14 . 1 1 81 81 SER CB C 81 61.910 61.910 66.216 -4.306 18389 12263 1 14 . 1 1 81 81 SER H H 81 8.201 8.201 8.366 -0.165 18389 12264 1 14 . 1 1 82 82 ALA N N 82 128.019 128.019 125.343 2.676 18389 12265 1 14 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.355 0.607 18389 12266 1 14 . 1 1 82 82 ALA C C 82 173.332 173.332 176.324 -2.992 18389 12267 1 14 . 1 1 82 82 ALA CA C 82 49.079 49.079 52.048 -2.969 18389 12268 1 14 . 1 1 82 82 ALA CB C 82 16.570 16.570 17.484 -0.914 18389 12269 1 14 . 1 1 82 82 ALA H H 82 8.613 8.613 8.588 0.025 18389 12270 1 14 . 1 1 83 83 ASN N N 83 119.651 119.651 118.553 1.098 18389 12271 1 14 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.996 0.066 18389 12272 1 14 . 1 1 83 83 ASN C C 83 170.848 170.848 174.301 -3.453 18389 12273 1 14 . 1 1 83 83 ASN CA C 83 50.760 50.760 51.856 -1.096 18389 12274 1 14 . 1 1 83 83 ASN CB C 83 38.789 38.789 40.672 -1.883 18389 12275 1 14 . 1 1 83 83 ASN H H 83 8.153 8.153 7.848 0.305 18389 12276 1 14 . 1 1 84 84 GLU N N 84 127.150 127.150 120.196 6.954 18389 12277 1 14 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.385 0.327 18389 12278 1 14 . 1 1 84 84 GLU C C 84 171.647 171.647 175.795 -4.148 18389 12279 1 14 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.604 -1.832 18389 12280 1 14 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.676 -1.975 18389 12281 1 14 . 1 1 84 84 GLU H H 84 8.122 8.122 8.446 -0.324 18389 12282 1 14 . 1 1 85 85 ILE N N 85 117.590 117.590 114.263 3.327 18389 12283 1 14 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.625 0.008 18389 12284 1 14 . 1 1 85 85 ILE C C 85 171.902 171.902 174.279 -2.377 18389 12285 1 14 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.489 -1.458 18389 12286 1 14 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.541 -1.288 18389 12287 1 14 . 1 1 85 85 ILE H H 85 8.910 8.910 8.676 0.234 18389 12288 1 14 . 1 1 86 86 ARG N N 86 116.697 116.697 117.797 -1.100 18389 12289 1 14 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.384 0.012 18389 12290 1 14 . 1 1 86 86 ARG C C 86 171.787 171.787 175.170 -3.383 18389 12291 1 14 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.076 -0.961 18389 12292 1 14 . 1 1 86 86 ARG CB C 86 32.062 32.062 34.569 -2.507 18389 12293 1 14 . 1 1 86 86 ARG H H 86 9.149 9.149 8.504 0.645 18389 12294 1 14 . 1 1 87 87 PHE N N 87 123.607 123.607 118.844 4.763 18389 12295 1 14 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.305 0.183 18389 12296 1 14 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.627 -2.810 18389 12297 1 14 . 1 1 87 87 PHE CB C 87 40.112 40.112 43.934 -3.822 18389 12298 1 14 . 1 1 87 87 PHE H H 87 9.235 9.235 9.245 -0.010 18389 12299 1 14 . 1 1 88 88 MET N N 88 129.893 129.893 121.096 8.797 18389 12300 1 14 . 1 1 88 88 MET HA H 88 5.836 5.836 5.584 0.252 18389 12301 1 14 . 1 1 88 88 MET C C 88 170.768 170.768 174.206 -3.438 18389 12302 1 14 . 1 1 88 88 MET CA C 88 51.118 51.118 54.104 -2.986 18389 12303 1 14 . 1 1 88 88 MET CB C 88 37.224 37.224 37.246 -0.022 18389 12304 1 14 . 1 1 88 88 MET H H 88 8.868 8.868 8.973 -0.105 18389 12305 1 14 . 1 1 89 89 ILE N N 89 124.630 124.630 124.019 0.611 18389 12306 1 14 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.051 -0.513 18389 12307 1 14 . 1 1 89 89 ILE C C 89 171.047 171.047 173.838 -2.791 18389 12308 1 14 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.836 -1.865 18389 12309 1 14 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.330 -3.409 18389 12310 1 14 . 1 1 89 89 ILE H H 89 9.258 9.258 9.249 0.009 18389 12311 1 14 . 1 1 90 90 ALA N N 90 128.743 128.743 128.975 -0.232 18389 12312 1 14 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.340 0.326 18389 12313 1 14 . 1 1 90 90 ALA C C 90 176.041 176.041 176.966 -0.925 18389 12314 1 14 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.777 -2.956 18389 12315 1 14 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.006 -2.675 18389 12316 1 14 . 1 1 90 90 ALA H H 90 8.749 8.749 9.033 -0.284 18389 12317 1 14 . 1 1 91 91 GLU N N 91 121.616 121.616 125.182 -3.566 18389 12318 1 14 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.418 0.300 18389 12319 1 14 . 1 1 91 91 GLU C C 91 174.217 174.217 177.093 -2.876 18389 12320 1 14 . 1 1 91 91 GLU CA C 91 53.143 53.143 56.801 -3.658 18389 12321 1 14 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.216 -1.369 18389 12322 1 14 . 1 1 91 91 GLU H H 91 8.749 8.749 8.742 0.007 18389 12323 1 14 . 1 1 92 92 LYS N N 92 117.975 117.975 119.335 -1.360 18389 12324 1 14 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.504 -0.135 18389 12325 1 14 . 1 1 92 92 LYS C C 92 174.743 174.743 176.877 -2.134 18389 12326 1 14 . 1 1 92 92 LYS CA C 92 54.360 54.360 55.050 -0.690 18389 12327 1 14 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.148 -2.492 18389 12328 1 14 . 1 1 92 92 LYS H H 92 8.014 8.014 8.169 -0.155 18389 12329 1 14 . 1 1 93 93 SER N N 93 115.092 115.092 116.174 -1.082 18389 12330 1 14 . 1 1 93 93 SER HA H 93 4.215 4.215 4.523 -0.308 18389 12331 1 14 . 1 1 93 93 SER C C 93 174.964 174.964 175.732 -0.768 18389 12332 1 14 . 1 1 93 93 SER CA C 93 53.874 53.874 58.286 -4.412 18389 12333 1 14 . 1 1 93 93 SER CB C 93 61.736 61.736 63.882 -2.146 18389 12334 1 14 . 1 1 93 93 SER H H 93 8.083 8.083 8.746 -0.663 18389 12335 1 14 . 1 1 94 94 ILE N N 94 121.880 121.880 120.661 1.219 18389 12336 1 14 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.247 0.139 18389 12337 1 14 . 1 1 94 94 ILE C C 94 174.020 174.020 176.702 -2.682 18389 12338 1 14 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.347 -2.002 18389 12339 1 14 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.286 -2.285 18389 12340 1 14 . 1 1 94 94 ILE H H 94 9.150 9.150 8.319 0.831 18389 12341 1 14 . 1 1 95 95 ASN N N 95 117.349 117.349 119.651 -2.302 18389 12342 1 14 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.765 0.290 18389 12343 1 14 . 1 1 95 95 ASN C C 95 173.659 173.659 175.908 -2.249 18389 12344 1 14 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.251 -3.864 18389 12345 1 14 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.256 -1.590 18389 12346 1 14 . 1 1 95 95 ASN H H 95 8.163 8.163 8.158 0.005 18389 12347 1 14 . 1 1 96 96 GLY N N 96 106.957 106.957 106.872 0.085 18389 12348 1 14 . 1 1 96 96 GLY C C 96 170.704 170.704 174.481 -3.777 18389 12349 1 14 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.313 -1.994 18389 12350 1 14 . 1 1 96 96 GLY H H 96 7.530 7.530 7.845 -0.315 18389 12351 1 14 . 1 1 97 97 VAL N N 97 119.393 119.393 120.676 -1.283 18389 12352 1 14 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.244 0.110 18389 12353 1 14 . 1 1 97 97 VAL C C 97 173.622 173.622 177.103 -3.481 18389 12354 1 14 . 1 1 97 97 VAL CA C 97 59.142 59.142 62.134 -2.992 18389 12355 1 14 . 1 1 97 97 VAL CB C 97 30.771 30.771 32.296 -1.525 18389 12356 1 14 . 1 1 97 97 VAL H H 97 7.650 7.650 7.450 0.200 18389 12357 1 14 . 1 1 98 98 GLY N N 98 115.075 115.075 108.437 6.638 18389 12358 1 14 . 1 1 98 98 GLY C C 98 170.065 170.065 173.889 -3.824 18389 12359 1 14 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.930 -3.191 18389 12360 1 14 . 1 1 98 98 GLY H H 98 8.712 8.712 8.595 0.117 18389 12361 1 14 . 1 1 99 99 ASP N N 99 119.064 119.064 118.468 0.596 18389 12362 1 14 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.828 -0.153 18389 12363 1 14 . 1 1 99 99 ASP C C 99 172.502 172.502 175.299 -2.797 18389 12364 1 14 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.204 -2.623 18389 12365 1 14 . 1 1 99 99 ASP CB C 99 39.195 39.195 44.104 -4.909 18389 12366 1 14 . 1 1 99 99 ASP H H 99 8.746 8.746 7.505 1.241 18389 12367 1 14 . 1 1 100 100 GLY N N 100 109.333 109.333 107.928 1.405 18389 12368 1 14 . 1 1 100 100 GLY C C 100 167.638 167.638 174.238 -6.600 18389 12369 1 14 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.132 -4.023 18389 12370 1 14 . 1 1 100 100 GLY H H 100 8.285 8.285 8.675 -0.390 18389 12371 1 14 . 1 1 101 101 GLU N N 101 120.835 120.835 120.288 0.547 18389 12372 1 14 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.287 0.440 18389 12373 1 14 . 1 1 101 101 GLU C C 101 173.652 173.652 175.632 -1.980 18389 12374 1 14 . 1 1 101 101 GLU CA C 101 55.449 55.449 57.164 -1.715 18389 12375 1 14 . 1 1 101 101 GLU CB C 101 31.014 31.014 30.827 0.187 18389 12376 1 14 . 1 1 101 101 GLU H H 101 8.339 8.339 8.194 0.145 18389 12377 1 14 . 1 1 102 102 HIS N N 102 126.597 126.597 121.101 5.496 18389 12378 1 14 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.236 0.170 18389 12379 1 14 . 1 1 102 102 HIS C C 102 174.479 174.479 173.631 0.848 18389 12380 1 14 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.303 -1.391 18389 12381 1 14 . 1 1 102 102 HIS CB C 102 33.756 33.756 32.446 1.310 18389 12382 1 14 . 1 1 102 102 HIS H H 102 10.029 10.029 8.589 1.440 18389 12383 1 14 . 1 1 103 103 TRP N N 103 125.616 125.616 125.953 -0.337 18389 12384 1 14 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.466 -0.435 18389 12385 1 14 . 1 1 103 103 TRP C C 103 173.236 173.236 174.751 -1.515 18389 12386 1 14 . 1 1 103 103 TRP CA C 103 54.833 54.833 55.996 -1.163 18389 12387 1 14 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.905 -3.715 18389 12388 1 14 . 1 1 103 103 TRP H H 103 9.242 9.242 8.671 0.571 18389 12389 1 14 . 1 1 104 104 VAL N N 104 114.086 114.086 114.105 -0.019 18389 12390 1 14 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.491 0.642 18389 12391 1 14 . 1 1 104 104 VAL C C 104 173.194 173.194 173.312 -0.118 18389 12392 1 14 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.463 -2.134 18389 12393 1 14 . 1 1 104 104 VAL CB C 104 35.443 35.443 36.094 -0.651 18389 12394 1 14 . 1 1 104 104 VAL H H 104 10.273 10.273 9.528 0.745 18389 12395 1 14 . 1 1 105 105 TYR N N 105 123.278 123.278 123.196 0.082 18389 12396 1 14 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.791 -0.131 18389 12397 1 14 . 1 1 105 105 TYR C C 105 172.030 172.030 173.233 -1.203 18389 12398 1 14 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.289 -0.567 18389 12399 1 14 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.519 -0.546 18389 12400 1 14 . 1 1 105 105 TYR H H 105 9.219 9.219 8.584 0.635 18389 12401 1 14 . 1 1 106 106 SER N N 106 123.619 123.619 122.019 1.600 18389 12402 1 14 . 1 1 106 106 SER HA H 106 5.226 5.226 5.339 -0.113 18389 12403 1 14 . 1 1 106 106 SER C C 106 170.291 170.291 172.707 -2.416 18389 12404 1 14 . 1 1 106 106 SER CA C 106 56.800 56.800 56.805 -0.005 18389 12405 1 14 . 1 1 106 106 SER CB C 106 61.265 61.265 64.720 -3.455 18389 12406 1 14 . 1 1 106 106 SER H H 106 7.768 7.768 8.327 -0.559 18389 12407 1 14 . 1 1 107 107 ILE N N 107 120.192 120.192 120.129 0.063 18389 12408 1 14 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.564 0.195 18389 12409 1 14 . 1 1 107 107 ILE C C 107 171.471 171.471 173.792 -2.321 18389 12410 1 14 . 1 1 107 107 ILE CA C 107 57.011 57.011 58.835 -1.824 18389 12411 1 14 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.580 -1.821 18389 12412 1 14 . 1 1 107 107 ILE H H 107 8.942 8.942 8.806 0.136 18389 12413 1 14 . 1 1 108 108 THR N N 108 118.723 118.723 113.104 5.619 18389 12414 1 14 . 1 1 108 108 THR HA H 108 5.017 5.017 4.672 0.345 18389 12415 1 14 . 1 1 108 108 THR C C 108 170.359 170.359 173.263 -2.904 18389 12416 1 14 . 1 1 108 108 THR CA C 108 56.686 56.686 59.242 -2.556 18389 12417 1 14 . 1 1 108 108 THR CB C 108 67.488 67.488 68.291 -0.803 18389 12418 1 14 . 1 1 108 108 THR H H 108 8.718 8.718 8.160 0.558 18389 12419 1 14 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.272 0.138 18389 12420 1 14 . 1 1 109 109 PRO C C 109 171.443 171.443 175.764 -4.321 18389 12421 1 14 . 1 1 109 109 PRO CA C 109 59.824 59.824 63.014 -3.191 18389 12422 1 14 . 1 1 109 109 PRO CB C 109 29.978 29.978 32.141 -2.163 18389 12423 1 14 . 1 1 110 110 ASP N N 110 122.785 122.785 117.583 5.202 18389 12424 1 14 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.785 0.363 18389 12425 1 14 . 1 1 110 110 ASP C C 110 174.113 174.113 176.333 -2.220 18389 12426 1 14 . 1 1 110 110 ASP CA C 110 50.056 50.056 52.472 -2.416 18389 12427 1 14 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.221 -2.532 18389 12428 1 14 . 1 1 110 110 ASP H H 110 9.061 9.061 8.110 0.951 18389 12429 1 14 . 1 1 111 111 SER N N 111 112.595 112.595 113.349 -0.754 18389 12430 1 14 . 1 1 111 111 SER HA H 111 4.432 4.432 4.745 -0.313 18389 12431 1 14 . 1 1 111 111 SER CA C 111 58.333 58.333 58.872 -0.539 18389 12432 1 14 . 1 1 111 111 SER CB C 111 61.046 61.046 64.579 -3.534 18389 12433 1 14 . 1 1 111 111 SER H H 111 8.435 8.435 8.433 0.002 18389 12434 1 14 . 1 1 112 112 SER N N 112 116.615 116.615 117.628 -1.013 18389 12435 1 14 . 1 1 112 112 SER HA H 112 4.862 4.862 4.489 0.373 18389 12436 1 14 . 1 1 112 112 SER C C 112 170.519 170.519 173.849 -3.330 18389 12437 1 14 . 1 1 112 112 SER CA C 112 54.017 54.017 59.932 -5.915 18389 12438 1 14 . 1 1 112 112 SER CB C 112 62.948 62.948 64.058 -1.110 18389 12439 1 14 . 1 1 112 112 SER H H 112 8.035 8.035 7.978 0.057 18389 12440 1 14 . 1 1 113 113 TRP N N 113 120.576 120.576 118.898 1.678 18389 12441 1 14 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.638 -0.084 18389 12442 1 14 . 1 1 113 113 TRP C C 113 174.599 174.599 174.788 -0.189 18389 12443 1 14 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.228 -0.346 18389 12444 1 14 . 1 1 113 113 TRP CB C 113 27.360 27.360 31.975 -4.615 18389 12445 1 14 . 1 1 113 113 TRP H H 113 8.318 8.318 7.241 1.077 18389 12446 1 14 . 1 1 114 114 LYS N N 114 123.372 123.372 122.401 0.971 18389 12447 1 14 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.227 0.667 18389 12448 1 14 . 1 1 114 114 LYS C C 114 172.772 172.772 175.680 -2.908 18389 12449 1 14 . 1 1 114 114 LYS CA C 114 52.948 52.948 57.118 -4.170 18389 12450 1 14 . 1 1 114 114 LYS CB C 114 34.250 34.250 31.250 3.000 18389 12451 1 14 . 1 1 114 114 LYS H H 114 8.782 8.782 7.135 1.647 18389 12452 1 14 . 1 1 115 115 THR N N 115 120.929 120.929 120.632 0.297 18389 12453 1 14 . 1 1 115 115 THR HA H 115 5.226 5.226 4.865 0.361 18389 12454 1 14 . 1 1 115 115 THR C C 115 171.778 171.778 172.916 -1.138 18389 12455 1 14 . 1 1 115 115 THR CA C 115 59.671 59.671 61.670 -1.999 18389 12456 1 14 . 1 1 115 115 THR CB C 115 66.938 66.938 71.798 -4.860 18389 12457 1 14 . 1 1 115 115 THR H H 115 8.689 8.689 8.172 0.517 18389 12458 1 14 . 1 1 116 116 ILE N N 116 131.929 131.929 123.217 8.712 18389 12459 1 14 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.537 -0.353 18389 12460 1 14 . 1 1 116 116 ILE C C 116 171.012 171.012 173.372 -2.360 18389 12461 1 14 . 1 1 116 116 ILE CA C 116 56.357 56.357 58.731 -2.374 18389 12462 1 14 . 1 1 116 116 ILE CB C 116 34.331 34.331 41.592 -7.261 18389 12463 1 14 . 1 1 116 116 ILE H H 116 9.470 9.470 8.876 0.594 18389 12464 1 14 . 1 1 117 117 GLU N N 117 124.514 124.514 124.830 -0.316 18389 12465 1 14 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.962 -0.092 18389 12466 1 14 . 1 1 117 117 GLU C C 117 173.332 173.332 175.360 -2.028 18389 12467 1 14 . 1 1 117 117 GLU CA C 117 51.798 51.798 54.450 -2.651 18389 12468 1 14 . 1 1 117 117 GLU CB C 117 29.693 29.693 31.585 -1.892 18389 12469 1 14 . 1 1 117 117 GLU H H 117 8.089 8.089 8.316 -0.227 18389 12470 1 14 . 1 1 118 118 ILE N N 118 125.005 125.005 120.908 4.097 18389 12471 1 14 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.483 -0.060 18389 12472 1 14 . 1 1 118 118 ILE C C 118 171.765 171.765 172.967 -1.202 18389 12473 1 14 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.291 -2.651 18389 12474 1 14 . 1 1 118 118 ILE CB C 118 37.429 37.429 41.489 -4.059 18389 12475 1 14 . 1 1 118 118 ILE H H 118 9.322 9.322 8.827 0.495 18389 12476 1 14 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.719 0.118 18389 12477 1 14 . 1 1 119 119 PRO C C 119 176.780 176.780 178.179 -1.399 18389 12478 1 14 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.481 -2.078 18389 12479 1 14 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.369 -3.304 18389 12480 1 14 . 1 1 120 120 PHE N N 120 124.627 124.627 117.081 7.546 18389 12481 1 14 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.173 0.821 18389 12482 1 14 . 1 1 120 120 PHE C C 120 175.402 175.402 176.058 -0.656 18389 12483 1 14 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.145 -0.873 18389 12484 1 14 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.833 -2.588 18389 12485 1 14 . 1 1 120 120 PHE H H 120 8.160 8.160 8.271 -0.111 18389 12486 1 14 . 1 1 121 121 SER N N 121 110.551 110.551 112.541 -1.990 18389 12487 1 14 . 1 1 121 121 SER HA H 121 4.647 4.647 4.282 0.365 18389 12488 1 14 . 1 1 121 121 SER C C 121 173.187 173.187 175.005 -1.818 18389 12489 1 14 . 1 1 121 121 SER CA C 121 57.359 57.359 59.148 -1.789 18389 12490 1 14 . 1 1 121 121 SER CB C 121 60.639 60.639 63.039 -2.400 18389 12491 1 14 . 1 1 121 121 SER H H 121 8.367 8.367 7.762 0.605 18389 12492 1 14 . 1 1 122 122 SER N N 122 117.166 117.166 116.090 1.076 18389 12493 1 14 . 1 1 122 122 SER HA H 122 4.946 4.946 4.177 0.769 18389 12494 1 14 . 1 1 122 122 SER C C 122 172.296 172.296 174.023 -1.727 18389 12495 1 14 . 1 1 122 122 SER CA C 122 57.525 57.525 58.844 -1.319 18389 12496 1 14 . 1 1 122 122 SER CB C 122 61.716 61.716 63.293 -1.577 18389 12497 1 14 . 1 1 122 122 SER H H 122 8.537 8.537 7.412 1.125 18389 12498 1 14 . 1 1 123 123 PHE N N 123 119.840 119.840 120.428 -0.588 18389 12499 1 14 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.593 0.054 18389 12500 1 14 . 1 1 123 123 PHE C C 123 173.527 173.527 175.651 -2.124 18389 12501 1 14 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.819 -1.040 18389 12502 1 14 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.630 -1.083 18389 12503 1 14 . 1 1 123 123 PHE H H 123 7.807 7.807 7.463 0.344 18389 12504 1 14 . 1 1 124 124 ARG N N 124 120.098 120.098 121.985 -1.887 18389 12505 1 14 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.017 0.324 18389 12506 1 14 . 1 1 124 124 ARG C C 124 172.631 172.631 175.182 -2.551 18389 12507 1 14 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.595 -2.270 18389 12508 1 14 . 1 1 124 124 ARG CB C 124 30.721 30.721 34.395 -3.675 18389 12509 1 14 . 1 1 124 124 ARG H H 124 9.297 9.297 9.167 0.130 18389 12510 1 14 . 1 1 125 125 ARG N N 125 126.739 126.739 122.462 4.277 18389 12511 1 14 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.016 -1.054 18389 12512 1 14 . 1 1 125 125 ARG C C 125 174.319 174.319 175.876 -1.557 18389 12513 1 14 . 1 1 125 125 ARG CA C 125 55.036 55.036 56.320 -1.284 18389 12514 1 14 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.428 -3.080 18389 12515 1 14 . 1 1 125 125 ARG H H 125 8.611 8.611 8.632 -0.021 18389 12516 1 14 . 1 1 126 126 ARG N N 126 126.556 126.556 126.508 0.048 18389 12517 1 14 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.253 -0.289 18389 12518 1 14 . 1 1 126 126 ARG C C 126 174.021 174.021 175.019 -0.998 18389 12519 1 14 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.432 -0.894 18389 12520 1 14 . 1 1 126 126 ARG CB C 126 29.739 29.739 29.852 -0.113 18389 12521 1 14 . 1 1 126 126 ARG H H 126 7.917 7.917 8.084 -0.167 18389 12522 1 14 . 1 1 127 127 LEU N N 127 124.550 124.550 126.288 -1.738 18389 12523 1 14 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.540 0.114 18389 12524 1 14 . 1 1 127 127 LEU C C 127 175.775 175.775 177.706 -1.931 18389 12525 1 14 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.150 -1.942 18389 12526 1 14 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.633 -1.255 18389 12527 1 14 . 1 1 127 127 LEU H H 127 8.817 8.817 8.475 0.342 18389 12528 1 14 . 1 1 128 128 ASP N N 128 116.209 116.209 119.625 -3.416 18389 12529 1 14 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.510 0.039 18389 12530 1 14 . 1 1 128 128 ASP C C 128 172.491 172.491 174.819 -2.328 18389 12531 1 14 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.331 -2.838 18389 12532 1 14 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.078 -4.496 18389 12533 1 14 . 1 1 128 128 ASP H H 128 9.072 9.072 8.170 0.902 18389 12534 1 14 . 1 1 129 129 TYR N N 129 119.329 119.329 117.691 1.638 18389 12535 1 14 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.619 -0.266 18389 12536 1 14 . 1 1 129 129 TYR C C 129 169.992 169.992 173.239 -3.247 18389 12537 1 14 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.039 -0.695 18389 12538 1 14 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.633 -2.186 18389 12539 1 14 . 1 1 129 129 TYR H H 129 7.002 7.002 7.521 -0.519 18389 12540 1 14 . 1 1 130 130 GLN N N 130 121.469 121.469 124.059 -2.590 18389 12541 1 14 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.187 -0.278 18389 12542 1 14 . 1 1 130 130 GLN C C 130 170.223 170.223 172.918 -2.695 18389 12543 1 14 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.213 -2.424 18389 12544 1 14 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.175 -1.550 18389 12545 1 14 . 1 1 130 130 GLN H H 130 6.288 6.288 7.898 -1.610 18389 12546 1 14 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.283 0.127 18389 12547 1 14 . 1 1 132 132 PRO C C 132 175.720 175.720 177.234 -1.514 18389 12548 1 14 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.361 -2.288 18389 12549 1 14 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.910 -2.795 18389 12550 1 14 . 1 1 133 133 GLY N N 133 104.558 104.558 108.071 -3.513 18389 12551 1 14 . 1 1 133 133 GLY C C 133 171.229 171.229 173.610 -2.381 18389 12552 1 14 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.781 -1.266 18389 12553 1 14 . 1 1 133 133 GLY H H 133 8.298 8.298 8.641 -0.343 18389 12554 1 14 . 1 1 134 134 GLN N N 134 116.684 116.684 119.384 -2.700 18389 12555 1 14 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.112 0.255 18389 12556 1 14 . 1 1 134 134 GLN C C 134 172.815 172.815 175.710 -2.895 18389 12557 1 14 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.070 -1.266 18389 12558 1 14 . 1 1 134 134 GLN CB C 134 24.866 24.866 28.745 -3.879 18389 12559 1 14 . 1 1 134 134 GLN H H 134 7.273 7.273 7.411 -0.138 18389 12560 1 14 . 1 1 135 135 ASP N N 135 118.688 118.688 119.111 -0.423 18389 12561 1 14 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.466 -0.104 18389 12562 1 14 . 1 1 135 135 ASP C C 135 174.301 174.301 176.270 -1.969 18389 12563 1 14 . 1 1 135 135 ASP CA C 135 51.810 51.810 53.986 -2.176 18389 12564 1 14 . 1 1 135 135 ASP CB C 135 36.904 36.904 40.244 -3.340 18389 12565 1 14 . 1 1 135 135 ASP H H 135 8.844 8.844 8.510 0.334 18389 12566 1 14 . 1 1 136 136 MET N N 136 114.721 114.721 115.925 -1.204 18389 12567 1 14 . 1 1 136 136 MET HA H 136 4.035 4.035 4.129 -0.094 18389 12568 1 14 . 1 1 136 136 MET C C 136 174.252 174.252 176.428 -2.176 18389 12569 1 14 . 1 1 136 136 MET CA C 136 54.461 54.461 57.231 -2.770 18389 12570 1 14 . 1 1 136 136 MET CB C 136 29.439 29.439 31.796 -2.357 18389 12571 1 14 . 1 1 136 136 MET H H 136 7.585 7.585 8.213 -0.628 18389 12572 1 14 . 1 1 137 137 SER N N 137 118.130 118.130 114.417 3.713 18389 12573 1 14 . 1 1 137 137 SER HA H 137 4.392 4.392 4.470 -0.078 18389 12574 1 14 . 1 1 137 137 SER C C 137 174.811 174.811 176.157 -1.346 18389 12575 1 14 . 1 1 137 137 SER CA C 137 57.841 57.841 59.527 -1.686 18389 12576 1 14 . 1 1 137 137 SER CB C 137 62.369 62.369 64.313 -1.944 18389 12577 1 14 . 1 1 137 137 SER H H 137 9.140 9.140 7.950 1.190 18389 12578 1 14 . 1 1 138 138 GLY N N 138 114.534 114.534 111.347 3.187 18389 12579 1 14 . 1 1 138 138 GLY C C 138 170.903 170.903 174.621 -3.718 18389 12580 1 14 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.938 -1.741 18389 12581 1 14 . 1 1 138 138 GLY H H 138 10.549 10.549 8.683 1.866 18389 12582 1 14 . 1 1 139 139 THR N N 139 112.564 112.564 116.684 -4.120 18389 12583 1 14 . 1 1 139 139 THR HA H 139 4.538 4.538 4.619 -0.081 18389 12584 1 14 . 1 1 139 139 THR C C 139 168.086 168.086 173.358 -5.272 18389 12585 1 14 . 1 1 139 139 THR CA C 139 57.132 57.132 61.169 -4.037 18389 12586 1 14 . 1 1 139 139 THR CB C 139 68.854 68.854 71.496 -2.642 18389 12587 1 14 . 1 1 139 139 THR H H 139 8.504 8.504 7.742 0.762 18389 12588 1 14 . 1 1 140 140 LEU N N 140 129.971 129.971 125.636 4.335 18389 12589 1 14 . 1 1 140 140 LEU HA H 140 3.771 3.771 3.975 -0.204 18389 12590 1 14 . 1 1 140 140 LEU C C 140 172.175 172.175 175.475 -3.300 18389 12591 1 14 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.744 -2.409 18389 12592 1 14 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.397 -5.525 18389 12593 1 14 . 1 1 140 140 LEU H H 140 7.900 7.900 8.050 -0.150 18389 12594 1 14 . 1 1 141 141 ASP N N 141 132.200 132.200 129.376 2.824 18389 12595 1 14 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.714 -0.010 18389 12596 1 14 . 1 1 141 141 ASP C C 141 172.137 172.137 175.563 -3.426 18389 12597 1 14 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.009 -1.317 18389 12598 1 14 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.550 -2.989 18389 12599 1 14 . 1 1 141 141 ASP H H 141 9.101 9.101 8.426 0.675 18389 12600 1 14 . 1 1 142 142 LEU N N 142 122.667 122.667 125.468 -2.801 18389 12601 1 14 . 1 1 142 142 LEU HA H 142 3.740 3.740 4.265 -0.525 18389 12602 1 14 . 1 1 142 142 LEU CA C 142 53.747 53.747 53.611 0.136 18389 12603 1 14 . 1 1 142 142 LEU CB C 142 39.898 39.898 39.249 0.648 18389 12604 1 14 . 1 1 142 142 LEU H H 142 7.799 7.799 8.619 -0.820 18389 12605 1 14 . 1 1 143 143 ASP N N 143 112.789 112.789 118.733 -5.944 18389 12606 1 14 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.480 0.436 18389 12607 1 14 . 1 1 143 143 ASP C C 143 173.547 173.547 176.070 -2.523 18389 12608 1 14 . 1 1 143 143 ASP CA C 143 51.101 51.101 54.969 -3.868 18389 12609 1 14 . 1 1 143 143 ASP CB C 143 37.298 37.298 42.289 -4.991 18389 12610 1 14 . 1 1 143 143 ASP H H 143 8.473 8.473 7.830 0.643 18389 12611 1 14 . 1 1 144 144 ASN N N 144 120.743 120.743 118.279 2.464 18389 12612 1 14 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.926 0.153 18389 12613 1 14 . 1 1 144 144 ASN C C 144 171.278 171.278 173.326 -2.048 18389 12614 1 14 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.558 -3.084 18389 12615 1 14 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.350 -2.171 18389 12616 1 14 . 1 1 144 144 ASN H H 144 7.867 7.867 7.691 0.176 18389 12617 1 14 . 1 1 145 145 ILE N N 145 122.844 122.844 122.845 -0.001 18389 12618 1 14 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.424 -0.584 18389 12619 1 14 . 1 1 145 145 ILE C C 145 172.420 172.420 174.442 -2.022 18389 12620 1 14 . 1 1 145 145 ILE CA C 145 57.861 57.861 58.708 -0.847 18389 12621 1 14 . 1 1 145 145 ILE CB C 145 33.407 33.407 40.801 -7.394 18389 12622 1 14 . 1 1 145 145 ILE H H 145 8.770 8.770 8.253 0.517 18389 12623 1 14 . 1 1 146 146 ASP N N 146 125.428 125.428 124.424 1.004 18389 12624 1 14 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.724 -0.071 18389 12625 1 14 . 1 1 146 146 ASP C C 146 172.931 172.931 175.829 -2.898 18389 12626 1 14 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.691 -2.340 18389 12627 1 14 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.839 0.073 18389 12628 1 14 . 1 1 146 146 ASP H H 146 9.355 9.355 8.969 0.386 18389 12629 1 14 . 1 1 147 147 SER N N 147 108.442 108.442 111.015 -2.573 18389 12630 1 14 . 1 1 147 147 SER HA H 147 5.054 5.054 5.307 -0.253 18389 12631 1 14 . 1 1 147 147 SER C C 147 169.957 169.957 172.711 -2.754 18389 12632 1 14 . 1 1 147 147 SER CA C 147 54.584 54.584 57.471 -2.888 18389 12633 1 14 . 1 1 147 147 SER CB C 147 62.518 62.518 66.726 -4.208 18389 12634 1 14 . 1 1 147 147 SER H H 147 7.927 7.927 7.689 0.238 18389 12635 1 14 . 1 1 148 148 ILE N N 148 110.150 110.150 116.274 -6.124 18389 12636 1 14 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.157 0.492 18389 12637 1 14 . 1 1 148 148 ILE C C 148 171.932 171.932 174.603 -2.671 18389 12638 1 14 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.784 -3.162 18389 12639 1 14 . 1 1 148 148 ILE CB C 148 38.713 38.713 40.960 -2.247 18389 12640 1 14 . 1 1 148 148 ILE H H 148 8.043 8.043 8.895 -0.852 18389 12641 1 14 . 1 1 149 149 HIS N N 149 118.612 118.612 120.977 -2.365 18389 12642 1 14 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.467 1.023 18389 12643 1 14 . 1 1 149 149 HIS C C 149 174.287 174.287 174.072 0.215 18389 12644 1 14 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.375 -2.473 18389 12645 1 14 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.292 -1.333 18389 12646 1 14 . 1 1 149 149 HIS H H 149 9.331 9.331 8.756 0.575 18389 12647 1 14 . 1 1 150 150 PHE N N 150 117.037 117.037 119.671 -2.634 18389 12648 1 14 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.491 1.039 18389 12649 1 14 . 1 1 150 150 PHE C C 150 172.808 172.808 174.364 -1.556 18389 12650 1 14 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.453 -0.950 18389 12651 1 14 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.597 -1.317 18389 12652 1 14 . 1 1 150 150 PHE H H 150 8.788 8.788 8.171 0.617 18389 12653 1 14 . 1 1 151 151 MET N N 151 119.781 119.781 117.931 1.850 18389 12654 1 14 . 1 1 151 151 MET HA H 151 4.664 4.664 4.483 0.181 18389 12655 1 14 . 1 1 151 151 MET C C 151 170.282 170.282 173.260 -2.978 18389 12656 1 14 . 1 1 151 151 MET CA C 151 52.146 52.146 54.056 -1.910 18389 12657 1 14 . 1 1 151 151 MET CB C 151 34.947 34.947 37.239 -2.292 18389 12658 1 14 . 1 1 151 151 MET H H 151 9.761 9.761 8.249 1.512 18389 12659 1 14 . 1 1 152 152 TYR N N 152 117.149 117.149 119.119 -1.970 18389 12660 1 14 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.622 -0.546 18389 12661 1 14 . 1 1 152 152 TYR C C 152 171.554 171.554 174.871 -3.317 18389 12662 1 14 . 1 1 152 152 TYR CA C 152 55.345 55.345 58.004 -2.659 18389 12663 1 14 . 1 1 152 152 TYR CB C 152 36.904 36.904 40.399 -3.495 18389 12664 1 14 . 1 1 152 152 TYR H H 152 6.275 6.275 8.203 -1.928 18389 12665 1 14 . 1 1 153 153 ALA N N 153 121.523 121.523 123.773 -2.250 18389 12666 1 14 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.560 -0.397 18389 12667 1 14 . 1 1 153 153 ALA C C 153 173.777 173.777 175.728 -1.951 18389 12668 1 14 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.755 -2.570 18389 12669 1 14 . 1 1 153 153 ALA CB C 153 19.965 19.965 20.281 -0.316 18389 12670 1 14 . 1 1 153 153 ALA H H 153 10.019 10.019 8.837 1.182 18389 12671 1 14 . 1 1 154 154 ASN N N 154 114.643 114.643 116.596 -1.953 18389 12672 1 14 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.898 0.286 18389 12673 1 14 . 1 1 154 154 ASN C C 154 173.267 173.267 175.119 -1.852 18389 12674 1 14 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.816 -2.901 18389 12675 1 14 . 1 1 154 154 ASN CB C 154 36.713 36.713 41.148 -4.435 18389 12676 1 14 . 1 1 154 154 ASN H H 154 8.141 8.141 8.248 -0.107 18389 12677 1 14 . 1 1 156 156 LYS N N 156 119.099 119.099 120.989 -1.890 18389 12678 1 14 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.155 0.583 18389 12679 1 14 . 1 1 156 156 LYS C C 156 173.965 173.965 176.079 -2.114 18389 12680 1 14 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.598 -2.726 18389 12681 1 14 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.641 -3.215 18389 12682 1 14 . 1 1 156 156 LYS H H 156 8.298 8.298 7.829 0.469 18389 12683 1 14 . 1 1 157 157 SER N N 157 115.584 115.584 114.135 1.449 18389 12684 1 14 . 1 1 157 157 SER HA H 157 5.055 5.055 3.505 1.550 18389 12685 1 14 . 1 1 157 157 SER C C 157 169.925 169.925 173.512 -3.587 18389 12686 1 14 . 1 1 157 157 SER CA C 157 55.617 55.617 58.289 -2.672 18389 12687 1 14 . 1 1 157 157 SER CB C 157 63.180 63.180 64.355 -1.175 18389 12688 1 14 . 1 1 157 157 SER H H 157 8.240 8.240 8.271 -0.031 18389 12689 1 14 . 1 1 158 158 GLY N N 158 108.219 108.219 106.156 2.063 18389 12690 1 14 . 1 1 158 158 GLY C C 158 168.322 168.322 171.646 -3.324 18389 12691 1 14 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.501 -1.935 18389 12692 1 14 . 1 1 158 158 GLY H H 158 6.942 6.942 7.523 -0.581 18389 12693 1 14 . 1 1 159 159 LYS N N 159 116.608 116.608 120.174 -3.566 18389 12694 1 14 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.598 -0.077 18389 12695 1 14 . 1 1 159 159 LYS C C 159 172.966 172.966 175.175 -2.209 18389 12696 1 14 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.773 -1.632 18389 12697 1 14 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.669 -1.964 18389 12698 1 14 . 1 1 159 159 LYS H H 159 7.925 7.925 8.553 -0.628 18389 12699 1 14 . 1 1 160 160 PHE N N 160 121.804 121.804 117.987 3.817 18389 12700 1 14 . 1 1 160 160 PHE HA H 160 5.525 5.525 4.975 0.550 18389 12701 1 14 . 1 1 160 160 PHE C C 160 168.125 168.125 173.031 -4.906 18389 12702 1 14 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.935 -3.620 18389 12703 1 14 . 1 1 160 160 PHE CB C 160 39.051 39.051 41.493 -2.442 18389 12704 1 14 . 1 1 160 160 PHE H H 160 8.834 8.834 8.653 0.181 18389 12705 1 14 . 1 1 161 161 VAL N N 161 119.787 119.787 119.459 0.328 18389 12706 1 14 . 1 1 161 161 VAL HA H 161 5.378 5.378 4.988 0.390 18389 12707 1 14 . 1 1 161 161 VAL C C 161 170.736 170.736 175.265 -4.529 18389 12708 1 14 . 1 1 161 161 VAL CA C 161 56.656 56.656 61.025 -4.369 18389 12709 1 14 . 1 1 161 161 VAL CB C 161 31.937 31.937 33.474 -1.537 18389 12710 1 14 . 1 1 161 161 VAL H H 161 9.277 9.277 8.754 0.523 18389 12711 1 14 . 1 1 162 162 VAL N N 162 121.357 121.357 123.518 -2.161 18389 12712 1 14 . 1 1 162 162 VAL HA H 162 5.967 5.967 4.994 0.973 18389 12713 1 14 . 1 1 162 162 VAL C C 162 170.928 170.928 174.415 -3.487 18389 12714 1 14 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.823 -4.137 18389 12715 1 14 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.059 -1.218 18389 12716 1 14 . 1 1 162 162 VAL H H 162 8.453 8.453 8.755 -0.302 18389 12717 1 14 . 1 1 163 163 ASP N N 163 119.088 119.088 123.052 -3.964 18389 12718 1 14 . 1 1 163 163 ASP HA H 163 5.579 5.579 4.542 1.037 18389 12719 1 14 . 1 1 163 163 ASP C C 163 172.563 172.563 174.441 -1.878 18389 12720 1 14 . 1 1 163 163 ASP CA C 163 49.482 49.482 53.224 -3.742 18389 12721 1 14 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.726 -2.263 18389 12722 1 14 . 1 1 163 163 ASP H H 163 9.233 9.233 8.240 0.993 18389 12723 1 14 . 1 1 164 164 ASN N N 164 117.316 117.316 118.104 -0.788 18389 12724 1 14 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.585 0.064 18389 12725 1 14 . 1 1 164 164 ASN C C 164 170.940 170.940 174.987 -4.047 18389 12726 1 14 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.204 -1.532 18389 12727 1 14 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.852 -2.457 18389 12728 1 14 . 1 1 164 164 ASN H H 164 9.864 9.864 8.941 0.923 18389 12729 1 14 . 1 1 165 165 ILE N N 165 118.660 118.660 121.138 -2.478 18389 12730 1 14 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.486 0.953 18389 12731 1 14 . 1 1 165 165 ILE C C 165 173.336 173.336 175.417 -2.081 18389 12732 1 14 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.352 -3.197 18389 12733 1 14 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.508 -2.321 18389 12734 1 14 . 1 1 165 165 ILE H H 165 8.716 8.716 8.673 0.043 18389 12735 1 14 . 1 1 166 166 LYS N N 166 127.896 127.896 126.195 1.701 18389 12736 1 14 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.122 0.056 18389 12737 1 14 . 1 1 166 166 LYS C C 166 170.453 170.453 174.925 -4.472 18389 12738 1 14 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.990 -1.466 18389 12739 1 14 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.308 -1.062 18389 12740 1 14 . 1 1 166 166 LYS H H 166 9.921 9.921 9.000 0.921 18389 12741 1 14 . 1 1 167 167 LEU N N 167 120.747 120.747 121.595 -0.848 18389 12742 1 14 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.922 -0.086 18389 12743 1 14 . 1 1 167 167 LEU C C 167 173.703 173.703 175.745 -2.042 18389 12744 1 14 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.278 -2.699 18389 12745 1 14 . 1 1 167 167 LEU CB C 167 40.711 40.711 42.737 -2.026 18389 12746 1 14 . 1 1 167 167 LEU H H 167 8.552 8.552 8.675 -0.123 18389 12747 1 14 . 1 1 168 168 ILE N N 168 116.914 116.914 120.637 -3.723 18389 12748 1 14 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.805 0.184 18389 12749 1 14 . 1 1 168 168 ILE C C 168 173.923 173.923 175.345 -1.422 18389 12750 1 14 . 1 1 168 168 ILE CA C 168 57.376 57.376 59.801 -2.425 18389 12751 1 14 . 1 1 168 168 ILE CB C 168 38.938 38.938 41.646 -2.708 18389 12752 1 14 . 1 1 168 168 ILE H H 168 8.523 8.523 8.962 -0.439 18389 12753 1 14 . 1 1 169 169 GLY N N 169 114.527 114.527 113.623 0.904 18389 12754 1 14 . 1 1 169 169 GLY C C 169 169.252 169.252 172.638 -3.386 18389 12755 1 14 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.492 -1.567 18389 12756 1 14 . 1 1 169 169 GLY H H 169 8.942 8.942 8.777 0.165 18389 12757 1 14 . 1 1 170 170 ALA N N 170 123.678 123.678 120.928 2.750 18389 12758 1 14 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.575 -0.151 18389 12759 1 14 . 1 1 170 170 ALA C C 170 174.985 174.985 176.419 -1.434 18389 12760 1 14 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.851 -2.507 18389 12761 1 14 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.653 -3.566 18389 12762 1 14 . 1 1 170 170 ALA H H 170 8.321 8.321 8.219 0.102 18389 12763 1 14 . 1 1 171 171 LEU N N 171 122.139 122.139 116.146 5.993 18389 12764 1 14 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.843 -0.438 18389 12765 1 14 . 1 1 171 171 LEU C C 171 174.478 174.478 175.726 -1.248 18389 12766 1 14 . 1 1 171 171 LEU CA C 171 52.634 52.634 55.197 -2.562 18389 12767 1 14 . 1 1 171 171 LEU CB C 171 40.111 40.111 42.728 -2.617 18389 12768 1 14 . 1 1 171 171 LEU H H 171 8.182 8.182 8.219 -0.037 18389 12769 1 15 . 1 1 2 2 ALA N N 2 119.048 119.048 123.700 -4.652 18389 12770 1 15 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.677 -0.393 18389 12771 1 15 . 1 1 2 2 ALA C C 2 174.144 174.144 176.556 -2.412 18389 12772 1 15 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.479 -3.096 18389 12773 1 15 . 1 1 2 2 ALA CB C 2 19.829 19.829 20.071 -0.242 18389 12774 1 15 . 1 1 2 2 ALA H H 2 9.577 9.577 7.890 1.687 18389 12775 1 15 . 1 1 3 3 SER N N 3 114.278 114.278 114.873 -0.595 18389 12776 1 15 . 1 1 3 3 SER C C 3 173.040 173.040 174.799 -1.759 18389 12777 1 15 . 1 1 3 3 SER H H 3 8.152 8.152 8.541 -0.389 18389 12778 1 15 . 1 1 6 6 GLY N N 6 112.362 112.362 109.321 3.041 18389 12779 1 15 . 1 1 6 6 GLY C C 6 170.686 170.686 173.644 -2.958 18389 12780 1 15 . 1 1 6 6 GLY CA C 6 43.313 43.313 44.365 -1.052 18389 12781 1 15 . 1 1 6 6 GLY H H 6 8.750 8.750 8.591 0.159 18389 12782 1 15 . 1 1 7 7 GLU N N 7 117.722 117.722 120.469 -2.747 18389 12783 1 15 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.488 0.941 18389 12784 1 15 . 1 1 7 7 GLU C C 7 172.744 172.744 176.029 -3.285 18389 12785 1 15 . 1 1 7 7 GLU CA C 7 52.248 52.248 56.089 -3.841 18389 12786 1 15 . 1 1 7 7 GLU CB C 7 31.170 31.170 29.647 1.523 18389 12787 1 15 . 1 1 7 7 GLU H H 7 8.078 8.078 7.642 0.436 18389 12788 1 15 . 1 1 8 8 LYS N N 8 122.832 122.832 126.382 -3.550 18389 12789 1 15 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.608 -0.069 18389 12790 1 15 . 1 1 8 8 LYS C C 8 171.963 171.963 175.039 -3.076 18389 12791 1 15 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.788 -2.223 18389 12792 1 15 . 1 1 8 8 LYS CB C 8 33.185 33.185 35.297 -2.112 18389 12793 1 15 . 1 1 8 8 LYS H H 8 8.434 8.434 8.834 -0.400 18389 12794 1 15 . 1 1 9 9 MET N N 9 128.562 128.562 124.917 3.645 18389 12795 1 15 . 1 1 9 9 MET HA H 9 4.536 4.536 4.355 0.181 18389 12796 1 15 . 1 1 9 9 MET C C 9 172.911 172.911 175.909 -2.998 18389 12797 1 15 . 1 1 9 9 MET CA C 9 53.012 53.012 55.421 -2.409 18389 12798 1 15 . 1 1 9 9 MET CB C 9 28.376 28.376 32.683 -4.307 18389 12799 1 15 . 1 1 9 9 MET H H 9 8.984 8.984 8.813 0.171 18389 12800 1 15 . 1 1 10 10 LEU N N 10 129.881 129.881 128.222 1.659 18389 12801 1 15 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.504 0.160 18389 12802 1 15 . 1 1 10 10 LEU C C 10 174.887 174.887 177.101 -2.214 18389 12803 1 15 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.638 -2.425 18389 12804 1 15 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.101 -2.702 18389 12805 1 15 . 1 1 10 10 LEU H H 10 9.751 9.751 8.986 0.765 18389 12806 1 15 . 1 1 11 11 ASP N N 11 115.516 115.516 117.308 -1.792 18389 12807 1 15 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.764 -0.041 18389 12808 1 15 . 1 1 11 11 ASP C C 11 170.836 170.836 174.009 -3.173 18389 12809 1 15 . 1 1 11 11 ASP CA C 11 53.583 53.583 54.099 -0.516 18389 12810 1 15 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.826 -3.607 18389 12811 1 15 . 1 1 11 11 ASP H H 11 8.110 8.110 7.958 0.152 18389 12812 1 15 . 1 1 12 12 ASP N N 12 124.144 124.144 124.824 -0.680 18389 12813 1 15 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.898 -0.047 18389 12814 1 15 . 1 1 12 12 ASP C C 12 175.055 175.055 175.684 -0.629 18389 12815 1 15 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.301 -1.991 18389 12816 1 15 . 1 1 12 12 ASP CB C 12 38.195 38.195 40.897 -2.702 18389 12817 1 15 . 1 1 12 12 ASP H H 12 8.053 8.053 8.575 -0.522 18389 12818 1 15 . 1 1 13 13 PHE N N 13 117.584 117.584 115.276 2.308 18389 12819 1 15 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.267 0.005 18389 12820 1 15 . 1 1 13 13 PHE C C 13 171.960 171.960 175.442 -3.482 18389 12821 1 15 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.264 -0.351 18389 12822 1 15 . 1 1 13 13 PHE CB C 13 32.175 32.175 37.013 -4.838 18389 12823 1 15 . 1 1 13 13 PHE H H 13 9.327 9.327 8.230 1.097 18389 12824 1 15 . 1 1 14 14 GLU N N 14 113.122 113.122 118.633 -5.511 18389 12825 1 15 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.250 0.799 18389 12826 1 15 . 1 1 14 14 GLU C C 14 175.300 175.300 177.434 -2.134 18389 12827 1 15 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.536 -5.555 18389 12828 1 15 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.296 -4.302 18389 12829 1 15 . 1 1 14 14 GLU H H 14 8.165 8.165 8.378 -0.213 18389 12830 1 15 . 1 1 15 15 GLY N N 15 110.108 110.108 108.980 1.128 18389 12831 1 15 . 1 1 15 15 GLY C C 15 171.609 171.609 174.412 -2.803 18389 12832 1 15 . 1 1 15 15 GLY CA C 15 41.854 41.854 45.061 -3.207 18389 12833 1 15 . 1 1 15 15 GLY H H 15 8.117 8.117 8.108 0.009 18389 12834 1 15 . 1 1 16 16 VAL N N 16 121.792 121.792 120.504 1.288 18389 12835 1 15 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.237 0.034 18389 12836 1 15 . 1 1 16 16 VAL C C 16 173.203 173.203 175.449 -2.246 18389 12837 1 15 . 1 1 16 16 VAL CA C 16 59.283 59.283 61.607 -2.324 18389 12838 1 15 . 1 1 16 16 VAL CB C 16 30.201 30.201 34.144 -3.943 18389 12839 1 15 . 1 1 16 16 VAL H H 16 8.190 8.190 7.967 0.223 18389 12840 1 15 . 1 1 17 17 LEU N N 17 124.682 124.682 124.393 0.289 18389 12841 1 15 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.397 0.501 18389 12842 1 15 . 1 1 17 17 LEU C C 17 174.685 174.685 176.505 -1.820 18389 12843 1 15 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.972 -3.174 18389 12844 1 15 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.814 -3.678 18389 12845 1 15 . 1 1 17 17 LEU H H 17 8.500 8.500 8.445 0.055 18389 12846 1 15 . 1 1 18 18 ASN N N 18 127.589 127.589 121.712 5.877 18389 12847 1 15 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.480 0.667 18389 12848 1 15 . 1 1 18 18 ASN C C 18 171.583 171.583 173.446 -1.863 18389 12849 1 15 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.218 -1.241 18389 12850 1 15 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.865 -1.722 18389 12851 1 15 . 1 1 18 18 ASN H H 18 9.956 9.956 7.954 2.002 18389 12852 1 15 . 1 1 19 19 TRP N N 19 119.913 119.913 118.521 1.392 18389 12853 1 15 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.205 -0.147 18389 12854 1 15 . 1 1 19 19 TRP C C 19 174.918 174.918 177.177 -2.259 18389 12855 1 15 . 1 1 19 19 TRP CA C 19 55.376 55.376 54.869 0.507 18389 12856 1 15 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.539 -4.139 18389 12857 1 15 . 1 1 19 19 TRP H H 19 7.057 7.057 7.189 -0.132 18389 12858 1 15 . 1 1 20 20 GLY N N 20 112.934 112.934 109.901 3.033 18389 12859 1 15 . 1 1 20 20 GLY C C 20 171.436 171.436 173.423 -1.987 18389 12860 1 15 . 1 1 20 20 GLY CA C 20 40.940 40.940 45.691 -4.751 18389 12861 1 15 . 1 1 20 20 GLY H H 20 9.622 9.622 9.094 0.528 18389 12862 1 15 . 1 1 21 21 SER N N 21 114.752 114.752 116.304 -1.552 18389 12863 1 15 . 1 1 21 21 SER HA H 21 5.686 5.686 5.102 0.584 18389 12864 1 15 . 1 1 21 21 SER C C 21 170.314 170.314 173.422 -3.108 18389 12865 1 15 . 1 1 21 21 SER CA C 21 55.911 55.911 57.735 -1.824 18389 12866 1 15 . 1 1 21 21 SER CB C 21 64.070 64.070 66.005 -1.935 18389 12867 1 15 . 1 1 21 21 SER H H 21 8.899 8.899 8.485 0.414 18389 12868 1 15 . 1 1 22 22 TYR N N 22 118.001 118.001 120.964 -2.963 18389 12869 1 15 . 1 1 22 22 TYR HA H 22 5.300 5.300 5.002 0.298 18389 12870 1 15 . 1 1 22 22 TYR C C 22 170.760 170.760 172.974 -2.214 18389 12871 1 15 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.250 -3.600 18389 12872 1 15 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.187 -2.363 18389 12873 1 15 . 1 1 22 22 TYR H H 22 8.807 8.807 8.084 0.723 18389 12874 1 15 . 1 1 23 23 SER N N 23 109.826 109.826 115.182 -5.356 18389 12875 1 15 . 1 1 23 23 SER HA H 23 4.912 4.912 4.939 -0.027 18389 12876 1 15 . 1 1 23 23 SER C C 23 169.918 169.918 173.256 -3.338 18389 12877 1 15 . 1 1 23 23 SER CA C 23 55.664 55.664 57.697 -2.033 18389 12878 1 15 . 1 1 23 23 SER CB C 23 62.361 62.361 67.074 -4.713 18389 12879 1 15 . 1 1 23 23 SER H H 23 8.435 8.435 8.450 -0.015 18389 12880 1 15 . 1 1 24 24 GLY N N 24 103.788 103.788 107.587 -3.799 18389 12881 1 15 . 1 1 24 24 GLY C C 24 170.240 170.240 173.468 -3.228 18389 12882 1 15 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.901 -3.134 18389 12883 1 15 . 1 1 24 24 GLY H H 24 7.339 7.339 7.963 -0.624 18389 12884 1 15 . 1 1 25 25 GLU N N 25 116.420 116.420 120.499 -4.079 18389 12885 1 15 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.533 -0.424 18389 12886 1 15 . 1 1 25 25 GLU C C 25 173.683 173.683 175.793 -2.110 18389 12887 1 15 . 1 1 25 25 GLU CA C 25 53.687 53.687 55.594 -1.907 18389 12888 1 15 . 1 1 25 25 GLU CB C 25 25.146 25.146 30.025 -4.879 18389 12889 1 15 . 1 1 25 25 GLU H H 25 8.962 8.962 7.567 1.395 18389 12890 1 15 . 1 1 26 26 GLY N N 26 106.660 106.660 108.696 -2.036 18389 12891 1 15 . 1 1 26 26 GLY C C 26 171.638 171.638 173.637 -1.999 18389 12892 1 15 . 1 1 26 26 GLY CA C 26 43.173 43.173 45.799 -2.626 18389 12893 1 15 . 1 1 26 26 GLY H H 26 8.483 8.483 8.365 0.118 18389 12894 1 15 . 1 1 27 27 ALA N N 27 123.407 123.407 122.562 0.845 18389 12895 1 15 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.318 0.329 18389 12896 1 15 . 1 1 27 27 ALA C C 27 174.232 174.232 175.291 -1.059 18389 12897 1 15 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.494 -1.931 18389 12898 1 15 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.927 -3.389 18389 12899 1 15 . 1 1 27 27 ALA H H 27 7.182 7.182 7.764 -0.582 18389 12900 1 15 . 1 1 28 28 LYS N N 28 117.590 117.590 119.626 -2.036 18389 12901 1 15 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.583 0.309 18389 12902 1 15 . 1 1 28 28 LYS C C 28 171.365 171.365 174.669 -3.304 18389 12903 1 15 . 1 1 28 28 LYS CA C 28 52.419 52.419 56.105 -3.686 18389 12904 1 15 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.135 -1.591 18389 12905 1 15 . 1 1 28 28 LYS H H 28 8.650 8.650 8.647 0.003 18389 12906 1 15 . 1 1 29 29 VAL N N 29 118.148 118.148 125.556 -7.408 18389 12907 1 15 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.933 0.308 18389 12908 1 15 . 1 1 29 29 VAL C C 29 169.809 169.809 175.383 -5.574 18389 12909 1 15 . 1 1 29 29 VAL CA C 29 57.083 57.083 61.105 -4.022 18389 12910 1 15 . 1 1 29 29 VAL CB C 29 31.475 31.475 33.805 -2.330 18389 12911 1 15 . 1 1 29 29 VAL H H 29 8.327 8.327 8.671 -0.344 18389 12912 1 15 . 1 1 30 30 SER N N 30 120.964 120.964 120.754 0.210 18389 12913 1 15 . 1 1 30 30 SER HA H 30 4.993 4.993 4.946 0.047 18389 12914 1 15 . 1 1 30 30 SER C C 30 170.354 170.354 172.643 -2.289 18389 12915 1 15 . 1 1 30 30 SER CA C 30 54.438 54.438 56.885 -2.447 18389 12916 1 15 . 1 1 30 30 SER CB C 30 63.262 63.262 65.255 -1.994 18389 12917 1 15 . 1 1 30 30 SER H H 30 8.797 8.797 9.310 -0.513 18389 12918 1 15 . 1 1 31 31 THR N N 31 112.970 112.970 115.993 -3.023 18389 12919 1 15 . 1 1 31 31 THR HA H 31 5.618 5.618 5.529 0.089 18389 12920 1 15 . 1 1 31 31 THR C C 31 171.857 171.857 174.185 -2.328 18389 12921 1 15 . 1 1 31 31 THR CA C 31 56.212 56.212 60.228 -4.016 18389 12922 1 15 . 1 1 31 31 THR CB C 31 69.719 69.719 70.962 -1.243 18389 12923 1 15 . 1 1 31 31 THR H H 31 8.384 8.384 8.257 0.127 18389 12924 1 15 . 1 1 32 32 LYS N N 32 119.710 119.710 122.995 -3.285 18389 12925 1 15 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.761 -0.035 18389 12926 1 15 . 1 1 32 32 LYS C C 32 171.734 171.734 174.893 -3.159 18389 12927 1 15 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.754 -1.781 18389 12928 1 15 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.668 -2.574 18389 12929 1 15 . 1 1 32 32 LYS H H 32 8.530 8.530 8.956 -0.426 18389 12930 1 15 . 1 1 33 33 ILE N N 33 124.276 124.276 122.064 2.212 18389 12931 1 15 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.780 0.194 18389 12932 1 15 . 1 1 33 33 ILE C C 33 173.578 173.578 175.905 -2.327 18389 12933 1 15 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.588 -3.149 18389 12934 1 15 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.742 -5.279 18389 12935 1 15 . 1 1 33 33 ILE H H 33 8.669 8.669 8.434 0.235 18389 12936 1 15 . 1 1 34 34 VAL N N 34 121.698 121.698 123.701 -2.003 18389 12937 1 15 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.612 0.255 18389 12938 1 15 . 1 1 34 34 VAL C C 34 172.702 172.702 174.847 -2.145 18389 12939 1 15 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.529 -2.870 18389 12940 1 15 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.359 -0.450 18389 12941 1 15 . 1 1 34 34 VAL H H 34 8.463 8.463 8.860 -0.397 18389 12942 1 15 . 1 1 35 35 SER N N 35 115.704 115.704 115.439 0.265 18389 12943 1 15 . 1 1 35 35 SER HA H 35 4.590 4.590 4.637 -0.047 18389 12944 1 15 . 1 1 35 35 SER CA C 35 58.345 58.345 58.066 0.279 18389 12945 1 15 . 1 1 35 35 SER CB C 35 60.619 60.619 64.072 -3.453 18389 12946 1 15 . 1 1 35 35 SER H H 35 8.271 8.271 8.282 -0.011 18389 12947 1 15 . 1 1 36 36 GLY N N 36 113.970 113.970 108.958 5.012 18389 12948 1 15 . 1 1 36 36 GLY C C 36 170.257 170.257 173.127 -2.870 18389 12949 1 15 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.320 -3.622 18389 12950 1 15 . 1 1 36 36 GLY H H 36 9.267 9.267 7.888 1.379 18389 12951 1 15 . 1 1 37 37 LYS N N 37 129.227 129.227 119.415 9.812 18389 12952 1 15 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.038 -0.683 18389 12953 1 15 . 1 1 37 37 LYS C C 37 174.912 174.912 176.721 -1.809 18389 12954 1 15 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.588 -2.033 18389 12955 1 15 . 1 1 37 37 LYS CB C 37 29.409 29.409 33.635 -4.226 18389 12956 1 15 . 1 1 37 37 LYS H H 37 8.484 8.484 8.396 0.088 18389 12957 1 15 . 1 1 38 38 THR N N 38 109.924 109.924 110.465 -0.541 18389 12958 1 15 . 1 1 38 38 THR HA H 38 4.398 4.398 4.423 -0.025 18389 12959 1 15 . 1 1 38 38 THR C C 38 171.818 171.818 174.039 -2.221 18389 12960 1 15 . 1 1 38 38 THR CA C 38 57.223 57.223 61.614 -4.391 18389 12961 1 15 . 1 1 38 38 THR CB C 38 67.805 67.805 70.697 -2.892 18389 12962 1 15 . 1 1 38 38 THR H H 38 7.549 7.549 8.126 -0.577 18389 12963 1 15 . 1 1 40 40 ASN N N 40 129.674 129.674 122.575 7.099 18389 12964 1 15 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.111 0.412 18389 12965 1 15 . 1 1 40 40 ASN C C 40 173.717 173.717 175.115 -1.398 18389 12966 1 15 . 1 1 40 40 ASN CA C 40 50.322 50.322 51.583 -1.261 18389 12967 1 15 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.944 -2.756 18389 12968 1 15 . 1 1 40 40 ASN H H 40 10.958 10.958 8.813 2.145 18389 12969 1 15 . 1 1 41 41 GLY N N 41 111.261 111.261 105.375 5.886 18389 12970 1 15 . 1 1 41 41 GLY C C 41 166.652 166.652 172.101 -5.449 18389 12971 1 15 . 1 1 41 41 GLY CA C 41 41.711 41.711 44.138 -2.427 18389 12972 1 15 . 1 1 41 41 GLY H H 41 9.674 9.674 8.494 1.180 18389 12973 1 15 . 1 1 42 42 MET N N 42 119.165 119.165 119.494 -0.329 18389 12974 1 15 . 1 1 42 42 MET HA H 42 4.849 4.849 5.118 -0.269 18389 12975 1 15 . 1 1 42 42 MET C C 42 171.154 171.154 173.819 -2.665 18389 12976 1 15 . 1 1 42 42 MET CA C 42 51.503 51.503 53.780 -2.277 18389 12977 1 15 . 1 1 42 42 MET CB C 42 33.293 33.293 36.688 -3.396 18389 12978 1 15 . 1 1 42 42 MET H H 42 7.550 7.550 8.849 -1.299 18389 12979 1 15 . 1 1 43 43 GLU N N 43 128.221 128.221 126.299 1.922 18389 12980 1 15 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.253 -0.388 18389 12981 1 15 . 1 1 43 43 GLU C C 43 172.612 172.612 174.655 -2.043 18389 12982 1 15 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.305 -2.626 18389 12983 1 15 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.172 -2.776 18389 12984 1 15 . 1 1 43 43 GLU H H 43 9.355 9.355 8.930 0.425 18389 12985 1 15 . 1 1 44 44 VAL N N 44 131.011 131.011 126.316 4.695 18389 12986 1 15 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.972 -0.610 18389 12987 1 15 . 1 1 44 44 VAL C C 44 171.752 171.752 173.655 -1.903 18389 12988 1 15 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.973 -1.638 18389 12989 1 15 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.413 -5.463 18389 12990 1 15 . 1 1 44 44 VAL H H 44 9.002 9.002 9.032 -0.030 18389 12991 1 15 . 1 1 45 45 SER N N 45 120.764 120.764 123.306 -2.542 18389 12992 1 15 . 1 1 45 45 SER HA H 45 4.975 4.975 5.630 -0.655 18389 12993 1 15 . 1 1 45 45 SER C C 45 170.500 170.500 172.702 -2.202 18389 12994 1 15 . 1 1 45 45 SER CA C 45 53.547 53.547 55.824 -2.277 18389 12995 1 15 . 1 1 45 45 SER CB C 45 61.650 61.650 65.508 -3.858 18389 12996 1 15 . 1 1 45 45 SER H H 45 8.511 8.511 9.167 -0.656 18389 12997 1 15 . 1 1 46 46 TYR N N 46 123.478 123.478 122.575 0.903 18389 12998 1 15 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.514 -0.239 18389 12999 1 15 . 1 1 46 46 TYR C C 46 171.644 171.644 173.846 -2.202 18389 13000 1 15 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.522 -3.287 18389 13001 1 15 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.218 -3.753 18389 13002 1 15 . 1 1 46 46 TYR H H 46 8.511 8.511 9.168 -0.657 18389 13003 1 15 . 1 1 47 47 THR N N 47 118.641 118.641 119.656 -1.015 18389 13004 1 15 . 1 1 47 47 THR HA H 47 4.793 4.793 4.137 0.656 18389 13005 1 15 . 1 1 47 47 THR C C 47 171.614 171.614 174.114 -2.500 18389 13006 1 15 . 1 1 47 47 THR CA C 47 58.267 58.267 62.737 -4.470 18389 13007 1 15 . 1 1 47 47 THR CB C 47 68.820 68.820 69.154 -0.334 18389 13008 1 15 . 1 1 47 47 THR H H 47 8.935 8.935 8.363 0.572 18389 13009 1 15 . 1 1 48 48 GLY N N 48 112.467 112.467 111.589 0.878 18389 13010 1 15 . 1 1 48 48 GLY C C 48 170.521 170.521 171.855 -1.334 18389 13011 1 15 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.373 -1.297 18389 13012 1 15 . 1 1 48 48 GLY H H 48 7.723 7.723 7.619 0.104 18389 13013 1 15 . 1 1 49 49 THR N N 49 106.823 106.823 110.984 -4.161 18389 13014 1 15 . 1 1 49 49 THR HA H 49 4.913 4.913 4.525 0.388 18389 13015 1 15 . 1 1 49 49 THR C C 49 172.529 172.529 174.751 -2.222 18389 13016 1 15 . 1 1 49 49 THR CA C 49 57.385 57.385 59.527 -2.142 18389 13017 1 15 . 1 1 49 49 THR CB C 49 69.609 69.609 72.021 -2.412 18389 13018 1 15 . 1 1 49 49 THR H H 49 8.019 8.019 7.034 0.985 18389 13019 1 15 . 1 1 51 51 ASP N N 51 118.095 118.095 117.557 0.538 18389 13020 1 15 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.887 0.117 18389 13021 1 15 . 1 1 51 51 ASP C C 51 172.913 172.913 176.029 -3.116 18389 13022 1 15 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.956 -1.711 18389 13023 1 15 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.522 -2.752 18389 13024 1 15 . 1 1 51 51 ASP H H 51 8.613 8.613 8.105 0.508 18389 13025 1 15 . 1 1 52 52 GLY N N 52 107.075 107.075 107.860 -0.785 18389 13026 1 15 . 1 1 52 52 GLY C C 52 169.748 169.748 173.296 -3.548 18389 13027 1 15 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.897 -1.991 18389 13028 1 15 . 1 1 52 52 GLY H H 52 7.651 7.651 8.456 -0.805 18389 13029 1 15 . 1 1 53 53 TYR N N 53 112.556 112.556 114.383 -1.827 18389 13030 1 15 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.452 -0.831 18389 13031 1 15 . 1 1 53 53 TYR C C 53 169.219 169.219 173.214 -3.995 18389 13032 1 15 . 1 1 53 53 TYR CA C 53 52.106 52.106 55.799 -3.693 18389 13033 1 15 . 1 1 53 53 TYR CB C 53 39.030 39.030 39.680 -0.650 18389 13034 1 15 . 1 1 53 53 TYR H H 53 6.918 6.918 8.160 -1.242 18389 13035 1 15 . 1 1 54 54 TRP N N 54 112.748 112.748 119.489 -6.741 18389 13036 1 15 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.782 -0.403 18389 13037 1 15 . 1 1 54 54 TRP C C 54 171.085 171.085 175.284 -4.199 18389 13038 1 15 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.198 -2.938 18389 13039 1 15 . 1 1 54 54 TRP CB C 54 29.975 29.975 31.721 -1.746 18389 13040 1 15 . 1 1 54 54 TRP H H 54 6.406 6.406 7.645 -1.239 18389 13041 1 15 . 1 1 55 55 GLY N N 55 108.552 108.552 106.397 2.155 18389 13042 1 15 . 1 1 55 55 GLY C C 55 168.023 168.023 172.358 -4.335 18389 13043 1 15 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.434 -1.986 18389 13044 1 15 . 1 1 55 55 GLY H H 55 8.689 8.689 8.007 0.682 18389 13045 1 15 . 1 1 56 56 THR N N 56 113.376 113.376 116.296 -2.920 18389 13046 1 15 . 1 1 56 56 THR HA H 56 5.868 5.868 4.617 1.251 18389 13047 1 15 . 1 1 56 56 THR C C 56 170.376 170.376 173.123 -2.747 18389 13048 1 15 . 1 1 56 56 THR CA C 56 57.238 57.238 62.029 -4.790 18389 13049 1 15 . 1 1 56 56 THR CB C 56 69.053 69.053 72.293 -3.240 18389 13050 1 15 . 1 1 56 56 THR H H 56 9.518 9.518 8.324 1.194 18389 13051 1 15 . 1 1 57 57 VAL N N 57 123.361 123.361 124.166 -0.805 18389 13052 1 15 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.458 0.995 18389 13053 1 15 . 1 1 57 57 VAL C C 57 169.082 169.082 174.027 -4.945 18389 13054 1 15 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.244 -5.195 18389 13055 1 15 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.904 -2.557 18389 13056 1 15 . 1 1 57 57 VAL H H 57 8.956 8.956 8.244 0.712 18389 13057 1 15 . 1 1 58 58 TYR N N 58 131.224 131.224 126.715 4.509 18389 13058 1 15 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.346 -0.770 18389 13059 1 15 . 1 1 58 58 TYR C C 58 172.050 172.050 173.419 -1.369 18389 13060 1 15 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.933 -5.351 18389 13061 1 15 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.816 -6.855 18389 13062 1 15 . 1 1 58 58 TYR H H 58 8.641 8.641 8.260 0.381 18389 13063 1 15 . 1 1 59 59 SER N N 59 123.126 123.126 124.130 -1.004 18389 13064 1 15 . 1 1 59 59 SER HA H 59 4.304 4.304 5.041 -0.737 18389 13065 1 15 . 1 1 59 59 SER C C 59 170.891 170.891 174.371 -3.480 18389 13066 1 15 . 1 1 59 59 SER CA C 59 55.452 55.452 56.541 -1.089 18389 13067 1 15 . 1 1 59 59 SER CB C 59 60.048 60.048 63.922 -3.874 18389 13068 1 15 . 1 1 59 59 SER H H 59 8.217 8.217 8.881 -0.664 18389 13069 1 15 . 1 1 60 60 LEU N N 60 126.809 126.809 130.924 -4.115 18389 13070 1 15 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.779 -0.526 18389 13071 1 15 . 1 1 60 60 LEU C C 60 173.994 173.994 175.912 -1.918 18389 13072 1 15 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.882 -3.832 18389 13073 1 15 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.181 -2.824 18389 13074 1 15 . 1 1 60 60 LEU H H 60 7.838 7.838 8.070 -0.232 18389 13075 1 15 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.366 0.207 18389 13076 1 15 . 1 1 61 61 PRO C C 61 173.514 173.514 176.499 -2.985 18389 13077 1 15 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.297 -3.045 18389 13078 1 15 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.130 -2.815 18389 13079 1 15 . 1 1 62 62 ASP N N 62 115.943 115.943 118.025 -2.082 18389 13080 1 15 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.888 -0.048 18389 13081 1 15 . 1 1 62 62 ASP C C 62 172.949 172.949 176.001 -3.052 18389 13082 1 15 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.948 -3.242 18389 13083 1 15 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.847 -2.816 18389 13084 1 15 . 1 1 62 62 ASP H H 62 7.018 7.018 8.310 -1.292 18389 13085 1 15 . 1 1 63 63 GLY N N 63 112.680 112.680 108.439 4.241 18389 13086 1 15 . 1 1 63 63 GLY C C 63 170.273 170.273 172.152 -1.879 18389 13087 1 15 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.489 -1.488 18389 13088 1 15 . 1 1 63 63 GLY H H 63 8.417 8.417 8.673 -0.256 18389 13089 1 15 . 1 1 64 64 ASP N N 64 115.221 115.221 117.693 -2.472 18389 13090 1 15 . 1 1 64 64 ASP HA H 64 5.293 5.293 5.137 0.156 18389 13091 1 15 . 1 1 64 64 ASP C C 64 174.354 174.354 175.172 -0.818 18389 13092 1 15 . 1 1 64 64 ASP CA C 64 50.267 50.267 51.739 -1.472 18389 13093 1 15 . 1 1 64 64 ASP CB C 64 37.340 37.340 42.207 -4.867 18389 13094 1 15 . 1 1 64 64 ASP H H 64 7.766 7.766 7.719 0.047 18389 13095 1 15 . 1 1 65 65 TRP N N 65 130.747 130.747 123.237 7.510 18389 13096 1 15 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.825 0.606 18389 13097 1 15 . 1 1 65 65 TRP C C 65 173.930 173.930 177.861 -3.931 18389 13098 1 15 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.321 -4.277 18389 13099 1 15 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.583 -2.976 18389 13100 1 15 . 1 1 65 65 TRP H H 65 9.687 9.687 8.949 0.738 18389 13101 1 15 . 1 1 66 66 SER N N 66 114.151 114.151 117.635 -3.484 18389 13102 1 15 . 1 1 66 66 SER HA H 66 4.041 4.041 4.254 -0.213 18389 13103 1 15 . 1 1 66 66 SER CA C 66 59.812 59.812 60.909 -1.097 18389 13104 1 15 . 1 1 66 66 SER CB C 66 60.892 60.892 63.018 -2.126 18389 13105 1 15 . 1 1 66 66 SER H H 66 8.568 8.568 7.702 0.866 18389 13106 1 15 . 1 1 70 70 LYS N N 70 117.090 117.090 114.266 2.824 18389 13107 1 15 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.787 -0.389 18389 13108 1 15 . 1 1 70 70 LYS C C 70 170.030 170.030 174.333 -4.303 18389 13109 1 15 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.928 -4.069 18389 13110 1 15 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.783 -1.827 18389 13111 1 15 . 1 1 70 70 LYS H H 70 8.308 8.308 7.356 0.952 18389 13112 1 15 . 1 1 71 71 ILE N N 71 118.764 118.764 120.739 -1.975 18389 13113 1 15 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.470 0.744 18389 13114 1 15 . 1 1 71 71 ILE C C 71 169.396 169.396 174.125 -4.729 18389 13115 1 15 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.411 -4.078 18389 13116 1 15 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.492 -0.846 18389 13117 1 15 . 1 1 71 71 ILE H H 71 7.816 7.816 8.394 -0.578 18389 13118 1 15 . 1 1 72 72 SER N N 72 120.952 120.952 115.931 5.021 18389 13119 1 15 . 1 1 72 72 SER HA H 72 5.852 5.852 5.036 0.816 18389 13120 1 15 . 1 1 72 72 SER C C 72 170.208 170.208 172.993 -2.785 18389 13121 1 15 . 1 1 72 72 SER CA C 72 52.457 52.457 56.817 -4.360 18389 13122 1 15 . 1 1 72 72 SER CB C 72 64.125 64.125 66.245 -2.120 18389 13123 1 15 . 1 1 72 72 SER H H 72 9.237 9.237 8.718 0.519 18389 13124 1 15 . 1 1 73 73 PHE N N 73 117.161 117.161 114.909 2.252 18389 13125 1 15 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.478 -0.107 18389 13126 1 15 . 1 1 73 73 PHE C C 73 170.381 170.381 173.535 -3.154 18389 13127 1 15 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.744 -1.947 18389 13128 1 15 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.447 -2.875 18389 13129 1 15 . 1 1 73 73 PHE H H 73 8.093 8.093 8.315 -0.222 18389 13130 1 15 . 1 1 74 74 ASP N N 74 120.210 120.210 120.921 -0.711 18389 13131 1 15 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.335 0.819 18389 13132 1 15 . 1 1 74 74 ASP C C 74 173.653 173.653 174.465 -0.812 18389 13133 1 15 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.360 -2.464 18389 13134 1 15 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.851 -2.364 18389 13135 1 15 . 1 1 74 74 ASP H H 74 8.993 8.993 8.912 0.081 18389 13136 1 15 . 1 1 75 75 ILE N N 75 121.051 121.051 125.484 -4.433 18389 13137 1 15 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.032 1.221 18389 13138 1 15 . 1 1 75 75 ILE C C 75 171.229 171.229 173.191 -1.962 18389 13139 1 15 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.720 -2.199 18389 13140 1 15 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.532 -0.011 18389 13141 1 15 . 1 1 75 75 ILE H H 75 9.681 9.681 7.659 2.022 18389 13142 1 15 . 1 1 76 76 LYS N N 76 124.693 124.693 126.176 -1.483 18389 13143 1 15 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.042 -0.211 18389 13144 1 15 . 1 1 76 76 LYS C C 76 172.283 172.283 175.501 -3.218 18389 13145 1 15 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.239 -0.837 18389 13146 1 15 . 1 1 76 76 LYS CB C 76 32.722 32.722 36.574 -3.852 18389 13147 1 15 . 1 1 76 76 LYS H H 76 8.454 8.454 8.730 -0.276 18389 13148 1 15 . 1 1 77 77 SER N N 77 118.916 118.916 116.536 2.380 18389 13149 1 15 . 1 1 77 77 SER HA H 77 4.816 4.816 4.619 0.197 18389 13150 1 15 . 1 1 77 77 SER C C 77 172.741 172.741 173.757 -1.016 18389 13151 1 15 . 1 1 77 77 SER CA C 77 55.341 55.341 59.758 -4.418 18389 13152 1 15 . 1 1 77 77 SER CB C 77 61.792 61.792 64.036 -2.244 18389 13153 1 15 . 1 1 77 77 SER H H 77 9.236 9.236 8.914 0.322 18389 13154 1 15 . 1 1 78 78 VAL N N 78 120.723 120.723 122.093 -1.370 18389 13155 1 15 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.292 0.042 18389 13156 1 15 . 1 1 78 78 VAL C C 78 172.941 172.941 174.648 -1.707 18389 13157 1 15 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.492 -1.697 18389 13158 1 15 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.227 -2.959 18389 13159 1 15 . 1 1 78 78 VAL H H 78 8.132 8.132 8.308 -0.176 18389 13160 1 15 . 1 1 79 79 ASP N N 79 119.240 119.240 118.339 0.901 18389 13161 1 15 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.533 0.208 18389 13162 1 15 . 1 1 79 79 ASP C C 79 174.199 174.199 176.230 -2.031 18389 13163 1 15 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.821 -3.709 18389 13164 1 15 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.393 -3.320 18389 13165 1 15 . 1 1 79 79 ASP H H 79 8.190 8.190 7.506 0.684 18389 13166 1 15 . 1 1 80 80 GLY N N 80 108.323 108.323 108.510 -0.187 18389 13167 1 15 . 1 1 80 80 GLY C C 80 171.858 171.858 173.937 -2.079 18389 13168 1 15 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.702 -2.599 18389 13169 1 15 . 1 1 80 80 GLY H H 80 8.275 8.275 7.553 0.722 18389 13170 1 15 . 1 1 81 81 SER N N 81 116.291 116.291 113.501 2.790 18389 13171 1 15 . 1 1 81 81 SER HA H 81 4.588 4.588 4.005 0.584 18389 13172 1 15 . 1 1 81 81 SER C C 81 171.588 171.588 174.034 -2.446 18389 13173 1 15 . 1 1 81 81 SER CA C 81 55.552 55.552 59.191 -3.639 18389 13174 1 15 . 1 1 81 81 SER CB C 81 61.910 61.910 63.202 -1.292 18389 13175 1 15 . 1 1 81 81 SER H H 81 8.201 8.201 7.519 0.682 18389 13176 1 15 . 1 1 82 82 ALA N N 82 128.019 128.019 124.202 3.817 18389 13177 1 15 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.347 0.615 18389 13178 1 15 . 1 1 82 82 ALA C C 82 173.332 173.332 176.465 -3.133 18389 13179 1 15 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.520 -2.442 18389 13180 1 15 . 1 1 82 82 ALA CB C 82 16.570 16.570 18.015 -1.444 18389 13181 1 15 . 1 1 82 82 ALA H H 82 8.613 8.613 8.336 0.277 18389 13182 1 15 . 1 1 83 83 ASN N N 83 119.651 119.651 118.654 0.997 18389 13183 1 15 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.879 0.183 18389 13184 1 15 . 1 1 83 83 ASN C C 83 170.848 170.848 174.629 -3.781 18389 13185 1 15 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.106 -1.346 18389 13186 1 15 . 1 1 83 83 ASN CB C 83 38.789 38.789 40.271 -1.482 18389 13187 1 15 . 1 1 83 83 ASN H H 83 8.153 8.153 7.805 0.348 18389 13188 1 15 . 1 1 84 84 GLU N N 84 127.150 127.150 122.301 4.849 18389 13189 1 15 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.487 0.225 18389 13190 1 15 . 1 1 84 84 GLU C C 84 171.647 171.647 176.021 -4.374 18389 13191 1 15 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.615 -1.843 18389 13192 1 15 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.389 -1.688 18389 13193 1 15 . 1 1 84 84 GLU H H 84 8.122 8.122 8.558 -0.436 18389 13194 1 15 . 1 1 85 85 ILE N N 85 117.590 117.590 120.773 -3.183 18389 13195 1 15 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.612 0.021 18389 13196 1 15 . 1 1 85 85 ILE C C 85 171.902 171.902 173.784 -1.882 18389 13197 1 15 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.136 -1.105 18389 13198 1 15 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.342 -2.090 18389 13199 1 15 . 1 1 85 85 ILE H H 85 8.910 8.910 8.792 0.118 18389 13200 1 15 . 1 1 86 86 ARG N N 86 116.697 116.697 118.008 -1.311 18389 13201 1 15 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.152 0.244 18389 13202 1 15 . 1 1 86 86 ARG C C 86 171.787 171.787 175.272 -3.485 18389 13203 1 15 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.180 -1.065 18389 13204 1 15 . 1 1 86 86 ARG CB C 86 32.062 32.062 34.633 -2.571 18389 13205 1 15 . 1 1 86 86 ARG H H 86 9.149 9.149 8.182 0.967 18389 13206 1 15 . 1 1 87 87 PHE N N 87 123.607 123.607 119.119 4.488 18389 13207 1 15 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.050 0.438 18389 13208 1 15 . 1 1 87 87 PHE CA C 87 53.817 53.817 54.446 -0.629 18389 13209 1 15 . 1 1 87 87 PHE CB C 87 40.112 40.112 42.557 -2.446 18389 13210 1 15 . 1 1 87 87 PHE H H 87 9.235 9.235 8.788 0.447 18389 13211 1 15 . 1 1 88 88 MET N N 88 129.893 129.893 120.469 9.424 18389 13212 1 15 . 1 1 88 88 MET HA H 88 5.836 5.836 5.188 0.648 18389 13213 1 15 . 1 1 88 88 MET C C 88 170.768 170.768 173.992 -3.224 18389 13214 1 15 . 1 1 88 88 MET CA C 88 51.118 51.118 54.578 -3.460 18389 13215 1 15 . 1 1 88 88 MET CB C 88 37.224 37.224 37.091 0.133 18389 13216 1 15 . 1 1 88 88 MET H H 88 8.868 8.868 8.719 0.149 18389 13217 1 15 . 1 1 89 89 ILE N N 89 124.630 124.630 125.382 -0.752 18389 13218 1 15 . 1 1 89 89 ILE HA H 89 4.538 4.538 4.653 -0.115 18389 13219 1 15 . 1 1 89 89 ILE C C 89 171.047 171.047 174.577 -3.530 18389 13220 1 15 . 1 1 89 89 ILE CA C 89 57.971 57.971 58.499 -0.528 18389 13221 1 15 . 1 1 89 89 ILE CB C 89 38.920 38.920 38.809 0.112 18389 13222 1 15 . 1 1 89 89 ILE H H 89 9.258 9.258 9.065 0.193 18389 13223 1 15 . 1 1 90 90 ALA N N 90 128.743 128.743 130.077 -1.334 18389 13224 1 15 . 1 1 90 90 ALA HA H 90 5.666 5.666 4.901 0.765 18389 13225 1 15 . 1 1 90 90 ALA C C 90 176.041 176.041 175.634 0.407 18389 13226 1 15 . 1 1 90 90 ALA CA C 90 46.821 46.821 50.019 -3.198 18389 13227 1 15 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.357 -3.026 18389 13228 1 15 . 1 1 90 90 ALA H H 90 8.749 8.749 9.113 -0.364 18389 13229 1 15 . 1 1 91 91 GLU N N 91 121.616 121.616 125.986 -4.370 18389 13230 1 15 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.646 0.072 18389 13231 1 15 . 1 1 91 91 GLU C C 91 174.217 174.217 176.575 -2.358 18389 13232 1 15 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.038 -1.895 18389 13233 1 15 . 1 1 91 91 GLU CB C 91 29.847 29.847 32.424 -2.577 18389 13234 1 15 . 1 1 91 91 GLU H H 91 8.749 8.749 8.746 0.003 18389 13235 1 15 . 1 1 92 92 LYS N N 92 117.975 117.975 125.803 -7.828 18389 13236 1 15 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.426 -0.057 18389 13237 1 15 . 1 1 92 92 LYS C C 92 174.743 174.743 176.421 -1.678 18389 13238 1 15 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.647 -2.287 18389 13239 1 15 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.367 -2.711 18389 13240 1 15 . 1 1 92 92 LYS H H 92 8.014 8.014 8.519 -0.505 18389 13241 1 15 . 1 1 93 93 SER N N 93 115.092 115.092 116.793 -1.701 18389 13242 1 15 . 1 1 93 93 SER HA H 93 4.215 4.215 4.370 -0.155 18389 13243 1 15 . 1 1 93 93 SER C C 93 174.964 174.964 177.177 -2.213 18389 13244 1 15 . 1 1 93 93 SER CA C 93 53.874 53.874 57.507 -3.633 18389 13245 1 15 . 1 1 93 93 SER CB C 93 61.736 61.736 64.049 -2.313 18389 13246 1 15 . 1 1 93 93 SER H H 93 8.083 8.083 8.584 -0.501 18389 13247 1 15 . 1 1 94 94 ILE N N 94 121.880 121.880 121.558 0.322 18389 13248 1 15 . 1 1 94 94 ILE HA H 94 4.386 4.386 3.882 0.504 18389 13249 1 15 . 1 1 94 94 ILE C C 94 174.020 174.020 175.730 -1.710 18389 13250 1 15 . 1 1 94 94 ILE CA C 94 60.345 60.345 63.283 -2.938 18389 13251 1 15 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.530 -1.529 18389 13252 1 15 . 1 1 94 94 ILE H H 94 9.150 9.150 8.792 0.358 18389 13253 1 15 . 1 1 95 95 ASN N N 95 117.349 117.349 118.365 -1.016 18389 13254 1 15 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.732 0.323 18389 13255 1 15 . 1 1 95 95 ASN C C 95 173.659 173.659 176.056 -2.397 18389 13256 1 15 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.432 -4.045 18389 13257 1 15 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.977 -2.311 18389 13258 1 15 . 1 1 95 95 ASN H H 95 8.163 8.163 8.195 -0.032 18389 13259 1 15 . 1 1 96 96 GLY N N 96 106.957 106.957 107.308 -0.351 18389 13260 1 15 . 1 1 96 96 GLY C C 96 170.704 170.704 174.025 -3.321 18389 13261 1 15 . 1 1 96 96 GLY CA C 96 43.319 43.319 44.835 -1.516 18389 13262 1 15 . 1 1 96 96 GLY H H 96 7.530 7.530 7.856 -0.326 18389 13263 1 15 . 1 1 97 97 VAL N N 97 119.393 119.393 121.073 -1.680 18389 13264 1 15 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.000 0.354 18389 13265 1 15 . 1 1 97 97 VAL C C 97 173.622 173.622 177.283 -3.661 18389 13266 1 15 . 1 1 97 97 VAL CA C 97 59.142 59.142 62.926 -3.784 18389 13267 1 15 . 1 1 97 97 VAL CB C 97 30.771 30.771 32.009 -1.238 18389 13268 1 15 . 1 1 97 97 VAL H H 97 7.650 7.650 7.597 0.053 18389 13269 1 15 . 1 1 98 98 GLY N N 98 115.075 115.075 110.705 4.370 18389 13270 1 15 . 1 1 98 98 GLY C C 98 170.065 170.065 173.379 -3.314 18389 13271 1 15 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.375 -2.636 18389 13272 1 15 . 1 1 98 98 GLY H H 98 8.712 8.712 8.772 -0.060 18389 13273 1 15 . 1 1 99 99 ASP N N 99 119.064 119.064 117.316 1.748 18389 13274 1 15 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.972 -0.297 18389 13275 1 15 . 1 1 99 99 ASP C C 99 172.502 172.502 175.354 -2.852 18389 13276 1 15 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.089 -2.508 18389 13277 1 15 . 1 1 99 99 ASP CB C 99 39.195 39.195 44.298 -5.103 18389 13278 1 15 . 1 1 99 99 ASP H H 99 8.746 8.746 7.244 1.502 18389 13279 1 15 . 1 1 100 100 GLY N N 100 109.333 109.333 106.858 2.475 18389 13280 1 15 . 1 1 100 100 GLY C C 100 167.638 167.638 172.776 -5.138 18389 13281 1 15 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.711 -5.602 18389 13282 1 15 . 1 1 100 100 GLY H H 100 8.285 8.285 7.809 0.476 18389 13283 1 15 . 1 1 101 101 GLU N N 101 120.835 120.835 122.962 -2.127 18389 13284 1 15 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.910 -0.183 18389 13285 1 15 . 1 1 101 101 GLU C C 101 173.652 173.652 173.951 -0.299 18389 13286 1 15 . 1 1 101 101 GLU CA C 101 55.449 55.449 54.691 0.757 18389 13287 1 15 . 1 1 101 101 GLU CB C 101 31.014 31.014 32.648 -1.633 18389 13288 1 15 . 1 1 101 101 GLU H H 101 8.339 8.339 7.338 1.001 18389 13289 1 15 . 1 1 102 102 HIS N N 102 126.597 126.597 123.537 3.060 18389 13290 1 15 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.420 -0.014 18389 13291 1 15 . 1 1 102 102 HIS C C 102 174.479 174.479 173.815 0.664 18389 13292 1 15 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.347 -1.435 18389 13293 1 15 . 1 1 102 102 HIS CB C 102 33.756 33.756 33.028 0.728 18389 13294 1 15 . 1 1 102 102 HIS H H 102 10.029 10.029 9.006 1.023 18389 13295 1 15 . 1 1 103 103 TRP N N 103 125.616 125.616 122.676 2.940 18389 13296 1 15 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.286 -0.255 18389 13297 1 15 . 1 1 103 103 TRP C C 103 173.236 173.236 174.953 -1.717 18389 13298 1 15 . 1 1 103 103 TRP CA C 103 54.833 54.833 55.884 -1.051 18389 13299 1 15 . 1 1 103 103 TRP CB C 103 29.190 29.190 31.684 -2.494 18389 13300 1 15 . 1 1 103 103 TRP H H 103 9.242 9.242 9.099 0.143 18389 13301 1 15 . 1 1 104 104 VAL N N 104 114.086 114.086 118.449 -4.363 18389 13302 1 15 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.086 1.047 18389 13303 1 15 . 1 1 104 104 VAL C C 104 173.194 173.194 173.464 -0.270 18389 13304 1 15 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.362 -2.033 18389 13305 1 15 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.212 0.231 18389 13306 1 15 . 1 1 104 104 VAL H H 104 10.273 10.273 8.901 1.372 18389 13307 1 15 . 1 1 105 105 TYR N N 105 123.278 123.278 125.307 -2.029 18389 13308 1 15 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.809 -0.149 18389 13309 1 15 . 1 1 105 105 TYR C C 105 172.030 172.030 174.047 -2.017 18389 13310 1 15 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.087 0.635 18389 13311 1 15 . 1 1 105 105 TYR CB C 105 40.973 40.973 42.070 -1.097 18389 13312 1 15 . 1 1 105 105 TYR H H 105 9.219 9.219 8.560 0.659 18389 13313 1 15 . 1 1 106 106 SER N N 106 123.619 123.619 121.084 2.535 18389 13314 1 15 . 1 1 106 106 SER HA H 106 5.226 5.226 5.211 0.015 18389 13315 1 15 . 1 1 106 106 SER C C 106 170.291 170.291 172.526 -2.235 18389 13316 1 15 . 1 1 106 106 SER CA C 106 56.800 56.800 56.022 0.778 18389 13317 1 15 . 1 1 106 106 SER CB C 106 61.265 61.265 64.361 -3.096 18389 13318 1 15 . 1 1 106 106 SER H H 106 7.768 7.768 8.321 -0.553 18389 13319 1 15 . 1 1 107 107 ILE N N 107 120.192 120.192 121.926 -1.734 18389 13320 1 15 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.450 0.309 18389 13321 1 15 . 1 1 107 107 ILE C C 107 171.471 171.471 173.499 -2.028 18389 13322 1 15 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.396 -2.385 18389 13323 1 15 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.163 -1.404 18389 13324 1 15 . 1 1 107 107 ILE H H 107 8.942 8.942 8.829 0.113 18389 13325 1 15 . 1 1 108 108 THR N N 108 118.723 118.723 116.288 2.435 18389 13326 1 15 . 1 1 108 108 THR HA H 108 5.017 5.017 4.924 0.093 18389 13327 1 15 . 1 1 108 108 THR C C 108 170.359 170.359 173.501 -3.142 18389 13328 1 15 . 1 1 108 108 THR CA C 108 56.686 56.686 58.915 -2.229 18389 13329 1 15 . 1 1 108 108 THR CB C 108 67.488 67.488 69.698 -2.210 18389 13330 1 15 . 1 1 108 108 THR H H 108 8.718 8.718 8.264 0.454 18389 13331 1 15 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.564 -0.154 18389 13332 1 15 . 1 1 109 109 PRO C C 109 171.443 171.443 175.513 -4.070 18389 13333 1 15 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.637 -2.813 18389 13334 1 15 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.374 -3.396 18389 13335 1 15 . 1 1 110 110 ASP N N 110 122.785 122.785 118.189 4.596 18389 13336 1 15 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.904 0.244 18389 13337 1 15 . 1 1 110 110 ASP C C 110 174.113 174.113 176.054 -1.941 18389 13338 1 15 . 1 1 110 110 ASP CA C 110 50.056 50.056 52.901 -2.845 18389 13339 1 15 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.957 -3.268 18389 13340 1 15 . 1 1 110 110 ASP H H 110 9.061 9.061 8.377 0.684 18389 13341 1 15 . 1 1 111 111 SER N N 111 112.595 112.595 114.183 -1.588 18389 13342 1 15 . 1 1 111 111 SER HA H 111 4.432 4.432 4.801 -0.369 18389 13343 1 15 . 1 1 111 111 SER CA C 111 58.333 58.333 58.255 0.077 18389 13344 1 15 . 1 1 111 111 SER CB C 111 61.046 61.046 64.446 -3.400 18389 13345 1 15 . 1 1 111 111 SER H H 111 8.435 8.435 8.454 -0.019 18389 13346 1 15 . 1 1 112 112 SER N N 112 116.615 116.615 117.424 -0.809 18389 13347 1 15 . 1 1 112 112 SER HA H 112 4.862 4.862 4.630 0.232 18389 13348 1 15 . 1 1 112 112 SER C C 112 170.519 170.519 173.149 -2.630 18389 13349 1 15 . 1 1 112 112 SER CA C 112 54.017 54.017 57.652 -3.635 18389 13350 1 15 . 1 1 112 112 SER CB C 112 62.948 62.948 64.646 -1.698 18389 13351 1 15 . 1 1 112 112 SER H H 112 8.035 8.035 8.046 -0.011 18389 13352 1 15 . 1 1 113 113 TRP N N 113 120.576 120.576 126.848 -6.272 18389 13353 1 15 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.769 -0.215 18389 13354 1 15 . 1 1 113 113 TRP C C 113 174.599 174.599 174.991 -0.392 18389 13355 1 15 . 1 1 113 113 TRP CA C 113 56.882 56.882 56.782 0.100 18389 13356 1 15 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.175 -1.815 18389 13357 1 15 . 1 1 113 113 TRP H H 113 8.318 8.318 8.470 -0.152 18389 13358 1 15 . 1 1 114 114 LYS N N 114 123.372 123.372 126.635 -3.263 18389 13359 1 15 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.703 0.191 18389 13360 1 15 . 1 1 114 114 LYS C C 114 172.772 172.772 174.804 -2.032 18389 13361 1 15 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.539 -2.591 18389 13362 1 15 . 1 1 114 114 LYS CB C 114 34.250 34.250 36.444 -2.194 18389 13363 1 15 . 1 1 114 114 LYS H H 114 8.782 8.782 8.427 0.355 18389 13364 1 15 . 1 1 115 115 THR N N 115 120.929 120.929 118.231 2.698 18389 13365 1 15 . 1 1 115 115 THR HA H 115 5.226 5.226 4.795 0.431 18389 13366 1 15 . 1 1 115 115 THR C C 115 171.778 171.778 174.860 -3.082 18389 13367 1 15 . 1 1 115 115 THR CA C 115 59.671 59.671 62.395 -2.724 18389 13368 1 15 . 1 1 115 115 THR CB C 115 66.938 66.938 69.318 -2.380 18389 13369 1 15 . 1 1 115 115 THR H H 115 8.689 8.689 8.445 0.244 18389 13370 1 15 . 1 1 116 116 ILE N N 116 131.929 131.929 129.181 2.748 18389 13371 1 15 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.191 -0.007 18389 13372 1 15 . 1 1 116 116 ILE C C 116 171.012 171.012 174.620 -3.608 18389 13373 1 15 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.901 -4.544 18389 13374 1 15 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.983 -3.652 18389 13375 1 15 . 1 1 116 116 ILE H H 116 9.470 9.470 9.103 0.367 18389 13376 1 15 . 1 1 117 117 GLU N N 117 124.514 124.514 127.750 -3.236 18389 13377 1 15 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.782 0.088 18389 13378 1 15 . 1 1 117 117 GLU C C 117 173.332 173.332 175.525 -2.193 18389 13379 1 15 . 1 1 117 117 GLU CA C 117 51.798 51.798 54.471 -2.674 18389 13380 1 15 . 1 1 117 117 GLU CB C 117 29.693 29.693 30.678 -0.985 18389 13381 1 15 . 1 1 117 117 GLU H H 117 8.089 8.089 8.563 -0.474 18389 13382 1 15 . 1 1 118 118 ILE N N 118 125.005 125.005 118.968 6.037 18389 13383 1 15 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.577 -0.154 18389 13384 1 15 . 1 1 118 118 ILE C C 118 171.765 171.765 173.753 -1.988 18389 13385 1 15 . 1 1 118 118 ILE CA C 118 55.640 55.640 56.931 -1.291 18389 13386 1 15 . 1 1 118 118 ILE CB C 118 37.429 37.429 38.177 -0.748 18389 13387 1 15 . 1 1 118 118 ILE H H 118 9.322 9.322 8.280 1.042 18389 13388 1 15 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.674 0.163 18389 13389 1 15 . 1 1 119 119 PRO C C 119 176.780 176.780 178.279 -1.499 18389 13390 1 15 . 1 1 119 119 PRO CA C 119 59.404 59.404 63.670 -4.266 18389 13391 1 15 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.089 -3.024 18389 13392 1 15 . 1 1 120 120 PHE N N 120 124.627 124.627 115.661 8.966 18389 13393 1 15 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.474 0.520 18389 13394 1 15 . 1 1 120 120 PHE C C 120 175.402 175.402 175.393 0.009 18389 13395 1 15 . 1 1 120 120 PHE CA C 120 59.272 59.272 58.262 1.010 18389 13396 1 15 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.602 -2.357 18389 13397 1 15 . 1 1 120 120 PHE H H 120 8.160 8.160 7.778 0.382 18389 13398 1 15 . 1 1 121 121 SER N N 121 110.551 110.551 113.717 -3.166 18389 13399 1 15 . 1 1 121 121 SER HA H 121 4.647 4.647 3.791 0.856 18389 13400 1 15 . 1 1 121 121 SER C C 121 173.187 173.187 174.110 -0.923 18389 13401 1 15 . 1 1 121 121 SER CA C 121 57.359 57.359 58.626 -1.266 18389 13402 1 15 . 1 1 121 121 SER CB C 121 60.639 60.639 61.835 -1.196 18389 13403 1 15 . 1 1 121 121 SER H H 121 8.367 8.367 7.956 0.411 18389 13404 1 15 . 1 1 122 122 SER N N 122 117.166 117.166 113.495 3.671 18389 13405 1 15 . 1 1 122 122 SER HA H 122 4.946 4.946 1.051 3.895 18389 13406 1 15 . 1 1 122 122 SER C C 122 172.296 172.296 174.014 -1.718 18389 13407 1 15 . 1 1 122 122 SER CA C 122 57.525 57.525 58.062 -0.537 18389 13408 1 15 . 1 1 122 122 SER CB C 122 61.716 61.716 60.841 0.875 18389 13409 1 15 . 1 1 122 122 SER H H 122 8.537 8.537 7.955 0.582 18389 13410 1 15 . 1 1 123 123 PHE N N 123 119.840 119.840 112.403 7.437 18389 13411 1 15 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.102 0.545 18389 13412 1 15 . 1 1 123 123 PHE C C 123 173.527 173.527 174.135 -0.608 18389 13413 1 15 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.054 -0.276 18389 13414 1 15 . 1 1 123 123 PHE CB C 123 38.547 38.547 36.270 2.277 18389 13415 1 15 . 1 1 123 123 PHE H H 123 7.807 7.807 7.578 0.229 18389 13416 1 15 . 1 1 124 124 ARG N N 124 120.098 120.098 122.066 -1.968 18389 13417 1 15 . 1 1 124 124 ARG HA H 124 5.341 5.341 4.923 0.418 18389 13418 1 15 . 1 1 124 124 ARG C C 124 172.631 172.631 175.775 -3.144 18389 13419 1 15 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.650 -3.325 18389 13420 1 15 . 1 1 124 124 ARG CB C 124 30.721 30.721 31.526 -0.805 18389 13421 1 15 . 1 1 124 124 ARG H H 124 9.297 9.297 8.342 0.955 18389 13422 1 15 . 1 1 125 125 ARG N N 125 126.739 126.739 124.541 2.198 18389 13423 1 15 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.454 -1.492 18389 13424 1 15 . 1 1 125 125 ARG C C 125 174.319 174.319 176.750 -2.431 18389 13425 1 15 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.486 -0.450 18389 13426 1 15 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.395 -3.047 18389 13427 1 15 . 1 1 125 125 ARG H H 125 8.611 8.611 8.991 -0.380 18389 13428 1 15 . 1 1 126 126 ARG N N 126 126.556 126.556 125.036 1.520 18389 13429 1 15 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.225 -0.261 18389 13430 1 15 . 1 1 126 126 ARG C C 126 174.021 174.021 176.316 -2.295 18389 13431 1 15 . 1 1 126 126 ARG CA C 126 55.538 55.538 54.925 0.613 18389 13432 1 15 . 1 1 126 126 ARG CB C 126 29.739 29.739 28.326 1.413 18389 13433 1 15 . 1 1 126 126 ARG H H 126 7.917 7.917 8.375 -0.458 18389 13434 1 15 . 1 1 127 127 LEU N N 127 124.550 124.550 122.052 2.498 18389 13435 1 15 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.053 0.601 18389 13436 1 15 . 1 1 127 127 LEU C C 127 175.775 175.775 177.197 -1.422 18389 13437 1 15 . 1 1 127 127 LEU CA C 127 53.208 53.208 57.137 -3.929 18389 13438 1 15 . 1 1 127 127 LEU CB C 127 41.378 41.378 41.569 -0.191 18389 13439 1 15 . 1 1 127 127 LEU H H 127 8.817 8.817 7.790 1.027 18389 13440 1 15 . 1 1 128 128 ASP N N 128 116.209 116.209 117.729 -1.520 18389 13441 1 15 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.560 -0.011 18389 13442 1 15 . 1 1 128 128 ASP C C 128 172.491 172.491 176.577 -4.086 18389 13443 1 15 . 1 1 128 128 ASP CA C 128 52.492 52.492 56.206 -3.714 18389 13444 1 15 . 1 1 128 128 ASP CB C 128 36.582 36.582 40.940 -4.358 18389 13445 1 15 . 1 1 128 128 ASP H H 128 9.072 9.072 8.278 0.794 18389 13446 1 15 . 1 1 129 129 TYR N N 129 119.329 119.329 118.122 1.207 18389 13447 1 15 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.653 -0.300 18389 13448 1 15 . 1 1 129 129 TYR C C 129 169.992 169.992 174.536 -4.544 18389 13449 1 15 . 1 1 129 129 TYR CA C 129 56.345 56.345 58.192 -1.847 18389 13450 1 15 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.592 -2.145 18389 13451 1 15 . 1 1 129 129 TYR H H 129 7.002 7.002 7.768 -0.766 18389 13452 1 15 . 1 1 130 130 GLN N N 130 121.469 121.469 121.787 -0.318 18389 13453 1 15 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.648 -0.739 18389 13454 1 15 . 1 1 130 130 GLN C C 130 170.223 170.223 173.914 -3.691 18389 13455 1 15 . 1 1 130 130 GLN CA C 130 49.789 49.789 53.340 -3.551 18389 13456 1 15 . 1 1 130 130 GLN CB C 130 29.625 29.625 29.467 0.158 18389 13457 1 15 . 1 1 130 130 GLN H H 130 6.288 6.288 8.168 -1.880 18389 13458 1 15 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.530 -0.120 18389 13459 1 15 . 1 1 132 132 PRO C C 132 175.720 175.720 177.406 -1.686 18389 13460 1 15 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.388 -1.315 18389 13461 1 15 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.816 -3.701 18389 13462 1 15 . 1 1 133 133 GLY N N 133 104.558 104.558 108.192 -3.634 18389 13463 1 15 . 1 1 133 133 GLY C C 133 171.229 171.229 173.260 -2.031 18389 13464 1 15 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.702 -2.187 18389 13465 1 15 . 1 1 133 133 GLY H H 133 8.298 8.298 8.483 -0.185 18389 13466 1 15 . 1 1 134 134 GLN N N 134 116.684 116.684 117.251 -0.567 18389 13467 1 15 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.574 -0.207 18389 13468 1 15 . 1 1 134 134 GLN C C 134 172.815 172.815 173.963 -1.148 18389 13469 1 15 . 1 1 134 134 GLN CA C 134 53.804 53.804 54.332 -0.528 18389 13470 1 15 . 1 1 134 134 GLN CB C 134 24.866 24.866 32.352 -7.486 18389 13471 1 15 . 1 1 134 134 GLN H H 134 7.273 7.273 7.680 -0.407 18389 13472 1 15 . 1 1 135 135 ASP N N 135 118.688 118.688 121.193 -2.505 18389 13473 1 15 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.563 -0.201 18389 13474 1 15 . 1 1 135 135 ASP C C 135 174.301 174.301 175.605 -1.304 18389 13475 1 15 . 1 1 135 135 ASP CA C 135 51.810 51.810 55.587 -3.777 18389 13476 1 15 . 1 1 135 135 ASP CB C 135 36.904 36.904 40.782 -3.878 18389 13477 1 15 . 1 1 135 135 ASP H H 135 8.844 8.844 8.598 0.246 18389 13478 1 15 . 1 1 136 136 MET N N 136 114.721 114.721 120.828 -6.107 18389 13479 1 15 . 1 1 136 136 MET HA H 136 4.035 4.035 5.085 -1.050 18389 13480 1 15 . 1 1 136 136 MET C C 136 174.252 174.252 175.986 -1.734 18389 13481 1 15 . 1 1 136 136 MET CA C 136 54.461 54.461 54.321 0.140 18389 13482 1 15 . 1 1 136 136 MET CB C 136 29.439 29.439 32.294 -2.855 18389 13483 1 15 . 1 1 136 136 MET H H 136 7.585 7.585 8.218 -0.633 18389 13484 1 15 . 1 1 137 137 SER N N 137 118.130 118.130 116.220 1.910 18389 13485 1 15 . 1 1 137 137 SER HA H 137 4.392 4.392 4.473 -0.081 18389 13486 1 15 . 1 1 137 137 SER C C 137 174.811 174.811 176.089 -1.278 18389 13487 1 15 . 1 1 137 137 SER CA C 137 57.841 57.841 58.830 -0.989 18389 13488 1 15 . 1 1 137 137 SER CB C 137 62.369 62.369 63.473 -1.104 18389 13489 1 15 . 1 1 137 137 SER H H 137 9.140 9.140 8.864 0.276 18389 13490 1 15 . 1 1 138 138 GLY N N 138 114.534 114.534 110.789 3.745 18389 13491 1 15 . 1 1 138 138 GLY C C 138 170.903 170.903 173.505 -2.602 18389 13492 1 15 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.795 -1.598 18389 13493 1 15 . 1 1 138 138 GLY H H 138 10.549 10.549 8.842 1.707 18389 13494 1 15 . 1 1 139 139 THR N N 139 112.564 112.564 113.745 -1.181 18389 13495 1 15 . 1 1 139 139 THR HA H 139 4.538 4.538 4.724 -0.186 18389 13496 1 15 . 1 1 139 139 THR C C 139 168.086 168.086 172.913 -4.827 18389 13497 1 15 . 1 1 139 139 THR CA C 139 57.132 57.132 59.479 -2.347 18389 13498 1 15 . 1 1 139 139 THR CB C 139 68.854 68.854 70.655 -1.801 18389 13499 1 15 . 1 1 139 139 THR H H 139 8.504 8.504 7.520 0.984 18389 13500 1 15 . 1 1 140 140 LEU N N 140 129.971 129.971 123.417 6.554 18389 13501 1 15 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.455 -0.684 18389 13502 1 15 . 1 1 140 140 LEU C C 140 172.175 172.175 175.522 -3.347 18389 13503 1 15 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.481 -2.146 18389 13504 1 15 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.248 -5.376 18389 13505 1 15 . 1 1 140 140 LEU H H 140 7.900 7.900 7.983 -0.083 18389 13506 1 15 . 1 1 141 141 ASP N N 141 132.200 132.200 127.239 4.961 18389 13507 1 15 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.766 -0.062 18389 13508 1 15 . 1 1 141 141 ASP C C 141 172.137 172.137 175.820 -3.683 18389 13509 1 15 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.470 -1.778 18389 13510 1 15 . 1 1 141 141 ASP CB C 141 38.561 38.561 40.797 -2.236 18389 13511 1 15 . 1 1 141 141 ASP H H 141 9.101 9.101 8.919 0.182 18389 13512 1 15 . 1 1 142 142 LEU N N 142 122.667 122.667 123.063 -0.396 18389 13513 1 15 . 1 1 142 142 LEU HA H 142 3.740 3.740 4.074 -0.334 18389 13514 1 15 . 1 1 142 142 LEU CA C 142 53.747 53.747 54.929 -1.183 18389 13515 1 15 . 1 1 142 142 LEU CB C 142 39.898 39.898 40.454 -0.556 18389 13516 1 15 . 1 1 142 142 LEU H H 142 7.799 7.799 7.882 -0.083 18389 13517 1 15 . 1 1 143 143 ASP N N 143 112.789 112.789 116.247 -3.458 18389 13518 1 15 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.411 0.505 18389 13519 1 15 . 1 1 143 143 ASP C C 143 173.547 173.547 176.420 -2.873 18389 13520 1 15 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.008 -4.907 18389 13521 1 15 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.653 -3.355 18389 13522 1 15 . 1 1 143 143 ASP H H 143 8.473 8.473 8.123 0.350 18389 13523 1 15 . 1 1 144 144 ASN N N 144 120.743 120.743 117.026 3.717 18389 13524 1 15 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.812 0.267 18389 13525 1 15 . 1 1 144 144 ASN C C 144 171.278 171.278 173.152 -1.874 18389 13526 1 15 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.807 -3.333 18389 13527 1 15 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.960 -1.781 18389 13528 1 15 . 1 1 144 144 ASN H H 144 7.867 7.867 7.846 0.021 18389 13529 1 15 . 1 1 145 145 ILE N N 145 122.844 122.844 119.243 3.601 18389 13530 1 15 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.397 -0.557 18389 13531 1 15 . 1 1 145 145 ILE C C 145 172.420 172.420 175.571 -3.151 18389 13532 1 15 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.696 -1.835 18389 13533 1 15 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.908 -4.501 18389 13534 1 15 . 1 1 145 145 ILE H H 145 8.770 8.770 8.125 0.645 18389 13535 1 15 . 1 1 146 146 ASP N N 146 125.428 125.428 125.158 0.270 18389 13536 1 15 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.789 -0.136 18389 13537 1 15 . 1 1 146 146 ASP C C 146 172.931 172.931 175.470 -2.539 18389 13538 1 15 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.241 -1.889 18389 13539 1 15 . 1 1 146 146 ASP CB C 146 43.912 43.912 44.249 -0.337 18389 13540 1 15 . 1 1 146 146 ASP H H 146 9.355 9.355 8.881 0.474 18389 13541 1 15 . 1 1 147 147 SER N N 147 108.442 108.442 111.349 -2.907 18389 13542 1 15 . 1 1 147 147 SER HA H 147 5.054 5.054 5.563 -0.509 18389 13543 1 15 . 1 1 147 147 SER C C 147 169.957 169.957 172.693 -2.736 18389 13544 1 15 . 1 1 147 147 SER CA C 147 54.584 54.584 56.856 -2.272 18389 13545 1 15 . 1 1 147 147 SER CB C 147 62.518 62.518 66.714 -4.196 18389 13546 1 15 . 1 1 147 147 SER H H 147 7.927 7.927 7.614 0.313 18389 13547 1 15 . 1 1 148 148 ILE N N 148 110.150 110.150 115.578 -5.428 18389 13548 1 15 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.152 0.497 18389 13549 1 15 . 1 1 148 148 ILE C C 148 171.932 171.932 173.832 -1.900 18389 13550 1 15 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.231 -2.609 18389 13551 1 15 . 1 1 148 148 ILE CB C 148 38.713 38.713 40.999 -2.286 18389 13552 1 15 . 1 1 148 148 ILE H H 148 8.043 8.043 8.469 -0.426 18389 13553 1 15 . 1 1 149 149 HIS N N 149 118.612 118.612 121.348 -2.736 18389 13554 1 15 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.330 1.160 18389 13555 1 15 . 1 1 149 149 HIS C C 149 174.287 174.287 173.750 0.537 18389 13556 1 15 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.426 -2.524 18389 13557 1 15 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.170 -1.211 18389 13558 1 15 . 1 1 149 149 HIS H H 149 9.331 9.331 8.748 0.583 18389 13559 1 15 . 1 1 150 150 PHE N N 150 117.037 117.037 119.333 -2.296 18389 13560 1 15 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.779 0.751 18389 13561 1 15 . 1 1 150 150 PHE C C 150 172.808 172.808 174.538 -1.730 18389 13562 1 15 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.957 -0.454 18389 13563 1 15 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.900 -2.620 18389 13564 1 15 . 1 1 150 150 PHE H H 150 8.788 8.788 8.047 0.741 18389 13565 1 15 . 1 1 151 151 MET N N 151 119.781 119.781 118.247 1.534 18389 13566 1 15 . 1 1 151 151 MET HA H 151 4.664 4.664 4.169 0.495 18389 13567 1 15 . 1 1 151 151 MET C C 151 170.282 170.282 173.465 -3.183 18389 13568 1 15 . 1 1 151 151 MET CA C 151 52.146 52.146 54.283 -2.137 18389 13569 1 15 . 1 1 151 151 MET CB C 151 34.947 34.947 36.810 -1.863 18389 13570 1 15 . 1 1 151 151 MET H H 151 9.761 9.761 8.574 1.187 18389 13571 1 15 . 1 1 152 152 TYR N N 152 117.149 117.149 119.067 -1.918 18389 13572 1 15 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.687 -0.611 18389 13573 1 15 . 1 1 152 152 TYR C C 152 171.554 171.554 174.836 -3.282 18389 13574 1 15 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.279 -0.934 18389 13575 1 15 . 1 1 152 152 TYR CB C 152 36.904 36.904 36.981 -0.077 18389 13576 1 15 . 1 1 152 152 TYR H H 152 6.275 6.275 8.494 -2.219 18389 13577 1 15 . 1 1 153 153 ALA N N 153 121.523 121.523 122.280 -0.757 18389 13578 1 15 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.291 -0.128 18389 13579 1 15 . 1 1 153 153 ALA C C 153 173.777 173.777 176.873 -3.096 18389 13580 1 15 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.861 -3.676 18389 13581 1 15 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.236 0.729 18389 13582 1 15 . 1 1 153 153 ALA H H 153 10.019 10.019 8.329 1.690 18389 13583 1 15 . 1 1 154 154 ASN N N 154 114.643 114.643 115.766 -1.123 18389 13584 1 15 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.955 0.229 18389 13585 1 15 . 1 1 154 154 ASN C C 154 173.267 173.267 174.568 -1.301 18389 13586 1 15 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.922 -3.007 18389 13587 1 15 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.662 -3.949 18389 13588 1 15 . 1 1 154 154 ASN H H 154 8.141 8.141 8.043 0.098 18389 13589 1 15 . 1 1 156 156 LYS N N 156 119.099 119.099 121.831 -2.732 18389 13590 1 15 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.046 0.692 18389 13591 1 15 . 1 1 156 156 LYS C C 156 173.965 173.965 176.106 -2.141 18389 13592 1 15 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.797 -2.925 18389 13593 1 15 . 1 1 156 156 LYS CB C 156 30.426 30.426 32.523 -2.097 18389 13594 1 15 . 1 1 156 156 LYS H H 156 8.298 8.298 8.127 0.171 18389 13595 1 15 . 1 1 157 157 SER N N 157 115.584 115.584 117.783 -2.199 18389 13596 1 15 . 1 1 157 157 SER HA H 157 5.055 5.055 3.622 1.433 18389 13597 1 15 . 1 1 157 157 SER C C 157 169.925 169.925 174.552 -4.627 18389 13598 1 15 . 1 1 157 157 SER CA C 157 55.617 55.617 59.103 -3.486 18389 13599 1 15 . 1 1 157 157 SER CB C 157 63.180 63.180 63.237 -0.057 18389 13600 1 15 . 1 1 157 157 SER H H 157 8.240 8.240 8.261 -0.021 18389 13601 1 15 . 1 1 158 158 GLY N N 158 108.219 108.219 112.260 -4.041 18389 13602 1 15 . 1 1 158 158 GLY C C 158 168.322 168.322 171.193 -2.871 18389 13603 1 15 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.365 -1.800 18389 13604 1 15 . 1 1 158 158 GLY H H 158 6.942 6.942 7.462 -0.520 18389 13605 1 15 . 1 1 159 159 LYS N N 159 116.608 116.608 117.791 -1.183 18389 13606 1 15 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.425 0.096 18389 13607 1 15 . 1 1 159 159 LYS C C 159 172.966 172.966 174.688 -1.722 18389 13608 1 15 . 1 1 159 159 LYS CA C 159 53.141 53.141 55.143 -2.002 18389 13609 1 15 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.475 -1.770 18389 13610 1 15 . 1 1 159 159 LYS H H 159 7.925 7.925 7.887 0.038 18389 13611 1 15 . 1 1 160 160 PHE N N 160 121.804 121.804 117.993 3.811 18389 13612 1 15 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.110 0.415 18389 13613 1 15 . 1 1 160 160 PHE C C 160 168.125 168.125 173.793 -5.668 18389 13614 1 15 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.811 -3.496 18389 13615 1 15 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.595 -4.544 18389 13616 1 15 . 1 1 160 160 PHE H H 160 8.834 8.834 9.172 -0.338 18389 13617 1 15 . 1 1 161 161 VAL N N 161 119.787 119.787 116.355 3.432 18389 13618 1 15 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.358 0.020 18389 13619 1 15 . 1 1 161 161 VAL C C 161 170.736 170.736 174.598 -3.862 18389 13620 1 15 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.902 -3.246 18389 13621 1 15 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.035 -3.098 18389 13622 1 15 . 1 1 161 161 VAL H H 161 9.277 9.277 9.030 0.247 18389 13623 1 15 . 1 1 162 162 VAL N N 162 121.357 121.357 116.953 4.404 18389 13624 1 15 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.461 0.506 18389 13625 1 15 . 1 1 162 162 VAL C C 162 170.928 170.928 174.305 -3.377 18389 13626 1 15 . 1 1 162 162 VAL CA C 162 55.686 55.686 58.785 -3.099 18389 13627 1 15 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.587 -1.745 18389 13628 1 15 . 1 1 162 162 VAL H H 162 8.453 8.453 8.923 -0.470 18389 13629 1 15 . 1 1 163 163 ASP N N 163 119.088 119.088 122.855 -3.767 18389 13630 1 15 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.506 0.073 18389 13631 1 15 . 1 1 163 163 ASP C C 163 172.563 172.563 175.512 -2.949 18389 13632 1 15 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.504 -3.022 18389 13633 1 15 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.454 -2.991 18389 13634 1 15 . 1 1 163 163 ASP H H 163 9.233 9.233 8.770 0.463 18389 13635 1 15 . 1 1 164 164 ASN N N 164 117.316 117.316 116.605 0.711 18389 13636 1 15 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.620 0.029 18389 13637 1 15 . 1 1 164 164 ASN C C 164 170.940 170.940 174.009 -3.069 18389 13638 1 15 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.260 -1.588 18389 13639 1 15 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.975 -2.580 18389 13640 1 15 . 1 1 164 164 ASN H H 164 9.864 9.864 8.705 1.159 18389 13641 1 15 . 1 1 165 165 ILE N N 165 118.660 118.660 119.913 -1.253 18389 13642 1 15 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.679 0.760 18389 13643 1 15 . 1 1 165 165 ILE C C 165 173.336 173.336 175.658 -2.322 18389 13644 1 15 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.105 -2.950 18389 13645 1 15 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.178 -1.991 18389 13646 1 15 . 1 1 165 165 ILE H H 165 8.716 8.716 8.349 0.367 18389 13647 1 15 . 1 1 166 166 LYS N N 166 127.896 127.896 125.607 2.289 18389 13648 1 15 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.194 -0.016 18389 13649 1 15 . 1 1 166 166 LYS C C 166 170.453 170.453 174.850 -4.397 18389 13650 1 15 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.243 -1.719 18389 13651 1 15 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.321 -1.075 18389 13652 1 15 . 1 1 166 166 LYS H H 166 9.921 9.921 8.887 1.034 18389 13653 1 15 . 1 1 167 167 LEU N N 167 120.747 120.747 115.241 5.506 18389 13654 1 15 . 1 1 167 167 LEU HA H 167 4.836 4.836 5.183 -0.347 18389 13655 1 15 . 1 1 167 167 LEU C C 167 173.703 173.703 174.706 -1.003 18389 13656 1 15 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.405 -2.826 18389 13657 1 15 . 1 1 167 167 LEU CB C 167 40.711 40.711 45.862 -5.151 18389 13658 1 15 . 1 1 167 167 LEU H H 167 8.552 8.552 8.586 -0.034 18389 13659 1 15 . 1 1 168 168 ILE N N 168 116.914 116.914 120.791 -3.877 18389 13660 1 15 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.680 0.309 18389 13661 1 15 . 1 1 168 168 ILE C C 168 173.923 173.923 174.149 -0.226 18389 13662 1 15 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.505 -1.129 18389 13663 1 15 . 1 1 168 168 ILE CB C 168 38.938 38.938 40.946 -2.008 18389 13664 1 15 . 1 1 168 168 ILE H H 168 8.523 8.523 8.433 0.090 18389 13665 1 15 . 1 1 169 169 GLY N N 169 114.527 114.527 114.030 0.497 18389 13666 1 15 . 1 1 169 169 GLY C C 169 169.252 169.252 171.502 -2.250 18389 13667 1 15 . 1 1 169 169 GLY CA C 169 42.925 42.925 45.193 -2.268 18389 13668 1 15 . 1 1 169 169 GLY H H 169 8.942 8.942 7.609 1.333 18389 13669 1 15 . 1 1 170 170 ALA N N 170 123.678 123.678 122.395 1.283 18389 13670 1 15 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.609 -0.185 18389 13671 1 15 . 1 1 170 170 ALA C C 170 174.985 174.985 177.339 -2.354 18389 13672 1 15 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.546 -2.202 18389 13673 1 15 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.580 -3.493 18389 13674 1 15 . 1 1 170 170 ALA H H 170 8.321 8.321 8.669 -0.348 18389 13675 1 15 . 1 1 171 171 LEU N N 171 122.139 122.139 121.734 0.405 18389 13676 1 15 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.504 -0.099 18389 13677 1 15 . 1 1 171 171 LEU C C 171 174.478 174.478 176.066 -1.588 18389 13678 1 15 . 1 1 171 171 LEU CA C 171 52.634 52.634 55.701 -3.067 18389 13679 1 15 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.267 -1.156 18389 13680 1 15 . 1 1 171 171 LEU H H 171 8.182 8.182 8.707 -0.525 18389 13681 1 16 . 1 1 2 2 ALA N N 2 119.048 119.048 124.195 -5.147 18389 13682 1 16 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.656 -0.372 18389 13683 1 16 . 1 1 2 2 ALA C C 2 174.144 174.144 176.552 -2.408 18389 13684 1 16 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.806 -3.423 18389 13685 1 16 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.587 0.242 18389 13686 1 16 . 1 1 2 2 ALA H H 2 9.577 9.577 8.484 1.093 18389 13687 1 16 . 1 1 3 3 SER N N 3 114.278 114.278 115.841 -1.563 18389 13688 1 16 . 1 1 3 3 SER C C 3 173.040 173.040 173.339 -0.299 18389 13689 1 16 . 1 1 3 3 SER H H 3 8.152 8.152 8.420 -0.268 18389 13690 1 16 . 1 1 6 6 GLY N N 6 112.362 112.362 108.711 3.651 18389 13691 1 16 . 1 1 6 6 GLY C C 6 170.686 170.686 173.677 -2.991 18389 13692 1 16 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.477 -2.164 18389 13693 1 16 . 1 1 6 6 GLY H H 6 8.750 8.750 8.739 0.011 18389 13694 1 16 . 1 1 7 7 GLU N N 7 117.722 117.722 117.606 0.116 18389 13695 1 16 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.634 -0.205 18389 13696 1 16 . 1 1 7 7 GLU C C 7 172.744 172.744 174.945 -2.201 18389 13697 1 16 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.723 -2.475 18389 13698 1 16 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.196 -2.026 18389 13699 1 16 . 1 1 7 7 GLU H H 7 8.078 8.078 7.972 0.106 18389 13700 1 16 . 1 1 8 8 LYS N N 8 122.832 122.832 121.644 1.188 18389 13701 1 16 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.678 -0.139 18389 13702 1 16 . 1 1 8 8 LYS C C 8 171.963 171.963 174.870 -2.907 18389 13703 1 16 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.868 -2.303 18389 13704 1 16 . 1 1 8 8 LYS CB C 8 33.185 33.185 35.204 -2.019 18389 13705 1 16 . 1 1 8 8 LYS H H 8 8.434 8.434 8.539 -0.105 18389 13706 1 16 . 1 1 9 9 MET N N 9 128.562 128.562 124.230 4.332 18389 13707 1 16 . 1 1 9 9 MET HA H 9 4.536 4.536 4.335 0.201 18389 13708 1 16 . 1 1 9 9 MET C C 9 172.911 172.911 175.494 -2.583 18389 13709 1 16 . 1 1 9 9 MET CA C 9 53.012 53.012 55.209 -2.196 18389 13710 1 16 . 1 1 9 9 MET CB C 9 28.376 28.376 32.822 -4.446 18389 13711 1 16 . 1 1 9 9 MET H H 9 8.984 8.984 8.561 0.423 18389 13712 1 16 . 1 1 10 10 LEU N N 10 129.881 129.881 125.905 3.976 18389 13713 1 16 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.525 0.139 18389 13714 1 16 . 1 1 10 10 LEU C C 10 174.887 174.887 177.460 -2.573 18389 13715 1 16 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.763 -2.550 18389 13716 1 16 . 1 1 10 10 LEU CB C 10 40.399 40.399 42.826 -2.427 18389 13717 1 16 . 1 1 10 10 LEU H H 10 9.751 9.751 8.948 0.803 18389 13718 1 16 . 1 1 11 11 ASP N N 11 115.516 115.516 117.610 -2.094 18389 13719 1 16 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.844 -0.121 18389 13720 1 16 . 1 1 11 11 ASP C C 11 170.836 170.836 174.138 -3.302 18389 13721 1 16 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.758 -0.175 18389 13722 1 16 . 1 1 11 11 ASP CB C 11 40.219 40.219 44.665 -4.446 18389 13723 1 16 . 1 1 11 11 ASP H H 11 8.110 8.110 7.626 0.484 18389 13724 1 16 . 1 1 12 12 ASP N N 12 124.144 124.144 119.700 4.444 18389 13725 1 16 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.760 0.091 18389 13726 1 16 . 1 1 12 12 ASP C C 12 175.055 175.055 175.913 -0.858 18389 13727 1 16 . 1 1 12 12 ASP CA C 12 50.310 50.310 53.339 -3.029 18389 13728 1 16 . 1 1 12 12 ASP CB C 12 38.195 38.195 42.187 -3.992 18389 13729 1 16 . 1 1 12 12 ASP H H 12 8.053 8.053 8.587 -0.534 18389 13730 1 16 . 1 1 13 13 PHE N N 13 117.584 117.584 115.439 2.145 18389 13731 1 16 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.145 0.127 18389 13732 1 16 . 1 1 13 13 PHE C C 13 171.960 171.960 175.431 -3.471 18389 13733 1 16 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.410 -0.497 18389 13734 1 16 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.992 -4.817 18389 13735 1 16 . 1 1 13 13 PHE H H 13 9.327 9.327 8.069 1.258 18389 13736 1 16 . 1 1 14 14 GLU N N 14 113.122 113.122 118.606 -5.484 18389 13737 1 16 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.199 0.850 18389 13738 1 16 . 1 1 14 14 GLU C C 14 175.300 175.300 177.464 -2.164 18389 13739 1 16 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.118 -5.137 18389 13740 1 16 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.810 -4.816 18389 13741 1 16 . 1 1 14 14 GLU H H 14 8.165 8.165 8.363 -0.198 18389 13742 1 16 . 1 1 15 15 GLY N N 15 110.108 110.108 109.665 0.443 18389 13743 1 16 . 1 1 15 15 GLY C C 15 171.609 171.609 174.132 -2.523 18389 13744 1 16 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.066 -2.212 18389 13745 1 16 . 1 1 15 15 GLY H H 15 8.117 8.117 7.837 0.280 18389 13746 1 16 . 1 1 16 16 VAL N N 16 121.792 121.792 120.601 1.191 18389 13747 1 16 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.093 0.178 18389 13748 1 16 . 1 1 16 16 VAL C C 16 173.203 173.203 175.926 -2.723 18389 13749 1 16 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.317 -3.034 18389 13750 1 16 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.287 -2.086 18389 13751 1 16 . 1 1 16 16 VAL H H 16 8.190 8.190 8.241 -0.051 18389 13752 1 16 . 1 1 17 17 LEU N N 17 124.682 124.682 128.705 -4.023 18389 13753 1 16 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.591 0.307 18389 13754 1 16 . 1 1 17 17 LEU C C 17 174.685 174.685 176.605 -1.920 18389 13755 1 16 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.334 -2.536 18389 13756 1 16 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.366 -3.230 18389 13757 1 16 . 1 1 17 17 LEU H H 17 8.500 8.500 8.535 -0.035 18389 13758 1 16 . 1 1 18 18 ASN N N 18 127.589 127.589 124.698 2.891 18389 13759 1 16 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.945 0.202 18389 13760 1 16 . 1 1 18 18 ASN C C 18 171.583 171.583 173.478 -1.895 18389 13761 1 16 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.359 -1.383 18389 13762 1 16 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.566 -1.423 18389 13763 1 16 . 1 1 18 18 ASN H H 18 9.956 9.956 9.073 0.883 18389 13764 1 16 . 1 1 19 19 TRP N N 19 119.913 119.913 120.030 -0.117 18389 13765 1 16 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.353 -0.295 18389 13766 1 16 . 1 1 19 19 TRP C C 19 174.918 174.918 176.744 -1.826 18389 13767 1 16 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.081 -0.705 18389 13768 1 16 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.882 -4.482 18389 13769 1 16 . 1 1 19 19 TRP H H 19 7.057 7.057 8.151 -1.094 18389 13770 1 16 . 1 1 20 20 GLY N N 20 112.934 112.934 112.597 0.337 18389 13771 1 16 . 1 1 20 20 GLY C C 20 171.436 171.436 174.074 -2.638 18389 13772 1 16 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.352 -3.412 18389 13773 1 16 . 1 1 20 20 GLY H H 20 9.622 9.622 9.120 0.502 18389 13774 1 16 . 1 1 21 21 SER N N 21 114.752 114.752 121.927 -7.175 18389 13775 1 16 . 1 1 21 21 SER HA H 21 5.686 5.686 4.968 0.718 18389 13776 1 16 . 1 1 21 21 SER C C 21 170.314 170.314 174.023 -3.709 18389 13777 1 16 . 1 1 21 21 SER CA C 21 55.911 55.911 58.827 -2.916 18389 13778 1 16 . 1 1 21 21 SER CB C 21 64.070 64.070 64.330 -0.260 18389 13779 1 16 . 1 1 21 21 SER H H 21 8.899 8.899 8.226 0.673 18389 13780 1 16 . 1 1 22 22 TYR N N 22 118.001 118.001 119.524 -1.523 18389 13781 1 16 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.893 0.407 18389 13782 1 16 . 1 1 22 22 TYR C C 22 170.760 170.760 173.237 -2.477 18389 13783 1 16 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.176 -2.526 18389 13784 1 16 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.412 -2.588 18389 13785 1 16 . 1 1 22 22 TYR H H 22 8.807 8.807 8.666 0.141 18389 13786 1 16 . 1 1 23 23 SER N N 23 109.826 109.826 115.377 -5.551 18389 13787 1 16 . 1 1 23 23 SER HA H 23 4.912 4.912 5.107 -0.195 18389 13788 1 16 . 1 1 23 23 SER C C 23 169.918 169.918 174.024 -4.106 18389 13789 1 16 . 1 1 23 23 SER CA C 23 55.664 55.664 57.122 -1.458 18389 13790 1 16 . 1 1 23 23 SER CB C 23 62.361 62.361 66.328 -3.967 18389 13791 1 16 . 1 1 23 23 SER H H 23 8.435 8.435 8.427 0.008 18389 13792 1 16 . 1 1 24 24 GLY N N 24 103.788 103.788 109.058 -5.270 18389 13793 1 16 . 1 1 24 24 GLY C C 24 170.240 170.240 173.627 -3.387 18389 13794 1 16 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.115 -2.349 18389 13795 1 16 . 1 1 24 24 GLY H H 24 7.339 7.339 7.654 -0.315 18389 13796 1 16 . 1 1 25 25 GLU N N 25 116.420 116.420 118.792 -2.372 18389 13797 1 16 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.477 -0.368 18389 13798 1 16 . 1 1 25 25 GLU C C 25 173.683 173.683 176.285 -2.602 18389 13799 1 16 . 1 1 25 25 GLU CA C 25 53.687 53.687 55.361 -1.674 18389 13800 1 16 . 1 1 25 25 GLU CB C 25 25.146 25.146 31.325 -6.179 18389 13801 1 16 . 1 1 25 25 GLU H H 25 8.962 8.962 7.526 1.436 18389 13802 1 16 . 1 1 26 26 GLY N N 26 106.660 106.660 112.157 -5.497 18389 13803 1 16 . 1 1 26 26 GLY C C 26 171.638 171.638 173.957 -2.319 18389 13804 1 16 . 1 1 26 26 GLY CA C 26 43.173 43.173 45.747 -2.574 18389 13805 1 16 . 1 1 26 26 GLY H H 26 8.483 8.483 8.713 -0.230 18389 13806 1 16 . 1 1 27 27 ALA N N 27 123.407 123.407 123.507 -0.100 18389 13807 1 16 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.438 0.209 18389 13808 1 16 . 1 1 27 27 ALA C C 27 174.232 174.232 175.731 -1.499 18389 13809 1 16 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.215 -1.652 18389 13810 1 16 . 1 1 27 27 ALA CB C 27 17.538 17.538 21.076 -3.538 18389 13811 1 16 . 1 1 27 27 ALA H H 27 7.182 7.182 7.873 -0.691 18389 13812 1 16 . 1 1 28 28 LYS N N 28 117.590 117.590 120.606 -3.016 18389 13813 1 16 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.568 0.324 18389 13814 1 16 . 1 1 28 28 LYS C C 28 171.365 171.365 175.407 -4.042 18389 13815 1 16 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.138 -2.719 18389 13816 1 16 . 1 1 28 28 LYS CB C 28 34.544 34.544 34.755 -0.211 18389 13817 1 16 . 1 1 28 28 LYS H H 28 8.650 8.650 8.656 -0.006 18389 13818 1 16 . 1 1 29 29 VAL N N 29 118.148 118.148 125.736 -7.588 18389 13819 1 16 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.183 1.058 18389 13820 1 16 . 1 1 29 29 VAL C C 29 169.809 169.809 174.767 -4.958 18389 13821 1 16 . 1 1 29 29 VAL CA C 29 57.083 57.083 61.428 -4.345 18389 13822 1 16 . 1 1 29 29 VAL CB C 29 31.475 31.475 33.108 -1.633 18389 13823 1 16 . 1 1 29 29 VAL H H 29 8.327 8.327 8.816 -0.489 18389 13824 1 16 . 1 1 30 30 SER N N 30 120.964 120.964 122.625 -1.661 18389 13825 1 16 . 1 1 30 30 SER HA H 30 4.993 4.993 4.816 0.177 18389 13826 1 16 . 1 1 30 30 SER C C 30 170.354 170.354 172.246 -1.892 18389 13827 1 16 . 1 1 30 30 SER CA C 30 54.438 54.438 57.880 -3.442 18389 13828 1 16 . 1 1 30 30 SER CB C 30 63.262 63.262 65.775 -2.513 18389 13829 1 16 . 1 1 30 30 SER H H 30 8.797 8.797 8.318 0.479 18389 13830 1 16 . 1 1 31 31 THR N N 31 112.970 112.970 119.368 -6.398 18389 13831 1 16 . 1 1 31 31 THR HA H 31 5.618 5.618 4.990 0.628 18389 13832 1 16 . 1 1 31 31 THR C C 31 171.857 171.857 173.837 -1.980 18389 13833 1 16 . 1 1 31 31 THR CA C 31 56.212 56.212 60.923 -4.712 18389 13834 1 16 . 1 1 31 31 THR CB C 31 69.719 69.719 70.595 -0.876 18389 13835 1 16 . 1 1 31 31 THR H H 31 8.384 8.384 8.312 0.072 18389 13836 1 16 . 1 1 32 32 LYS N N 32 119.710 119.710 125.217 -5.507 18389 13837 1 16 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.660 0.066 18389 13838 1 16 . 1 1 32 32 LYS C C 32 171.734 171.734 174.805 -3.071 18389 13839 1 16 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.751 -1.778 18389 13840 1 16 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.260 -2.166 18389 13841 1 16 . 1 1 32 32 LYS H H 32 8.530 8.530 8.774 -0.244 18389 13842 1 16 . 1 1 33 33 ILE N N 33 124.276 124.276 123.056 1.220 18389 13843 1 16 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.747 0.227 18389 13844 1 16 . 1 1 33 33 ILE C C 33 173.578 173.578 175.748 -2.170 18389 13845 1 16 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.382 -2.943 18389 13846 1 16 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.611 -5.148 18389 13847 1 16 . 1 1 33 33 ILE H H 33 8.669 8.669 8.410 0.259 18389 13848 1 16 . 1 1 34 34 VAL N N 34 121.698 121.698 124.833 -3.135 18389 13849 1 16 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.671 0.196 18389 13850 1 16 . 1 1 34 34 VAL C C 34 172.702 172.702 174.764 -2.062 18389 13851 1 16 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.017 -2.358 18389 13852 1 16 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.542 -0.633 18389 13853 1 16 . 1 1 34 34 VAL H H 34 8.463 8.463 8.652 -0.189 18389 13854 1 16 . 1 1 35 35 SER N N 35 115.704 115.704 116.579 -0.875 18389 13855 1 16 . 1 1 35 35 SER HA H 35 4.590 4.590 4.962 -0.372 18389 13856 1 16 . 1 1 35 35 SER CA C 35 58.345 58.345 58.374 -0.029 18389 13857 1 16 . 1 1 35 35 SER CB C 35 60.619 60.619 63.622 -3.003 18389 13858 1 16 . 1 1 35 35 SER H H 35 8.271 8.271 8.367 -0.096 18389 13859 1 16 . 1 1 36 36 GLY N N 36 113.970 113.970 112.619 1.351 18389 13860 1 16 . 1 1 36 36 GLY C C 36 170.257 170.257 172.750 -2.493 18389 13861 1 16 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.143 -2.445 18389 13862 1 16 . 1 1 36 36 GLY H H 36 9.267 9.267 8.374 0.893 18389 13863 1 16 . 1 1 37 37 LYS N N 37 129.227 129.227 117.265 11.962 18389 13864 1 16 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.632 -0.277 18389 13865 1 16 . 1 1 37 37 LYS C C 37 174.912 174.912 176.729 -1.817 18389 13866 1 16 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.866 -2.311 18389 13867 1 16 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.296 -2.887 18389 13868 1 16 . 1 1 37 37 LYS H H 37 8.484 8.484 7.330 1.154 18389 13869 1 16 . 1 1 38 38 THR N N 38 109.924 109.924 110.093 -0.169 18389 13870 1 16 . 1 1 38 38 THR HA H 38 4.398 4.398 4.495 -0.097 18389 13871 1 16 . 1 1 38 38 THR C C 38 171.818 171.818 173.960 -2.142 18389 13872 1 16 . 1 1 38 38 THR CA C 38 57.223 57.223 60.563 -3.340 18389 13873 1 16 . 1 1 38 38 THR CB C 38 67.805 67.805 70.742 -2.937 18389 13874 1 16 . 1 1 38 38 THR H H 38 7.549 7.549 7.817 -0.268 18389 13875 1 16 . 1 1 40 40 ASN N N 40 129.674 129.674 123.875 5.799 18389 13876 1 16 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.270 0.253 18389 13877 1 16 . 1 1 40 40 ASN C C 40 173.717 173.717 175.670 -1.953 18389 13878 1 16 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.762 -2.440 18389 13879 1 16 . 1 1 40 40 ASN CB C 40 38.188 38.188 39.563 -1.375 18389 13880 1 16 . 1 1 40 40 ASN H H 40 10.958 10.958 8.732 2.226 18389 13881 1 16 . 1 1 41 41 GLY N N 41 111.261 111.261 106.173 5.088 18389 13882 1 16 . 1 1 41 41 GLY C C 41 166.652 166.652 172.181 -5.529 18389 13883 1 16 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.968 -2.257 18389 13884 1 16 . 1 1 41 41 GLY H H 41 9.674 9.674 8.715 0.959 18389 13885 1 16 . 1 1 42 42 MET N N 42 119.165 119.165 119.921 -0.756 18389 13886 1 16 . 1 1 42 42 MET HA H 42 4.849 4.849 5.046 -0.197 18389 13887 1 16 . 1 1 42 42 MET C C 42 171.154 171.154 173.575 -2.421 18389 13888 1 16 . 1 1 42 42 MET CA C 42 51.503 51.503 53.059 -1.556 18389 13889 1 16 . 1 1 42 42 MET CB C 42 33.293 33.293 35.007 -1.714 18389 13890 1 16 . 1 1 42 42 MET H H 42 7.550 7.550 8.343 -0.793 18389 13891 1 16 . 1 1 43 43 GLU N N 43 128.221 128.221 127.981 0.240 18389 13892 1 16 . 1 1 43 43 GLU HA H 43 4.866 4.866 4.756 0.110 18389 13893 1 16 . 1 1 43 43 GLU C C 43 172.612 172.612 173.946 -1.334 18389 13894 1 16 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.791 -3.112 18389 13895 1 16 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.092 -2.696 18389 13896 1 16 . 1 1 43 43 GLU H H 43 9.355 9.355 8.806 0.549 18389 13897 1 16 . 1 1 44 44 VAL N N 44 131.011 131.011 126.609 4.402 18389 13898 1 16 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.944 -0.582 18389 13899 1 16 . 1 1 44 44 VAL C C 44 171.752 171.752 173.077 -1.325 18389 13900 1 16 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.425 -1.090 18389 13901 1 16 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.329 -6.379 18389 13902 1 16 . 1 1 44 44 VAL H H 44 9.002 9.002 8.694 0.308 18389 13903 1 16 . 1 1 45 45 SER N N 45 120.764 120.764 123.783 -3.019 18389 13904 1 16 . 1 1 45 45 SER HA H 45 4.975 4.975 5.559 -0.584 18389 13905 1 16 . 1 1 45 45 SER C C 45 170.500 170.500 172.836 -2.336 18389 13906 1 16 . 1 1 45 45 SER CA C 45 53.547 53.547 56.871 -3.324 18389 13907 1 16 . 1 1 45 45 SER CB C 45 61.650 61.650 66.040 -4.390 18389 13908 1 16 . 1 1 45 45 SER H H 45 8.511 8.511 8.706 -0.195 18389 13909 1 16 . 1 1 46 46 TYR N N 46 123.478 123.478 119.856 3.622 18389 13910 1 16 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.581 -0.306 18389 13911 1 16 . 1 1 46 46 TYR C C 46 171.644 171.644 173.960 -2.316 18389 13912 1 16 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.860 -3.625 18389 13913 1 16 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.286 -3.821 18389 13914 1 16 . 1 1 46 46 TYR H H 46 8.511 8.511 9.230 -0.719 18389 13915 1 16 . 1 1 47 47 THR N N 47 118.641 118.641 119.197 -0.556 18389 13916 1 16 . 1 1 47 47 THR HA H 47 4.793 4.793 4.254 0.539 18389 13917 1 16 . 1 1 47 47 THR C C 47 171.614 171.614 174.367 -2.753 18389 13918 1 16 . 1 1 47 47 THR CA C 47 58.267 58.267 62.501 -4.234 18389 13919 1 16 . 1 1 47 47 THR CB C 47 68.820 68.820 69.243 -0.423 18389 13920 1 16 . 1 1 47 47 THR H H 47 8.935 8.935 8.223 0.712 18389 13921 1 16 . 1 1 48 48 GLY N N 48 112.467 112.467 111.821 0.646 18389 13922 1 16 . 1 1 48 48 GLY C C 48 170.521 170.521 171.903 -1.382 18389 13923 1 16 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.434 -1.358 18389 13924 1 16 . 1 1 48 48 GLY H H 48 7.723 7.723 7.887 -0.164 18389 13925 1 16 . 1 1 49 49 THR N N 49 106.823 106.823 111.680 -4.857 18389 13926 1 16 . 1 1 49 49 THR HA H 49 4.913 4.913 4.461 0.452 18389 13927 1 16 . 1 1 49 49 THR C C 49 172.529 172.529 175.264 -2.735 18389 13928 1 16 . 1 1 49 49 THR CA C 49 57.385 57.385 59.797 -2.412 18389 13929 1 16 . 1 1 49 49 THR CB C 49 69.609 69.609 70.431 -0.822 18389 13930 1 16 . 1 1 49 49 THR H H 49 8.019 8.019 6.887 1.132 18389 13931 1 16 . 1 1 51 51 ASP N N 51 118.095 118.095 120.858 -2.763 18389 13932 1 16 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.875 0.129 18389 13933 1 16 . 1 1 51 51 ASP C C 51 172.913 172.913 176.469 -3.556 18389 13934 1 16 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.598 -2.353 18389 13935 1 16 . 1 1 51 51 ASP CB C 51 38.770 38.770 42.424 -3.654 18389 13936 1 16 . 1 1 51 51 ASP H H 51 8.613 8.613 7.809 0.804 18389 13937 1 16 . 1 1 52 52 GLY N N 52 107.075 107.075 108.187 -1.112 18389 13938 1 16 . 1 1 52 52 GLY C C 52 169.748 169.748 172.691 -2.943 18389 13939 1 16 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.197 -2.291 18389 13940 1 16 . 1 1 52 52 GLY H H 52 7.651 7.651 7.633 0.018 18389 13941 1 16 . 1 1 53 53 TYR N N 53 112.556 112.556 115.354 -2.798 18389 13942 1 16 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.326 -0.705 18389 13943 1 16 . 1 1 53 53 TYR C C 53 169.219 169.219 173.389 -4.170 18389 13944 1 16 . 1 1 53 53 TYR CA C 53 52.106 52.106 55.959 -3.853 18389 13945 1 16 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.179 -1.149 18389 13946 1 16 . 1 1 53 53 TYR H H 53 6.918 6.918 7.749 -0.831 18389 13947 1 16 . 1 1 54 54 TRP N N 54 112.748 112.748 119.515 -6.767 18389 13948 1 16 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.625 -0.246 18389 13949 1 16 . 1 1 54 54 TRP C C 54 171.085 171.085 174.414 -3.329 18389 13950 1 16 . 1 1 54 54 TRP CA C 54 52.260 52.260 56.334 -4.074 18389 13951 1 16 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.823 -2.848 18389 13952 1 16 . 1 1 54 54 TRP H H 54 6.406 6.406 7.825 -1.419 18389 13953 1 16 . 1 1 55 55 GLY N N 55 108.552 108.552 107.294 1.258 18389 13954 1 16 . 1 1 55 55 GLY C C 55 168.023 168.023 171.527 -3.504 18389 13955 1 16 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.690 -2.242 18389 13956 1 16 . 1 1 55 55 GLY H H 55 8.689 8.689 8.696 -0.007 18389 13957 1 16 . 1 1 56 56 THR N N 56 113.376 113.376 113.637 -0.261 18389 13958 1 16 . 1 1 56 56 THR HA H 56 5.868 5.868 4.856 1.012 18389 13959 1 16 . 1 1 56 56 THR C C 56 170.376 170.376 172.506 -2.130 18389 13960 1 16 . 1 1 56 56 THR CA C 56 57.238 57.238 60.827 -3.589 18389 13961 1 16 . 1 1 56 56 THR CB C 56 69.053 69.053 71.619 -2.566 18389 13962 1 16 . 1 1 56 56 THR H H 56 9.518 9.518 8.528 0.990 18389 13963 1 16 . 1 1 57 57 VAL N N 57 123.361 123.361 126.420 -3.059 18389 13964 1 16 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.437 1.016 18389 13965 1 16 . 1 1 57 57 VAL C C 57 169.082 169.082 174.749 -5.667 18389 13966 1 16 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.236 -5.187 18389 13967 1 16 . 1 1 57 57 VAL CB C 57 33.347 33.347 33.858 -0.511 18389 13968 1 16 . 1 1 57 57 VAL H H 57 8.956 8.956 8.559 0.397 18389 13969 1 16 . 1 1 58 58 TYR N N 58 131.224 131.224 129.761 1.463 18389 13970 1 16 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.145 0.431 18389 13971 1 16 . 1 1 58 58 TYR C C 58 172.050 172.050 173.814 -1.764 18389 13972 1 16 . 1 1 58 58 TYR CA C 58 51.582 51.582 55.203 -3.622 18389 13973 1 16 . 1 1 58 58 TYR CB C 58 34.961 34.961 38.037 -3.076 18389 13974 1 16 . 1 1 58 58 TYR H H 58 8.641 8.641 8.861 -0.220 18389 13975 1 16 . 1 1 59 59 SER N N 59 123.126 123.126 124.735 -1.609 18389 13976 1 16 . 1 1 59 59 SER HA H 59 4.304 4.304 4.399 -0.095 18389 13977 1 16 . 1 1 59 59 SER C C 59 170.891 170.891 173.512 -2.621 18389 13978 1 16 . 1 1 59 59 SER CA C 59 55.452 55.452 56.069 -0.617 18389 13979 1 16 . 1 1 59 59 SER CB C 59 60.048 60.048 62.650 -2.602 18389 13980 1 16 . 1 1 59 59 SER H H 59 8.217 8.217 8.459 -0.242 18389 13981 1 16 . 1 1 60 60 LEU N N 60 126.809 126.809 124.541 2.268 18389 13982 1 16 . 1 1 60 60 LEU HA H 60 4.253 4.253 3.905 0.348 18389 13983 1 16 . 1 1 60 60 LEU C C 60 173.994 173.994 175.659 -1.665 18389 13984 1 16 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.402 -3.352 18389 13985 1 16 . 1 1 60 60 LEU CB C 60 39.357 39.357 40.266 -0.909 18389 13986 1 16 . 1 1 60 60 LEU H H 60 7.838 7.838 6.915 0.923 18389 13987 1 16 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.207 0.366 18389 13988 1 16 . 1 1 61 61 PRO C C 61 173.514 173.514 176.160 -2.646 18389 13989 1 16 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.816 -3.564 18389 13990 1 16 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.065 -2.750 18389 13991 1 16 . 1 1 62 62 ASP N N 62 115.943 115.943 115.992 -0.049 18389 13992 1 16 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.701 0.138 18389 13993 1 16 . 1 1 62 62 ASP C C 62 172.949 172.949 175.356 -2.407 18389 13994 1 16 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.855 -3.149 18389 13995 1 16 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.832 -2.801 18389 13996 1 16 . 1 1 62 62 ASP H H 62 7.018 7.018 7.562 -0.544 18389 13997 1 16 . 1 1 63 63 GLY N N 63 112.680 112.680 110.714 1.966 18389 13998 1 16 . 1 1 63 63 GLY C C 63 170.273 170.273 172.282 -2.009 18389 13999 1 16 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.391 -1.390 18389 14000 1 16 . 1 1 63 63 GLY H H 63 8.417 8.417 8.569 -0.152 18389 14001 1 16 . 1 1 64 64 ASP N N 64 115.221 115.221 121.028 -5.807 18389 14002 1 16 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.819 0.474 18389 14003 1 16 . 1 1 64 64 ASP C C 64 174.354 174.354 175.110 -0.756 18389 14004 1 16 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.468 -2.201 18389 14005 1 16 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.551 -4.211 18389 14006 1 16 . 1 1 64 64 ASP H H 64 7.766 7.766 7.437 0.329 18389 14007 1 16 . 1 1 65 65 TRP N N 65 130.747 130.747 123.553 7.194 18389 14008 1 16 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.241 0.190 18389 14009 1 16 . 1 1 65 65 TRP C C 65 173.930 173.930 176.750 -2.820 18389 14010 1 16 . 1 1 65 65 TRP CA C 65 52.044 52.044 55.779 -3.735 18389 14011 1 16 . 1 1 65 65 TRP CB C 65 26.607 26.607 28.976 -2.369 18389 14012 1 16 . 1 1 65 65 TRP H H 65 9.687 9.687 8.349 1.338 18389 14013 1 16 . 1 1 66 66 SER N N 66 114.151 114.151 118.335 -4.184 18389 14014 1 16 . 1 1 66 66 SER HA H 66 4.041 4.041 4.107 -0.066 18389 14015 1 16 . 1 1 66 66 SER CA C 66 59.812 59.812 61.584 -1.772 18389 14016 1 16 . 1 1 66 66 SER CB C 66 60.892 60.892 63.084 -2.192 18389 14017 1 16 . 1 1 66 66 SER H H 66 8.568 8.568 8.039 0.529 18389 14018 1 16 . 1 1 70 70 LYS N N 70 117.090 117.090 116.925 0.165 18389 14019 1 16 . 1 1 70 70 LYS HA H 70 4.398 4.398 5.141 -0.743 18389 14020 1 16 . 1 1 70 70 LYS C C 70 170.030 170.030 175.910 -5.880 18389 14021 1 16 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.624 -3.765 18389 14022 1 16 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.820 -1.864 18389 14023 1 16 . 1 1 70 70 LYS H H 70 8.308 8.308 7.974 0.334 18389 14024 1 16 . 1 1 71 71 ILE N N 71 118.764 118.764 117.127 1.637 18389 14025 1 16 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.657 0.557 18389 14026 1 16 . 1 1 71 71 ILE C C 71 169.396 169.396 175.906 -6.510 18389 14027 1 16 . 1 1 71 71 ILE CA C 71 55.333 55.333 60.784 -5.451 18389 14028 1 16 . 1 1 71 71 ILE CB C 71 39.646 39.646 38.451 1.195 18389 14029 1 16 . 1 1 71 71 ILE H H 71 7.816 7.816 8.054 -0.238 18389 14030 1 16 . 1 1 72 72 SER N N 72 120.952 120.952 113.783 7.169 18389 14031 1 16 . 1 1 72 72 SER HA H 72 5.852 5.852 5.211 0.641 18389 14032 1 16 . 1 1 72 72 SER C C 72 170.208 170.208 173.542 -3.334 18389 14033 1 16 . 1 1 72 72 SER CA C 72 52.457 52.457 56.333 -3.876 18389 14034 1 16 . 1 1 72 72 SER CB C 72 64.125 64.125 66.224 -2.099 18389 14035 1 16 . 1 1 72 72 SER H H 72 9.237 9.237 8.451 0.786 18389 14036 1 16 . 1 1 73 73 PHE N N 73 117.161 117.161 118.190 -1.029 18389 14037 1 16 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.791 -0.420 18389 14038 1 16 . 1 1 73 73 PHE C C 73 170.381 170.381 174.410 -4.029 18389 14039 1 16 . 1 1 73 73 PHE CA C 73 53.797 53.797 54.418 -0.621 18389 14040 1 16 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.887 -3.315 18389 14041 1 16 . 1 1 73 73 PHE H H 73 8.093 8.093 8.101 -0.008 18389 14042 1 16 . 1 1 74 74 ASP N N 74 120.210 120.210 122.181 -1.971 18389 14043 1 16 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.569 0.585 18389 14044 1 16 . 1 1 74 74 ASP C C 74 173.653 173.653 174.812 -1.159 18389 14045 1 16 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.846 -2.950 18389 14046 1 16 . 1 1 74 74 ASP CB C 74 41.487 41.487 42.962 -1.475 18389 14047 1 16 . 1 1 74 74 ASP H H 74 8.993 8.993 8.849 0.144 18389 14048 1 16 . 1 1 75 75 ILE N N 75 121.051 121.051 126.027 -4.976 18389 14049 1 16 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.112 1.141 18389 14050 1 16 . 1 1 75 75 ILE C C 75 171.229 171.229 172.948 -1.719 18389 14051 1 16 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.589 -2.068 18389 14052 1 16 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.545 -0.024 18389 14053 1 16 . 1 1 75 75 ILE H H 75 9.681 9.681 8.197 1.484 18389 14054 1 16 . 1 1 76 76 LYS N N 76 124.693 124.693 126.336 -1.643 18389 14055 1 16 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.842 -0.011 18389 14056 1 16 . 1 1 76 76 LYS C C 76 172.283 172.283 174.312 -2.029 18389 14057 1 16 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.138 -0.736 18389 14058 1 16 . 1 1 76 76 LYS CB C 76 32.722 32.722 35.306 -2.584 18389 14059 1 16 . 1 1 76 76 LYS H H 76 8.454 8.454 8.711 -0.257 18389 14060 1 16 . 1 1 77 77 SER N N 77 118.916 118.916 114.903 4.013 18389 14061 1 16 . 1 1 77 77 SER HA H 77 4.816 4.816 4.535 0.281 18389 14062 1 16 . 1 1 77 77 SER C C 77 172.741 172.741 175.207 -2.466 18389 14063 1 16 . 1 1 77 77 SER CA C 77 55.341 55.341 59.142 -3.801 18389 14064 1 16 . 1 1 77 77 SER CB C 77 61.792 61.792 63.655 -1.863 18389 14065 1 16 . 1 1 77 77 SER H H 77 9.236 9.236 8.576 0.660 18389 14066 1 16 . 1 1 78 78 VAL N N 78 120.723 120.723 117.149 3.574 18389 14067 1 16 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.470 -0.136 18389 14068 1 16 . 1 1 78 78 VAL C C 78 172.941 172.941 174.750 -1.809 18389 14069 1 16 . 1 1 78 78 VAL CA C 78 59.795 59.795 60.687 -0.892 18389 14070 1 16 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.458 -2.190 18389 14071 1 16 . 1 1 78 78 VAL H H 78 8.132 8.132 8.116 0.016 18389 14072 1 16 . 1 1 79 79 ASP N N 79 119.240 119.240 121.859 -2.619 18389 14073 1 16 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.877 -0.136 18389 14074 1 16 . 1 1 79 79 ASP C C 79 174.199 174.199 176.623 -2.424 18389 14075 1 16 . 1 1 79 79 ASP CA C 79 51.112 51.112 53.429 -2.317 18389 14076 1 16 . 1 1 79 79 ASP CB C 79 39.073 39.073 44.178 -5.105 18389 14077 1 16 . 1 1 79 79 ASP H H 79 8.190 8.190 7.672 0.518 18389 14078 1 16 . 1 1 80 80 GLY N N 80 108.323 108.323 106.556 1.767 18389 14079 1 16 . 1 1 80 80 GLY C C 80 171.858 171.858 174.001 -2.143 18389 14080 1 16 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.414 -2.311 18389 14081 1 16 . 1 1 80 80 GLY H H 80 8.275 8.275 8.544 -0.269 18389 14082 1 16 . 1 1 81 81 SER N N 81 116.291 116.291 115.107 1.184 18389 14083 1 16 . 1 1 81 81 SER HA H 81 4.588 4.588 4.661 -0.073 18389 14084 1 16 . 1 1 81 81 SER C C 81 171.588 171.588 172.699 -1.111 18389 14085 1 16 . 1 1 81 81 SER CA C 81 55.552 55.552 58.156 -2.604 18389 14086 1 16 . 1 1 81 81 SER CB C 81 61.910 61.910 66.008 -4.098 18389 14087 1 16 . 1 1 81 81 SER H H 81 8.201 8.201 7.609 0.592 18389 14088 1 16 . 1 1 82 82 ALA N N 82 128.019 128.019 124.955 3.064 18389 14089 1 16 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.603 0.359 18389 14090 1 16 . 1 1 82 82 ALA C C 82 173.332 173.332 176.348 -3.016 18389 14091 1 16 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.439 -2.360 18389 14092 1 16 . 1 1 82 82 ALA CB C 82 16.570 16.570 18.870 -2.300 18389 14093 1 16 . 1 1 82 82 ALA H H 82 8.613 8.613 8.397 0.216 18389 14094 1 16 . 1 1 83 83 ASN N N 83 119.651 119.651 119.933 -0.282 18389 14095 1 16 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.646 0.416 18389 14096 1 16 . 1 1 83 83 ASN C C 83 170.848 170.848 175.002 -4.154 18389 14097 1 16 . 1 1 83 83 ASN CA C 83 50.760 50.760 53.422 -2.663 18389 14098 1 16 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.238 -0.449 18389 14099 1 16 . 1 1 83 83 ASN H H 83 8.153 8.153 8.139 0.014 18389 14100 1 16 . 1 1 84 84 GLU N N 84 127.150 127.150 120.948 6.202 18389 14101 1 16 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.793 -0.081 18389 14102 1 16 . 1 1 84 84 GLU C C 84 171.647 171.647 176.316 -4.669 18389 14103 1 16 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.922 -2.150 18389 14104 1 16 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.410 -1.710 18389 14105 1 16 . 1 1 84 84 GLU H H 84 8.122 8.122 8.590 -0.468 18389 14106 1 16 . 1 1 85 85 ILE N N 85 117.590 117.590 119.606 -2.016 18389 14107 1 16 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.687 -0.054 18389 14108 1 16 . 1 1 85 85 ILE C C 85 171.902 171.902 173.320 -1.418 18389 14109 1 16 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.152 -1.121 18389 14110 1 16 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.370 -2.118 18389 14111 1 16 . 1 1 85 85 ILE H H 85 8.910 8.910 9.111 -0.201 18389 14112 1 16 . 1 1 86 86 ARG N N 86 116.697 116.697 122.512 -5.815 18389 14113 1 16 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.949 0.447 18389 14114 1 16 . 1 1 86 86 ARG C C 86 171.787 171.787 174.436 -2.649 18389 14115 1 16 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.831 -1.716 18389 14116 1 16 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.047 -0.985 18389 14117 1 16 . 1 1 86 86 ARG H H 86 9.149 9.149 8.289 0.860 18389 14118 1 16 . 1 1 87 87 PHE N N 87 123.607 123.607 124.248 -0.641 18389 14119 1 16 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.217 0.271 18389 14120 1 16 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.160 -2.343 18389 14121 1 16 . 1 1 87 87 PHE CB C 87 40.112 40.112 40.465 -0.353 18389 14122 1 16 . 1 1 87 87 PHE H H 87 9.235 9.235 9.229 0.006 18389 14123 1 16 . 1 1 88 88 MET N N 88 129.893 129.893 116.327 13.566 18389 14124 1 16 . 1 1 88 88 MET HA H 88 5.836 5.836 5.407 0.429 18389 14125 1 16 . 1 1 88 88 MET C C 88 170.768 170.768 175.612 -4.844 18389 14126 1 16 . 1 1 88 88 MET CA C 88 51.118 51.118 54.417 -3.299 18389 14127 1 16 . 1 1 88 88 MET CB C 88 37.224 37.224 36.901 0.323 18389 14128 1 16 . 1 1 88 88 MET H H 88 8.868 8.868 9.048 -0.180 18389 14129 1 16 . 1 1 89 89 ILE N N 89 124.630 124.630 122.842 1.788 18389 14130 1 16 . 1 1 89 89 ILE HA H 89 4.538 4.538 4.655 -0.117 18389 14131 1 16 . 1 1 89 89 ILE C C 89 171.047 171.047 174.330 -3.283 18389 14132 1 16 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.498 -1.527 18389 14133 1 16 . 1 1 89 89 ILE CB C 89 38.920 38.920 41.057 -2.137 18389 14134 1 16 . 1 1 89 89 ILE H H 89 9.258 9.258 8.762 0.496 18389 14135 1 16 . 1 1 90 90 ALA N N 90 128.743 128.743 130.972 -2.229 18389 14136 1 16 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.081 0.585 18389 14137 1 16 . 1 1 90 90 ALA C C 90 176.041 176.041 176.686 -0.645 18389 14138 1 16 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.949 -3.128 18389 14139 1 16 . 1 1 90 90 ALA CB C 90 18.331 18.331 20.436 -2.105 18389 14140 1 16 . 1 1 90 90 ALA H H 90 8.749 8.749 9.129 -0.380 18389 14141 1 16 . 1 1 91 91 GLU N N 91 121.616 121.616 125.591 -3.975 18389 14142 1 16 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.309 0.409 18389 14143 1 16 . 1 1 91 91 GLU C C 91 174.217 174.217 176.750 -2.533 18389 14144 1 16 . 1 1 91 91 GLU CA C 91 53.143 53.143 56.131 -2.988 18389 14145 1 16 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.427 -1.579 18389 14146 1 16 . 1 1 91 91 GLU H H 91 8.749 8.749 8.567 0.182 18389 14147 1 16 . 1 1 92 92 LYS N N 92 117.975 117.975 120.343 -2.368 18389 14148 1 16 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.219 0.150 18389 14149 1 16 . 1 1 92 92 LYS C C 92 174.743 174.743 177.275 -2.532 18389 14150 1 16 . 1 1 92 92 LYS CA C 92 54.360 54.360 57.124 -2.764 18389 14151 1 16 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.138 -2.482 18389 14152 1 16 . 1 1 92 92 LYS H H 92 8.014 8.014 8.057 -0.043 18389 14153 1 16 . 1 1 93 93 SER N N 93 115.092 115.092 115.821 -0.729 18389 14154 1 16 . 1 1 93 93 SER HA H 93 4.215 4.215 4.548 -0.333 18389 14155 1 16 . 1 1 93 93 SER C C 93 174.964 174.964 175.796 -0.832 18389 14156 1 16 . 1 1 93 93 SER CA C 93 53.874 53.874 58.657 -4.783 18389 14157 1 16 . 1 1 93 93 SER CB C 93 61.736 61.736 63.947 -2.211 18389 14158 1 16 . 1 1 93 93 SER H H 93 8.083 8.083 8.719 -0.636 18389 14159 1 16 . 1 1 94 94 ILE N N 94 121.880 121.880 120.530 1.350 18389 14160 1 16 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.250 0.136 18389 14161 1 16 . 1 1 94 94 ILE C C 94 174.020 174.020 176.675 -2.655 18389 14162 1 16 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.264 -1.919 18389 14163 1 16 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.368 -2.367 18389 14164 1 16 . 1 1 94 94 ILE H H 94 9.150 9.150 8.782 0.368 18389 14165 1 16 . 1 1 95 95 ASN N N 95 117.349 117.349 119.800 -2.451 18389 14166 1 16 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.748 0.307 18389 14167 1 16 . 1 1 95 95 ASN C C 95 173.659 173.659 175.991 -2.332 18389 14168 1 16 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.305 -3.918 18389 14169 1 16 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.788 -2.122 18389 14170 1 16 . 1 1 95 95 ASN H H 95 8.163 8.163 7.958 0.205 18389 14171 1 16 . 1 1 96 96 GLY N N 96 106.957 106.957 106.784 0.173 18389 14172 1 16 . 1 1 96 96 GLY C C 96 170.704 170.704 174.759 -4.055 18389 14173 1 16 . 1 1 96 96 GLY CA C 96 43.319 43.319 44.989 -1.670 18389 14174 1 16 . 1 1 96 96 GLY H H 96 7.530 7.530 8.440 -0.910 18389 14175 1 16 . 1 1 97 97 VAL N N 97 119.393 119.393 120.925 -1.532 18389 14176 1 16 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.147 0.207 18389 14177 1 16 . 1 1 97 97 VAL C C 97 173.622 173.622 176.700 -3.078 18389 14178 1 16 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.562 -2.420 18389 14179 1 16 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.108 -2.337 18389 14180 1 16 . 1 1 97 97 VAL H H 97 7.650 7.650 7.466 0.184 18389 14181 1 16 . 1 1 98 98 GLY N N 98 115.075 115.075 108.568 6.507 18389 14182 1 16 . 1 1 98 98 GLY C C 98 170.065 170.065 173.613 -3.548 18389 14183 1 16 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.859 -3.120 18389 14184 1 16 . 1 1 98 98 GLY H H 98 8.712 8.712 8.603 0.109 18389 14185 1 16 . 1 1 99 99 ASP N N 99 119.064 119.064 118.208 0.856 18389 14186 1 16 . 1 1 99 99 ASP HA H 99 4.675 4.675 5.075 -0.400 18389 14187 1 16 . 1 1 99 99 ASP C C 99 172.502 172.502 174.876 -2.374 18389 14188 1 16 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.060 -2.479 18389 14189 1 16 . 1 1 99 99 ASP CB C 99 39.195 39.195 44.367 -5.172 18389 14190 1 16 . 1 1 99 99 ASP H H 99 8.746 8.746 7.361 1.385 18389 14191 1 16 . 1 1 100 100 GLY N N 100 109.333 109.333 107.581 1.752 18389 14192 1 16 . 1 1 100 100 GLY C C 100 167.638 167.638 173.026 -5.388 18389 14193 1 16 . 1 1 100 100 GLY CA C 100 40.109 40.109 43.913 -3.804 18389 14194 1 16 . 1 1 100 100 GLY H H 100 8.285 8.285 8.396 -0.111 18389 14195 1 16 . 1 1 101 101 GLU N N 101 120.835 120.835 122.500 -1.665 18389 14196 1 16 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.307 0.420 18389 14197 1 16 . 1 1 101 101 GLU C C 101 173.652 173.652 175.380 -1.728 18389 14198 1 16 . 1 1 101 101 GLU CA C 101 55.449 55.449 56.690 -1.241 18389 14199 1 16 . 1 1 101 101 GLU CB C 101 31.014 31.014 30.748 0.266 18389 14200 1 16 . 1 1 101 101 GLU H H 101 8.339 8.339 8.554 -0.215 18389 14201 1 16 . 1 1 102 102 HIS N N 102 126.597 126.597 125.911 0.686 18389 14202 1 16 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.111 0.295 18389 14203 1 16 . 1 1 102 102 HIS C C 102 174.479 174.479 173.329 1.150 18389 14204 1 16 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.338 -1.426 18389 14205 1 16 . 1 1 102 102 HIS CB C 102 33.756 33.756 32.777 0.979 18389 14206 1 16 . 1 1 102 102 HIS H H 102 10.029 10.029 9.066 0.963 18389 14207 1 16 . 1 1 103 103 TRP N N 103 125.616 125.616 126.169 -0.553 18389 14208 1 16 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.407 -0.376 18389 14209 1 16 . 1 1 103 103 TRP C C 103 173.236 173.236 174.828 -1.592 18389 14210 1 16 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.070 -1.237 18389 14211 1 16 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.650 -3.460 18389 14212 1 16 . 1 1 103 103 TRP H H 103 9.242 9.242 8.447 0.795 18389 14213 1 16 . 1 1 104 104 VAL N N 104 114.086 114.086 116.983 -2.897 18389 14214 1 16 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.367 0.766 18389 14215 1 16 . 1 1 104 104 VAL C C 104 173.194 173.194 174.532 -1.338 18389 14216 1 16 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.136 -1.807 18389 14217 1 16 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.671 -0.228 18389 14218 1 16 . 1 1 104 104 VAL H H 104 10.273 10.273 9.296 0.977 18389 14219 1 16 . 1 1 105 105 TYR N N 105 123.278 123.278 122.354 0.924 18389 14220 1 16 . 1 1 105 105 TYR HA H 105 4.660 4.660 5.079 -0.419 18389 14221 1 16 . 1 1 105 105 TYR C C 105 172.030 172.030 176.246 -4.216 18389 14222 1 16 . 1 1 105 105 TYR CA C 105 56.722 56.722 55.575 1.147 18389 14223 1 16 . 1 1 105 105 TYR CB C 105 40.973 40.973 40.268 0.705 18389 14224 1 16 . 1 1 105 105 TYR H H 105 9.219 9.219 8.528 0.691 18389 14225 1 16 . 1 1 106 106 SER N N 106 123.619 123.619 113.456 10.163 18389 14226 1 16 . 1 1 106 106 SER HA H 106 5.226 5.226 5.431 -0.205 18389 14227 1 16 . 1 1 106 106 SER C C 106 170.291 170.291 173.160 -2.869 18389 14228 1 16 . 1 1 106 106 SER CA C 106 56.800 56.800 57.361 -0.561 18389 14229 1 16 . 1 1 106 106 SER CB C 106 61.265 61.265 65.460 -4.195 18389 14230 1 16 . 1 1 106 106 SER H H 106 7.768 7.768 8.443 -0.675 18389 14231 1 16 . 1 1 107 107 ILE N N 107 120.192 120.192 123.159 -2.967 18389 14232 1 16 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.575 0.184 18389 14233 1 16 . 1 1 107 107 ILE C C 107 171.471 171.471 173.326 -1.855 18389 14234 1 16 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.579 -3.568 18389 14235 1 16 . 1 1 107 107 ILE CB C 107 39.759 39.759 43.061 -3.302 18389 14236 1 16 . 1 1 107 107 ILE H H 107 8.942 8.942 9.256 -0.314 18389 14237 1 16 . 1 1 108 108 THR N N 108 118.723 118.723 111.549 7.174 18389 14238 1 16 . 1 1 108 108 THR HA H 108 5.017 5.017 5.269 -0.252 18389 14239 1 16 . 1 1 108 108 THR C C 108 170.359 170.359 173.039 -2.680 18389 14240 1 16 . 1 1 108 108 THR CA C 108 56.686 56.686 58.033 -1.347 18389 14241 1 16 . 1 1 108 108 THR CB C 108 67.488 67.488 69.718 -2.229 18389 14242 1 16 . 1 1 108 108 THR H H 108 8.718 8.718 8.281 0.437 18389 14243 1 16 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.663 -0.253 18389 14244 1 16 . 1 1 109 109 PRO C C 109 171.443 171.443 175.835 -4.392 18389 14245 1 16 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.501 -2.677 18389 14246 1 16 . 1 1 109 109 PRO CB C 109 29.978 29.978 32.740 -2.762 18389 14247 1 16 . 1 1 110 110 ASP N N 110 122.785 122.785 118.777 4.008 18389 14248 1 16 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.786 0.362 18389 14249 1 16 . 1 1 110 110 ASP C C 110 174.113 174.113 177.042 -2.929 18389 14250 1 16 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.325 -3.269 18389 14251 1 16 . 1 1 110 110 ASP CB C 110 40.689 40.689 42.907 -2.218 18389 14252 1 16 . 1 1 110 110 ASP H H 110 9.061 9.061 8.260 0.801 18389 14253 1 16 . 1 1 111 111 SER N N 111 112.595 112.595 113.465 -0.870 18389 14254 1 16 . 1 1 111 111 SER HA H 111 4.432 4.432 4.607 -0.175 18389 14255 1 16 . 1 1 111 111 SER CA C 111 58.333 58.333 58.886 -0.553 18389 14256 1 16 . 1 1 111 111 SER CB C 111 61.046 61.046 64.472 -3.426 18389 14257 1 16 . 1 1 111 111 SER H H 111 8.435 8.435 8.475 -0.040 18389 14258 1 16 . 1 1 112 112 SER N N 112 116.615 116.615 115.709 0.906 18389 14259 1 16 . 1 1 112 112 SER HA H 112 4.862 4.862 4.627 0.235 18389 14260 1 16 . 1 1 112 112 SER C C 112 170.519 170.519 173.004 -2.485 18389 14261 1 16 . 1 1 112 112 SER CA C 112 54.017 54.017 57.601 -3.584 18389 14262 1 16 . 1 1 112 112 SER CB C 112 62.948 62.948 65.382 -2.434 18389 14263 1 16 . 1 1 112 112 SER H H 112 8.035 8.035 7.965 0.070 18389 14264 1 16 . 1 1 113 113 TRP N N 113 120.576 120.576 122.277 -1.701 18389 14265 1 16 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.539 0.015 18389 14266 1 16 . 1 1 113 113 TRP C C 113 174.599 174.599 176.811 -2.212 18389 14267 1 16 . 1 1 113 113 TRP CA C 113 56.882 56.882 58.145 -1.264 18389 14268 1 16 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.729 -2.369 18389 14269 1 16 . 1 1 113 113 TRP H H 113 8.318 8.318 8.550 -0.232 18389 14270 1 16 . 1 1 114 114 LYS N N 114 123.372 123.372 125.322 -1.950 18389 14271 1 16 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.520 0.374 18389 14272 1 16 . 1 1 114 114 LYS C C 114 172.772 172.772 175.023 -2.251 18389 14273 1 16 . 1 1 114 114 LYS CA C 114 52.948 52.948 56.057 -3.109 18389 14274 1 16 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.656 -1.406 18389 14275 1 16 . 1 1 114 114 LYS H H 114 8.782 8.782 9.385 -0.603 18389 14276 1 16 . 1 1 115 115 THR N N 115 120.929 120.929 122.273 -1.344 18389 14277 1 16 . 1 1 115 115 THR HA H 115 5.226 5.226 4.633 0.593 18389 14278 1 16 . 1 1 115 115 THR C C 115 171.778 171.778 174.851 -3.073 18389 14279 1 16 . 1 1 115 115 THR CA C 115 59.671 59.671 63.230 -3.559 18389 14280 1 16 . 1 1 115 115 THR CB C 115 66.938 66.938 68.330 -1.392 18389 14281 1 16 . 1 1 115 115 THR H H 115 8.689 8.689 8.570 0.119 18389 14282 1 16 . 1 1 116 116 ILE N N 116 131.929 131.929 129.322 2.607 18389 14283 1 16 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.149 0.035 18389 14284 1 16 . 1 1 116 116 ILE C C 116 171.012 171.012 174.982 -3.970 18389 14285 1 16 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.776 -4.419 18389 14286 1 16 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.411 -3.080 18389 14287 1 16 . 1 1 116 116 ILE H H 116 9.470 9.470 9.108 0.362 18389 14288 1 16 . 1 1 117 117 GLU N N 117 124.514 124.514 128.673 -4.159 18389 14289 1 16 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.463 0.407 18389 14290 1 16 . 1 1 117 117 GLU C C 117 173.332 173.332 175.583 -2.251 18389 14291 1 16 . 1 1 117 117 GLU CA C 117 51.798 51.798 55.912 -4.114 18389 14292 1 16 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.215 0.478 18389 14293 1 16 . 1 1 117 117 GLU H H 117 8.089 8.089 8.415 -0.326 18389 14294 1 16 . 1 1 118 118 ILE N N 118 125.005 125.005 125.741 -0.736 18389 14295 1 16 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.209 0.214 18389 14296 1 16 . 1 1 118 118 ILE C C 118 171.765 171.765 173.766 -2.001 18389 14297 1 16 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.700 -3.061 18389 14298 1 16 . 1 1 118 118 ILE CB C 118 37.429 37.429 38.843 -1.413 18389 14299 1 16 . 1 1 118 118 ILE H H 118 9.322 9.322 7.659 1.663 18389 14300 1 16 . 1 1 119 119 PRO HA H 119 4.837 4.837 5.144 -0.307 18389 14301 1 16 . 1 1 119 119 PRO C C 119 176.780 176.780 178.664 -1.884 18389 14302 1 16 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.643 -2.239 18389 14303 1 16 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.805 -3.740 18389 14304 1 16 . 1 1 120 120 PHE N N 120 124.627 124.627 119.434 5.193 18389 14305 1 16 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.421 0.573 18389 14306 1 16 . 1 1 120 120 PHE C C 120 175.402 175.402 176.874 -1.472 18389 14307 1 16 . 1 1 120 120 PHE CA C 120 59.272 59.272 61.225 -1.953 18389 14308 1 16 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.958 -2.713 18389 14309 1 16 . 1 1 120 120 PHE H H 120 8.160 8.160 8.841 -0.681 18389 14310 1 16 . 1 1 121 121 SER N N 121 110.551 110.551 114.972 -4.421 18389 14311 1 16 . 1 1 121 121 SER HA H 121 4.647 4.647 3.913 0.734 18389 14312 1 16 . 1 1 121 121 SER C C 121 173.187 173.187 175.419 -2.232 18389 14313 1 16 . 1 1 121 121 SER CA C 121 57.359 57.359 60.398 -3.039 18389 14314 1 16 . 1 1 121 121 SER CB C 121 60.639 60.639 62.095 -1.456 18389 14315 1 16 . 1 1 121 121 SER H H 121 8.367 8.367 7.744 0.623 18389 14316 1 16 . 1 1 122 122 SER N N 122 117.166 117.166 117.143 0.023 18389 14317 1 16 . 1 1 122 122 SER HA H 122 4.946 4.946 4.195 0.751 18389 14318 1 16 . 1 1 122 122 SER C C 122 172.296 172.296 173.749 -1.453 18389 14319 1 16 . 1 1 122 122 SER CA C 122 57.525 57.525 60.585 -3.060 18389 14320 1 16 . 1 1 122 122 SER CB C 122 61.716 61.716 63.613 -1.897 18389 14321 1 16 . 1 1 122 122 SER H H 122 8.537 8.537 7.499 1.038 18389 14322 1 16 . 1 1 123 123 PHE N N 123 119.840 119.840 120.728 -0.888 18389 14323 1 16 . 1 1 123 123 PHE HA H 123 4.647 4.647 5.081 -0.434 18389 14324 1 16 . 1 1 123 123 PHE C C 123 173.527 173.527 175.572 -2.045 18389 14325 1 16 . 1 1 123 123 PHE CA C 123 58.778 58.778 58.744 0.034 18389 14326 1 16 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.866 -1.319 18389 14327 1 16 . 1 1 123 123 PHE H H 123 7.807 7.807 7.445 0.362 18389 14328 1 16 . 1 1 124 124 ARG N N 124 120.098 120.098 122.084 -1.986 18389 14329 1 16 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.170 0.171 18389 14330 1 16 . 1 1 124 124 ARG C C 124 172.631 172.631 174.969 -2.338 18389 14331 1 16 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.892 -2.567 18389 14332 1 16 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.301 -2.580 18389 14333 1 16 . 1 1 124 124 ARG H H 124 9.297 9.297 9.081 0.216 18389 14334 1 16 . 1 1 125 125 ARG N N 125 126.739 126.739 122.738 4.001 18389 14335 1 16 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.828 -0.866 18389 14336 1 16 . 1 1 125 125 ARG C C 125 174.319 174.319 176.311 -1.992 18389 14337 1 16 . 1 1 125 125 ARG CA C 125 55.036 55.036 56.137 -1.101 18389 14338 1 16 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.560 -3.212 18389 14339 1 16 . 1 1 125 125 ARG H H 125 8.611 8.611 8.688 -0.077 18389 14340 1 16 . 1 1 126 126 ARG N N 126 126.556 126.556 126.492 0.064 18389 14341 1 16 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.208 -0.244 18389 14342 1 16 . 1 1 126 126 ARG C C 126 174.021 174.021 175.719 -1.698 18389 14343 1 16 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.883 -1.345 18389 14344 1 16 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.171 -0.432 18389 14345 1 16 . 1 1 126 126 ARG H H 126 7.917 7.917 8.345 -0.428 18389 14346 1 16 . 1 1 127 127 LEU N N 127 124.550 124.550 127.239 -2.689 18389 14347 1 16 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.401 0.253 18389 14348 1 16 . 1 1 127 127 LEU C C 127 175.775 175.775 177.482 -1.707 18389 14349 1 16 . 1 1 127 127 LEU CA C 127 53.208 53.208 56.870 -3.663 18389 14350 1 16 . 1 1 127 127 LEU CB C 127 41.378 41.378 41.687 -0.309 18389 14351 1 16 . 1 1 127 127 LEU H H 127 8.817 8.817 8.542 0.275 18389 14352 1 16 . 1 1 128 128 ASP N N 128 116.209 116.209 116.596 -0.387 18389 14353 1 16 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.580 -0.031 18389 14354 1 16 . 1 1 128 128 ASP C C 128 172.491 172.491 175.875 -3.384 18389 14355 1 16 . 1 1 128 128 ASP CA C 128 52.492 52.492 54.956 -2.464 18389 14356 1 16 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.443 -4.861 18389 14357 1 16 . 1 1 128 128 ASP H H 128 9.072 9.072 8.358 0.714 18389 14358 1 16 . 1 1 129 129 TYR N N 129 119.329 119.329 120.172 -0.843 18389 14359 1 16 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.587 -0.234 18389 14360 1 16 . 1 1 129 129 TYR C C 129 169.992 169.992 173.403 -3.411 18389 14361 1 16 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.428 -1.083 18389 14362 1 16 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.326 -1.879 18389 14363 1 16 . 1 1 129 129 TYR H H 129 7.002 7.002 7.594 -0.592 18389 14364 1 16 . 1 1 130 130 GLN N N 130 121.469 121.469 123.462 -1.993 18389 14365 1 16 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.403 -0.494 18389 14366 1 16 . 1 1 130 130 GLN C C 130 170.223 170.223 172.858 -2.635 18389 14367 1 16 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.296 -2.507 18389 14368 1 16 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.359 -1.734 18389 14369 1 16 . 1 1 130 130 GLN H H 130 6.288 6.288 7.915 -1.627 18389 14370 1 16 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.236 0.174 18389 14371 1 16 . 1 1 132 132 PRO C C 132 175.720 175.720 177.187 -1.467 18389 14372 1 16 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.339 -2.266 18389 14373 1 16 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.840 -2.724 18389 14374 1 16 . 1 1 133 133 GLY N N 133 104.558 104.558 107.370 -2.812 18389 14375 1 16 . 1 1 133 133 GLY C C 133 171.229 171.229 174.120 -2.891 18389 14376 1 16 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.857 -1.342 18389 14377 1 16 . 1 1 133 133 GLY H H 133 8.298 8.298 8.494 -0.196 18389 14378 1 16 . 1 1 134 134 GLN N N 134 116.684 116.684 119.880 -3.196 18389 14379 1 16 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.059 0.308 18389 14380 1 16 . 1 1 134 134 GLN C C 134 172.815 172.815 175.067 -2.252 18389 14381 1 16 . 1 1 134 134 GLN CA C 134 53.804 53.804 56.054 -2.250 18389 14382 1 16 . 1 1 134 134 GLN CB C 134 24.866 24.866 28.507 -3.641 18389 14383 1 16 . 1 1 134 134 GLN H H 134 7.273 7.273 7.452 -0.179 18389 14384 1 16 . 1 1 135 135 ASP N N 135 118.688 118.688 120.745 -2.057 18389 14385 1 16 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.620 -0.258 18389 14386 1 16 . 1 1 135 135 ASP C C 135 174.301 174.301 175.869 -1.568 18389 14387 1 16 . 1 1 135 135 ASP CA C 135 51.810 51.810 53.323 -1.513 18389 14388 1 16 . 1 1 135 135 ASP CB C 135 36.904 36.904 42.201 -5.297 18389 14389 1 16 . 1 1 135 135 ASP H H 135 8.844 8.844 8.524 0.320 18389 14390 1 16 . 1 1 136 136 MET N N 136 114.721 114.721 120.793 -6.072 18389 14391 1 16 . 1 1 136 136 MET HA H 136 4.035 4.035 4.812 -0.777 18389 14392 1 16 . 1 1 136 136 MET C C 136 174.252 174.252 176.173 -1.921 18389 14393 1 16 . 1 1 136 136 MET CA C 136 54.461 54.461 54.540 -0.079 18389 14394 1 16 . 1 1 136 136 MET CB C 136 29.439 29.439 32.894 -3.455 18389 14395 1 16 . 1 1 136 136 MET H H 136 7.585 7.585 8.451 -0.866 18389 14396 1 16 . 1 1 137 137 SER N N 137 118.130 118.130 114.761 3.369 18389 14397 1 16 . 1 1 137 137 SER HA H 137 4.392 4.392 4.443 -0.051 18389 14398 1 16 . 1 1 137 137 SER C C 137 174.811 174.811 175.962 -1.151 18389 14399 1 16 . 1 1 137 137 SER CA C 137 57.841 57.841 58.930 -1.089 18389 14400 1 16 . 1 1 137 137 SER CB C 137 62.369 62.369 63.353 -0.984 18389 14401 1 16 . 1 1 137 137 SER H H 137 9.140 9.140 8.949 0.191 18389 14402 1 16 . 1 1 138 138 GLY N N 138 114.534 114.534 109.243 5.291 18389 14403 1 16 . 1 1 138 138 GLY C C 138 170.903 170.903 174.371 -3.468 18389 14404 1 16 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.382 -1.185 18389 14405 1 16 . 1 1 138 138 GLY H H 138 10.549 10.549 8.669 1.880 18389 14406 1 16 . 1 1 139 139 THR N N 139 112.564 112.564 113.325 -0.761 18389 14407 1 16 . 1 1 139 139 THR HA H 139 4.538 4.538 4.269 0.269 18389 14408 1 16 . 1 1 139 139 THR C C 139 168.086 168.086 172.611 -4.525 18389 14409 1 16 . 1 1 139 139 THR CA C 139 57.132 57.132 60.800 -3.668 18389 14410 1 16 . 1 1 139 139 THR CB C 139 68.854 68.854 70.603 -1.749 18389 14411 1 16 . 1 1 139 139 THR H H 139 8.504 8.504 7.309 1.195 18389 14412 1 16 . 1 1 140 140 LEU N N 140 129.971 129.971 120.888 9.083 18389 14413 1 16 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.401 -0.630 18389 14414 1 16 . 1 1 140 140 LEU C C 140 172.175 172.175 175.574 -3.399 18389 14415 1 16 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.807 -2.472 18389 14416 1 16 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.234 -5.362 18389 14417 1 16 . 1 1 140 140 LEU H H 140 7.900 7.900 7.621 0.279 18389 14418 1 16 . 1 1 141 141 ASP N N 141 132.200 132.200 122.724 9.476 18389 14419 1 16 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.745 -0.041 18389 14420 1 16 . 1 1 141 141 ASP C C 141 172.137 172.137 175.519 -3.382 18389 14421 1 16 . 1 1 141 141 ASP CA C 141 51.692 51.692 52.721 -1.029 18389 14422 1 16 . 1 1 141 141 ASP CB C 141 38.561 38.561 42.367 -3.806 18389 14423 1 16 . 1 1 141 141 ASP H H 141 9.101 9.101 8.314 0.787 18389 14424 1 16 . 1 1 142 142 LEU N N 142 122.667 122.667 122.538 0.129 18389 14425 1 16 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.886 -0.146 18389 14426 1 16 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.139 -2.392 18389 14427 1 16 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.578 -1.680 18389 14428 1 16 . 1 1 142 142 LEU H H 142 7.799 7.799 8.622 -0.823 18389 14429 1 16 . 1 1 143 143 ASP N N 143 112.789 112.789 115.152 -2.363 18389 14430 1 16 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.481 0.435 18389 14431 1 16 . 1 1 143 143 ASP C C 143 173.547 173.547 176.273 -2.726 18389 14432 1 16 . 1 1 143 143 ASP CA C 143 51.101 51.101 55.752 -4.651 18389 14433 1 16 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.343 -3.045 18389 14434 1 16 . 1 1 143 143 ASP H H 143 8.473 8.473 8.054 0.419 18389 14435 1 16 . 1 1 144 144 ASN N N 144 120.743 120.743 117.840 2.903 18389 14436 1 16 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.677 0.402 18389 14437 1 16 . 1 1 144 144 ASN C C 144 171.278 171.278 173.413 -2.135 18389 14438 1 16 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.604 -3.130 18389 14439 1 16 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.951 -1.772 18389 14440 1 16 . 1 1 144 144 ASN H H 144 7.867 7.867 7.506 0.361 18389 14441 1 16 . 1 1 145 145 ILE N N 145 122.844 122.844 121.872 0.972 18389 14442 1 16 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.349 -0.509 18389 14443 1 16 . 1 1 145 145 ILE C C 145 172.420 172.420 174.732 -2.312 18389 14444 1 16 . 1 1 145 145 ILE CA C 145 57.861 57.861 58.890 -1.029 18389 14445 1 16 . 1 1 145 145 ILE CB C 145 33.407 33.407 39.320 -5.913 18389 14446 1 16 . 1 1 145 145 ILE H H 145 8.770 8.770 8.137 0.633 18389 14447 1 16 . 1 1 146 146 ASP N N 146 125.428 125.428 126.360 -0.932 18389 14448 1 16 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.542 0.111 18389 14449 1 16 . 1 1 146 146 ASP C C 146 172.931 172.931 175.813 -2.882 18389 14450 1 16 . 1 1 146 146 ASP CA C 146 53.352 53.352 56.038 -2.686 18389 14451 1 16 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.046 0.866 18389 14452 1 16 . 1 1 146 146 ASP H H 146 9.355 9.355 8.896 0.459 18389 14453 1 16 . 1 1 147 147 SER N N 147 108.442 108.442 109.948 -1.506 18389 14454 1 16 . 1 1 147 147 SER HA H 147 5.054 5.054 4.740 0.314 18389 14455 1 16 . 1 1 147 147 SER C C 147 169.957 169.957 172.283 -2.326 18389 14456 1 16 . 1 1 147 147 SER CA C 147 54.584 54.584 57.390 -2.806 18389 14457 1 16 . 1 1 147 147 SER CB C 147 62.518 62.518 65.542 -3.024 18389 14458 1 16 . 1 1 147 147 SER H H 147 7.927 7.927 7.838 0.089 18389 14459 1 16 . 1 1 148 148 ILE N N 148 110.150 110.150 116.724 -6.574 18389 14460 1 16 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.177 0.472 18389 14461 1 16 . 1 1 148 148 ILE C C 148 171.932 171.932 173.758 -1.826 18389 14462 1 16 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.208 -2.586 18389 14463 1 16 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.976 -3.263 18389 14464 1 16 . 1 1 148 148 ILE H H 148 8.043 8.043 7.916 0.127 18389 14465 1 16 . 1 1 149 149 HIS N N 149 118.612 118.612 122.677 -4.065 18389 14466 1 16 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.498 0.992 18389 14467 1 16 . 1 1 149 149 HIS C C 149 174.287 174.287 174.237 0.050 18389 14468 1 16 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.689 -2.787 18389 14469 1 16 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.011 -0.052 18389 14470 1 16 . 1 1 149 149 HIS H H 149 9.331 9.331 8.805 0.526 18389 14471 1 16 . 1 1 150 150 PHE N N 150 117.037 117.037 123.758 -6.721 18389 14472 1 16 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.657 0.873 18389 14473 1 16 . 1 1 150 150 PHE C C 150 172.808 172.808 172.908 -0.100 18389 14474 1 16 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.997 -0.494 18389 14475 1 16 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.740 -1.460 18389 14476 1 16 . 1 1 150 150 PHE H H 150 8.788 8.788 9.226 -0.438 18389 14477 1 16 . 1 1 151 151 MET N N 151 119.781 119.781 123.404 -3.623 18389 14478 1 16 . 1 1 151 151 MET HA H 151 4.664 4.664 4.417 0.247 18389 14479 1 16 . 1 1 151 151 MET C C 151 170.282 170.282 174.143 -3.861 18389 14480 1 16 . 1 1 151 151 MET CA C 151 52.146 52.146 53.194 -1.048 18389 14481 1 16 . 1 1 151 151 MET CB C 151 34.947 34.947 37.514 -2.567 18389 14482 1 16 . 1 1 151 151 MET H H 151 9.761 9.761 7.922 1.839 18389 14483 1 16 . 1 1 152 152 TYR N N 152 117.149 117.149 116.828 0.321 18389 14484 1 16 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.428 -0.352 18389 14485 1 16 . 1 1 152 152 TYR C C 152 171.554 171.554 173.844 -2.290 18389 14486 1 16 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.512 -1.167 18389 14487 1 16 . 1 1 152 152 TYR CB C 152 36.904 36.904 38.365 -1.461 18389 14488 1 16 . 1 1 152 152 TYR H H 152 6.275 6.275 8.101 -1.826 18389 14489 1 16 . 1 1 153 153 ALA N N 153 121.523 121.523 122.086 -0.563 18389 14490 1 16 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.455 -0.292 18389 14491 1 16 . 1 1 153 153 ALA C C 153 173.777 173.777 175.373 -1.596 18389 14492 1 16 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.872 -2.687 18389 14493 1 16 . 1 1 153 153 ALA CB C 153 19.965 19.965 18.918 1.047 18389 14494 1 16 . 1 1 153 153 ALA H H 153 10.019 10.019 8.163 1.856 18389 14495 1 16 . 1 1 154 154 ASN N N 154 114.643 114.643 116.781 -2.138 18389 14496 1 16 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.950 0.234 18389 14497 1 16 . 1 1 154 154 ASN C C 154 173.267 173.267 174.032 -0.765 18389 14498 1 16 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.468 -2.553 18389 14499 1 16 . 1 1 154 154 ASN CB C 154 36.713 36.713 39.955 -3.242 18389 14500 1 16 . 1 1 154 154 ASN H H 154 8.141 8.141 7.973 0.168 18389 14501 1 16 . 1 1 156 156 LYS N N 156 119.099 119.099 120.771 -1.672 18389 14502 1 16 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.576 0.162 18389 14503 1 16 . 1 1 156 156 LYS C C 156 173.965 173.965 176.111 -2.146 18389 14504 1 16 . 1 1 156 156 LYS CA C 156 53.872 53.872 54.312 -0.440 18389 14505 1 16 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.987 -3.561 18389 14506 1 16 . 1 1 156 156 LYS H H 156 8.298 8.298 8.735 -0.437 18389 14507 1 16 . 1 1 157 157 SER N N 157 115.584 115.584 114.472 1.112 18389 14508 1 16 . 1 1 157 157 SER HA H 157 5.055 5.055 3.496 1.559 18389 14509 1 16 . 1 1 157 157 SER C C 157 169.925 169.925 174.007 -4.082 18389 14510 1 16 . 1 1 157 157 SER CA C 157 55.617 55.617 58.796 -3.179 18389 14511 1 16 . 1 1 157 157 SER CB C 157 63.180 63.180 63.631 -0.451 18389 14512 1 16 . 1 1 157 157 SER H H 157 8.240 8.240 8.448 -0.208 18389 14513 1 16 . 1 1 158 158 GLY N N 158 108.219 108.219 107.607 0.612 18389 14514 1 16 . 1 1 158 158 GLY C C 158 168.322 168.322 171.556 -3.234 18389 14515 1 16 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.237 -1.672 18389 14516 1 16 . 1 1 158 158 GLY H H 158 6.942 6.942 7.519 -0.577 18389 14517 1 16 . 1 1 159 159 LYS N N 159 116.608 116.608 119.247 -2.639 18389 14518 1 16 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.593 -0.072 18389 14519 1 16 . 1 1 159 159 LYS C C 159 172.966 172.966 175.472 -2.506 18389 14520 1 16 . 1 1 159 159 LYS CA C 159 53.141 53.141 55.158 -2.017 18389 14521 1 16 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.484 -1.779 18389 14522 1 16 . 1 1 159 159 LYS H H 159 7.925 7.925 8.571 -0.646 18389 14523 1 16 . 1 1 160 160 PHE N N 160 121.804 121.804 120.599 1.205 18389 14524 1 16 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.353 0.172 18389 14525 1 16 . 1 1 160 160 PHE C C 160 168.125 168.125 172.315 -4.190 18389 14526 1 16 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.111 -2.796 18389 14527 1 16 . 1 1 160 160 PHE CB C 160 39.051 39.051 42.321 -3.270 18389 14528 1 16 . 1 1 160 160 PHE H H 160 8.834 8.834 9.149 -0.315 18389 14529 1 16 . 1 1 161 161 VAL N N 161 119.787 119.787 118.368 1.419 18389 14530 1 16 . 1 1 161 161 VAL HA H 161 5.378 5.378 4.904 0.474 18389 14531 1 16 . 1 1 161 161 VAL C C 161 170.736 170.736 173.163 -2.427 18389 14532 1 16 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.430 -3.774 18389 14533 1 16 . 1 1 161 161 VAL CB C 161 31.937 31.937 36.214 -4.277 18389 14534 1 16 . 1 1 161 161 VAL H H 161 9.277 9.277 8.888 0.389 18389 14535 1 16 . 1 1 162 162 VAL N N 162 121.357 121.357 124.541 -3.184 18389 14536 1 16 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.288 0.679 18389 14537 1 16 . 1 1 162 162 VAL C C 162 170.928 170.928 173.274 -2.346 18389 14538 1 16 . 1 1 162 162 VAL CA C 162 55.686 55.686 58.854 -3.168 18389 14539 1 16 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.214 -1.372 18389 14540 1 16 . 1 1 162 162 VAL H H 162 8.453 8.453 8.826 -0.373 18389 14541 1 16 . 1 1 163 163 ASP N N 163 119.088 119.088 124.380 -5.292 18389 14542 1 16 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.416 0.163 18389 14543 1 16 . 1 1 163 163 ASP C C 163 172.563 172.563 174.462 -1.899 18389 14544 1 16 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.782 -3.300 18389 14545 1 16 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.346 -1.883 18389 14546 1 16 . 1 1 163 163 ASP H H 163 9.233 9.233 8.833 0.400 18389 14547 1 16 . 1 1 164 164 ASN N N 164 117.316 117.316 116.211 1.105 18389 14548 1 16 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.562 0.087 18389 14549 1 16 . 1 1 164 164 ASN C C 164 170.940 170.940 174.669 -3.729 18389 14550 1 16 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.594 -1.923 18389 14551 1 16 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.361 -1.966 18389 14552 1 16 . 1 1 164 164 ASN H H 164 9.864 9.864 8.598 1.266 18389 14553 1 16 . 1 1 165 165 ILE N N 165 118.660 118.660 120.588 -1.928 18389 14554 1 16 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.450 0.989 18389 14555 1 16 . 1 1 165 165 ILE C C 165 173.336 173.336 175.656 -2.320 18389 14556 1 16 . 1 1 165 165 ILE CA C 165 59.155 59.155 60.171 -1.016 18389 14557 1 16 . 1 1 165 165 ILE CB C 165 35.187 35.187 35.347 -0.160 18389 14558 1 16 . 1 1 165 165 ILE H H 165 8.716 8.716 8.257 0.459 18389 14559 1 16 . 1 1 166 166 LYS N N 166 127.896 127.896 126.646 1.250 18389 14560 1 16 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.023 0.155 18389 14561 1 16 . 1 1 166 166 LYS C C 166 170.453 170.453 175.727 -5.274 18389 14562 1 16 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.180 -1.656 18389 14563 1 16 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.087 -0.841 18389 14564 1 16 . 1 1 166 166 LYS H H 166 9.921 9.921 9.174 0.747 18389 14565 1 16 . 1 1 167 167 LEU N N 167 120.747 120.747 121.106 -0.359 18389 14566 1 16 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.714 0.122 18389 14567 1 16 . 1 1 167 167 LEU C C 167 173.703 173.703 175.730 -2.027 18389 14568 1 16 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.895 -3.316 18389 14569 1 16 . 1 1 167 167 LEU CB C 167 40.711 40.711 43.279 -2.567 18389 14570 1 16 . 1 1 167 167 LEU H H 167 8.552 8.552 8.548 0.004 18389 14571 1 16 . 1 1 168 168 ILE N N 168 116.914 116.914 121.003 -4.089 18389 14572 1 16 . 1 1 168 168 ILE HA H 168 4.989 4.989 5.401 -0.412 18389 14573 1 16 . 1 1 168 168 ILE C C 168 173.923 173.923 176.481 -2.558 18389 14574 1 16 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.555 -1.179 18389 14575 1 16 . 1 1 168 168 ILE CB C 168 38.938 38.938 40.932 -1.994 18389 14576 1 16 . 1 1 168 168 ILE H H 168 8.523 8.523 9.046 -0.523 18389 14577 1 16 . 1 1 169 169 GLY N N 169 114.527 114.527 113.181 1.346 18389 14578 1 16 . 1 1 169 169 GLY C C 169 169.252 169.252 173.563 -4.311 18389 14579 1 16 . 1 1 169 169 GLY CA C 169 42.925 42.925 43.728 -0.803 18389 14580 1 16 . 1 1 169 169 GLY H H 169 8.942 8.942 8.933 0.009 18389 14581 1 16 . 1 1 170 170 ALA N N 170 123.678 123.678 121.330 2.348 18389 14582 1 16 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.318 0.106 18389 14583 1 16 . 1 1 170 170 ALA C C 170 174.985 174.985 179.220 -4.235 18389 14584 1 16 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.846 -2.502 18389 14585 1 16 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.441 -2.354 18389 14586 1 16 . 1 1 170 170 ALA H H 170 8.321 8.321 8.249 0.072 18389 14587 1 16 . 1 1 171 171 LEU N N 171 122.139 122.139 117.497 4.642 18389 14588 1 16 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.566 -0.161 18389 14589 1 16 . 1 1 171 171 LEU C C 171 174.478 174.478 176.151 -1.673 18389 14590 1 16 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.725 -2.091 18389 14591 1 16 . 1 1 171 171 LEU CB C 171 40.111 40.111 38.802 1.309 18389 14592 1 16 . 1 1 171 171 LEU H H 171 8.182 8.182 8.437 -0.255 18389 14593 1 17 . 1 1 2 2 ALA N N 2 119.048 119.048 124.177 -5.129 18389 14594 1 17 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.552 -0.268 18389 14595 1 17 . 1 1 2 2 ALA C C 2 174.144 174.144 177.376 -3.232 18389 14596 1 17 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.486 -3.103 18389 14597 1 17 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.461 0.368 18389 14598 1 17 . 1 1 2 2 ALA H H 2 9.577 9.577 8.297 1.280 18389 14599 1 17 . 1 1 3 3 SER N N 3 114.278 114.278 115.977 -1.699 18389 14600 1 17 . 1 1 3 3 SER C C 3 173.040 173.040 175.385 -2.345 18389 14601 1 17 . 1 1 3 3 SER H H 3 8.152 8.152 8.605 -0.453 18389 14602 1 17 . 1 1 6 6 GLY N N 6 112.362 112.362 108.797 3.565 18389 14603 1 17 . 1 1 6 6 GLY C C 6 170.686 170.686 173.115 -2.429 18389 14604 1 17 . 1 1 6 6 GLY CA C 6 43.313 43.313 46.084 -2.772 18389 14605 1 17 . 1 1 6 6 GLY H H 6 8.750 8.750 8.718 0.032 18389 14606 1 17 . 1 1 7 7 GLU N N 7 117.722 117.722 117.512 0.210 18389 14607 1 17 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.328 0.101 18389 14608 1 17 . 1 1 7 7 GLU C C 7 172.744 172.744 174.375 -1.631 18389 14609 1 17 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.193 -1.945 18389 14610 1 17 . 1 1 7 7 GLU CB C 7 31.170 31.170 33.743 -2.573 18389 14611 1 17 . 1 1 7 7 GLU H H 7 8.078 8.078 7.673 0.405 18389 14612 1 17 . 1 1 8 8 LYS N N 8 122.832 122.832 119.678 3.154 18389 14613 1 17 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.615 -0.076 18389 14614 1 17 . 1 1 8 8 LYS C C 8 171.963 171.963 174.387 -2.424 18389 14615 1 17 . 1 1 8 8 LYS CA C 8 52.565 52.565 55.214 -2.649 18389 14616 1 17 . 1 1 8 8 LYS CB C 8 33.185 33.185 36.471 -3.286 18389 14617 1 17 . 1 1 8 8 LYS H H 8 8.434 8.434 8.231 0.203 18389 14618 1 17 . 1 1 9 9 MET N N 9 128.562 128.562 124.107 4.455 18389 14619 1 17 . 1 1 9 9 MET HA H 9 4.536 4.536 4.678 -0.142 18389 14620 1 17 . 1 1 9 9 MET C C 9 172.911 172.911 175.997 -3.086 18389 14621 1 17 . 1 1 9 9 MET CA C 9 53.012 53.012 55.160 -2.148 18389 14622 1 17 . 1 1 9 9 MET CB C 9 28.376 28.376 32.987 -4.611 18389 14623 1 17 . 1 1 9 9 MET H H 9 8.984 8.984 8.590 0.394 18389 14624 1 17 . 1 1 10 10 LEU N N 10 129.881 129.881 127.534 2.347 18389 14625 1 17 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.571 0.094 18389 14626 1 17 . 1 1 10 10 LEU C C 10 174.887 174.887 177.071 -2.184 18389 14627 1 17 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.828 -2.615 18389 14628 1 17 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.175 -2.776 18389 14629 1 17 . 1 1 10 10 LEU H H 10 9.751 9.751 9.044 0.707 18389 14630 1 17 . 1 1 11 11 ASP N N 11 115.516 115.516 116.830 -1.314 18389 14631 1 17 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.739 -0.016 18389 14632 1 17 . 1 1 11 11 ASP C C 11 170.836 170.836 173.849 -3.013 18389 14633 1 17 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.985 -0.402 18389 14634 1 17 . 1 1 11 11 ASP CB C 11 40.219 40.219 44.076 -3.857 18389 14635 1 17 . 1 1 11 11 ASP H H 11 8.110 8.110 7.641 0.469 18389 14636 1 17 . 1 1 12 12 ASP N N 12 124.144 124.144 122.782 1.362 18389 14637 1 17 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.441 0.410 18389 14638 1 17 . 1 1 12 12 ASP C C 12 175.055 175.055 175.150 -0.095 18389 14639 1 17 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.368 -2.058 18389 14640 1 17 . 1 1 12 12 ASP CB C 12 38.195 38.195 40.653 -2.458 18389 14641 1 17 . 1 1 12 12 ASP H H 12 8.053 8.053 8.602 -0.549 18389 14642 1 17 . 1 1 13 13 PHE N N 13 117.584 117.584 115.465 2.119 18389 14643 1 17 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.260 0.012 18389 14644 1 17 . 1 1 13 13 PHE C C 13 171.960 171.960 175.847 -3.887 18389 14645 1 17 . 1 1 13 13 PHE CA C 13 58.913 58.913 58.949 -0.036 18389 14646 1 17 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.404 -4.229 18389 14647 1 17 . 1 1 13 13 PHE H H 13 9.327 9.327 8.001 1.326 18389 14648 1 17 . 1 1 14 14 GLU N N 14 113.122 113.122 116.703 -3.581 18389 14649 1 17 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.573 0.476 18389 14650 1 17 . 1 1 14 14 GLU C C 14 175.300 175.300 177.391 -2.091 18389 14651 1 17 . 1 1 14 14 GLU CA C 14 51.981 51.981 56.922 -4.941 18389 14652 1 17 . 1 1 14 14 GLU CB C 14 24.994 24.994 30.385 -5.391 18389 14653 1 17 . 1 1 14 14 GLU H H 14 8.165 8.165 8.578 -0.413 18389 14654 1 17 . 1 1 15 15 GLY N N 15 110.108 110.108 108.536 1.572 18389 14655 1 17 . 1 1 15 15 GLY C C 15 171.609 171.609 173.503 -1.894 18389 14656 1 17 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.733 -2.879 18389 14657 1 17 . 1 1 15 15 GLY H H 15 8.117 8.117 7.763 0.354 18389 14658 1 17 . 1 1 16 16 VAL N N 16 121.792 121.792 121.083 0.709 18389 14659 1 17 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.112 0.159 18389 14660 1 17 . 1 1 16 16 VAL C C 16 173.203 173.203 176.068 -2.865 18389 14661 1 17 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.292 -3.009 18389 14662 1 17 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.351 -2.150 18389 14663 1 17 . 1 1 16 16 VAL H H 16 8.190 8.190 8.077 0.113 18389 14664 1 17 . 1 1 17 17 LEU N N 17 124.682 124.682 125.979 -1.297 18389 14665 1 17 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.425 0.473 18389 14666 1 17 . 1 1 17 17 LEU C C 17 174.685 174.685 176.404 -1.719 18389 14667 1 17 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.654 -2.856 18389 14668 1 17 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.513 -3.377 18389 14669 1 17 . 1 1 17 17 LEU H H 17 8.500 8.500 8.250 0.250 18389 14670 1 17 . 1 1 18 18 ASN N N 18 127.589 127.589 122.630 4.959 18389 14671 1 17 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.410 0.737 18389 14672 1 17 . 1 1 18 18 ASN C C 18 171.583 171.583 173.015 -1.432 18389 14673 1 17 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.018 -1.041 18389 14674 1 17 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.441 -1.298 18389 14675 1 17 . 1 1 18 18 ASN H H 18 9.956 9.956 8.114 1.842 18389 14676 1 17 . 1 1 19 19 TRP N N 19 119.913 119.913 118.215 1.698 18389 14677 1 17 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.984 0.074 18389 14678 1 17 . 1 1 19 19 TRP C C 19 174.918 174.918 176.814 -1.896 18389 14679 1 17 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.939 -0.563 18389 14680 1 17 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.545 -4.145 18389 14681 1 17 . 1 1 19 19 TRP H H 19 7.057 7.057 7.416 -0.359 18389 14682 1 17 . 1 1 20 20 GLY N N 20 112.934 112.934 109.749 3.185 18389 14683 1 17 . 1 1 20 20 GLY C C 20 171.436 171.436 173.023 -1.587 18389 14684 1 17 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.767 -3.827 18389 14685 1 17 . 1 1 20 20 GLY H H 20 9.622 9.622 8.999 0.623 18389 14686 1 17 . 1 1 21 21 SER N N 21 114.752 114.752 115.407 -0.655 18389 14687 1 17 . 1 1 21 21 SER HA H 21 5.686 5.686 5.377 0.309 18389 14688 1 17 . 1 1 21 21 SER C C 21 170.314 170.314 173.413 -3.099 18389 14689 1 17 . 1 1 21 21 SER CA C 21 55.911 55.911 57.410 -1.499 18389 14690 1 17 . 1 1 21 21 SER CB C 21 64.070 64.070 66.727 -2.656 18389 14691 1 17 . 1 1 21 21 SER H H 21 8.899 8.899 8.477 0.422 18389 14692 1 17 . 1 1 22 22 TYR N N 22 118.001 118.001 121.260 -3.259 18389 14693 1 17 . 1 1 22 22 TYR HA H 22 5.300 5.300 5.053 0.247 18389 14694 1 17 . 1 1 22 22 TYR C C 22 170.760 170.760 173.386 -2.626 18389 14695 1 17 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.315 -2.665 18389 14696 1 17 . 1 1 22 22 TYR CB C 22 37.824 37.824 41.377 -3.554 18389 14697 1 17 . 1 1 22 22 TYR H H 22 8.807 8.807 8.661 0.146 18389 14698 1 17 . 1 1 23 23 SER N N 23 109.826 109.826 115.680 -5.854 18389 14699 1 17 . 1 1 23 23 SER HA H 23 4.912 4.912 5.030 -0.118 18389 14700 1 17 . 1 1 23 23 SER C C 23 169.918 169.918 173.702 -3.784 18389 14701 1 17 . 1 1 23 23 SER CA C 23 55.664 55.664 56.870 -1.206 18389 14702 1 17 . 1 1 23 23 SER CB C 23 62.361 62.361 66.234 -3.873 18389 14703 1 17 . 1 1 23 23 SER H H 23 8.435 8.435 8.420 0.015 18389 14704 1 17 . 1 1 24 24 GLY N N 24 103.788 103.788 107.473 -3.685 18389 14705 1 17 . 1 1 24 24 GLY C C 24 170.240 170.240 174.313 -4.073 18389 14706 1 17 . 1 1 24 24 GLY CA C 24 42.767 42.767 46.357 -3.590 18389 14707 1 17 . 1 1 24 24 GLY H H 24 7.339 7.339 8.578 -1.239 18389 14708 1 17 . 1 1 25 25 GLU N N 25 116.420 116.420 122.015 -5.595 18389 14709 1 17 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.699 -0.590 18389 14710 1 17 . 1 1 25 25 GLU C C 25 173.683 173.683 176.299 -2.616 18389 14711 1 17 . 1 1 25 25 GLU CA C 25 53.687 53.687 55.534 -1.847 18389 14712 1 17 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.314 -4.168 18389 14713 1 17 . 1 1 25 25 GLU H H 25 8.962 8.962 7.899 1.063 18389 14714 1 17 . 1 1 26 26 GLY N N 26 106.660 106.660 108.482 -1.822 18389 14715 1 17 . 1 1 26 26 GLY C C 26 171.638 171.638 173.408 -1.770 18389 14716 1 17 . 1 1 26 26 GLY CA C 26 43.173 43.173 45.891 -2.718 18389 14717 1 17 . 1 1 26 26 GLY H H 26 8.483 8.483 8.658 -0.175 18389 14718 1 17 . 1 1 27 27 ALA N N 27 123.407 123.407 120.664 2.743 18389 14719 1 17 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.589 0.058 18389 14720 1 17 . 1 1 27 27 ALA C C 27 174.232 174.232 175.125 -0.893 18389 14721 1 17 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.052 -1.489 18389 14722 1 17 . 1 1 27 27 ALA CB C 27 17.538 17.538 21.957 -4.419 18389 14723 1 17 . 1 1 27 27 ALA H H 27 7.182 7.182 7.662 -0.480 18389 14724 1 17 . 1 1 28 28 LYS N N 28 117.590 117.590 119.218 -1.628 18389 14725 1 17 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.703 0.189 18389 14726 1 17 . 1 1 28 28 LYS C C 28 171.365 171.365 174.086 -2.721 18389 14727 1 17 . 1 1 28 28 LYS CA C 28 52.419 52.419 56.317 -3.898 18389 14728 1 17 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.562 -2.018 18389 14729 1 17 . 1 1 28 28 LYS H H 28 8.650 8.650 8.664 -0.014 18389 14730 1 17 . 1 1 29 29 VAL N N 29 118.148 118.148 124.533 -6.385 18389 14731 1 17 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.249 0.992 18389 14732 1 17 . 1 1 29 29 VAL C C 29 169.809 169.809 175.578 -5.769 18389 14733 1 17 . 1 1 29 29 VAL CA C 29 57.083 57.083 62.105 -5.022 18389 14734 1 17 . 1 1 29 29 VAL CB C 29 31.475 31.475 32.875 -1.400 18389 14735 1 17 . 1 1 29 29 VAL H H 29 8.327 8.327 8.422 -0.095 18389 14736 1 17 . 1 1 30 30 SER N N 30 120.964 120.964 125.857 -4.893 18389 14737 1 17 . 1 1 30 30 SER HA H 30 4.993 4.993 4.824 0.169 18389 14738 1 17 . 1 1 30 30 SER C C 30 170.354 170.354 173.219 -2.865 18389 14739 1 17 . 1 1 30 30 SER CA C 30 54.438 54.438 56.916 -2.478 18389 14740 1 17 . 1 1 30 30 SER CB C 30 63.262 63.262 64.357 -1.095 18389 14741 1 17 . 1 1 30 30 SER H H 30 8.797 8.797 8.718 0.079 18389 14742 1 17 . 1 1 31 31 THR N N 31 112.970 112.970 117.973 -5.003 18389 14743 1 17 . 1 1 31 31 THR HA H 31 5.618 5.618 5.259 0.359 18389 14744 1 17 . 1 1 31 31 THR C C 31 171.857 171.857 174.568 -2.711 18389 14745 1 17 . 1 1 31 31 THR CA C 31 56.212 56.212 60.868 -4.656 18389 14746 1 17 . 1 1 31 31 THR CB C 31 69.719 69.719 69.354 0.365 18389 14747 1 17 . 1 1 31 31 THR H H 31 8.384 8.384 8.607 -0.223 18389 14748 1 17 . 1 1 32 32 LYS N N 32 119.710 119.710 125.992 -6.282 18389 14749 1 17 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.709 0.017 18389 14750 1 17 . 1 1 32 32 LYS C C 32 171.734 171.734 174.782 -3.048 18389 14751 1 17 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.503 -1.530 18389 14752 1 17 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.980 -2.886 18389 14753 1 17 . 1 1 32 32 LYS H H 32 8.530 8.530 8.829 -0.299 18389 14754 1 17 . 1 1 33 33 ILE N N 33 124.276 124.276 122.369 1.907 18389 14755 1 17 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.249 0.725 18389 14756 1 17 . 1 1 33 33 ILE C C 33 173.578 173.578 176.296 -2.718 18389 14757 1 17 . 1 1 33 33 ILE CA C 33 57.439 57.439 61.503 -4.064 18389 14758 1 17 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.068 -4.605 18389 14759 1 17 . 1 1 33 33 ILE H H 33 8.669 8.669 8.483 0.186 18389 14760 1 17 . 1 1 34 34 VAL N N 34 121.698 121.698 121.542 0.156 18389 14761 1 17 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.658 0.209 18389 14762 1 17 . 1 1 34 34 VAL C C 34 172.702 172.702 174.719 -2.017 18389 14763 1 17 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.625 -2.966 18389 14764 1 17 . 1 1 34 34 VAL CB C 34 33.909 33.909 35.165 -1.256 18389 14765 1 17 . 1 1 34 34 VAL H H 34 8.463 8.463 8.178 0.285 18389 14766 1 17 . 1 1 35 35 SER N N 35 115.704 115.704 116.335 -0.631 18389 14767 1 17 . 1 1 35 35 SER HA H 35 4.590 4.590 4.453 0.137 18389 14768 1 17 . 1 1 35 35 SER CA C 35 58.345 58.345 59.731 -1.386 18389 14769 1 17 . 1 1 35 35 SER CB C 35 60.619 60.619 63.525 -2.906 18389 14770 1 17 . 1 1 35 35 SER H H 35 8.271 8.271 8.567 -0.296 18389 14771 1 17 . 1 1 36 36 GLY N N 36 113.970 113.970 112.941 1.029 18389 14772 1 17 . 1 1 36 36 GLY C C 36 170.257 170.257 174.121 -3.864 18389 14773 1 17 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.767 -3.069 18389 14774 1 17 . 1 1 36 36 GLY H H 36 9.267 9.267 8.284 0.983 18389 14775 1 17 . 1 1 37 37 LYS N N 37 129.227 129.227 119.253 9.974 18389 14776 1 17 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.207 -0.852 18389 14777 1 17 . 1 1 37 37 LYS C C 37 174.912 174.912 176.679 -1.767 18389 14778 1 17 . 1 1 37 37 LYS CA C 37 55.555 55.555 58.083 -2.528 18389 14779 1 17 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.670 -3.261 18389 14780 1 17 . 1 1 37 37 LYS H H 37 8.484 8.484 8.213 0.271 18389 14781 1 17 . 1 1 38 38 THR N N 38 109.924 109.924 111.970 -2.046 18389 14782 1 17 . 1 1 38 38 THR HA H 38 4.398 4.398 4.510 -0.112 18389 14783 1 17 . 1 1 38 38 THR C C 38 171.818 171.818 174.109 -2.291 18389 14784 1 17 . 1 1 38 38 THR CA C 38 57.223 57.223 60.972 -3.749 18389 14785 1 17 . 1 1 38 38 THR CB C 38 67.805 67.805 70.811 -3.006 18389 14786 1 17 . 1 1 38 38 THR H H 38 7.549 7.549 8.055 -0.506 18389 14787 1 17 . 1 1 40 40 ASN N N 40 129.674 129.674 122.895 6.779 18389 14788 1 17 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.964 0.559 18389 14789 1 17 . 1 1 40 40 ASN C C 40 173.717 173.717 175.421 -1.704 18389 14790 1 17 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.613 -2.291 18389 14791 1 17 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.366 -2.178 18389 14792 1 17 . 1 1 40 40 ASN H H 40 10.958 10.958 8.351 2.607 18389 14793 1 17 . 1 1 41 41 GLY N N 41 111.261 111.261 106.972 4.289 18389 14794 1 17 . 1 1 41 41 GLY C C 41 166.652 166.652 172.707 -6.055 18389 14795 1 17 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.757 -2.046 18389 14796 1 17 . 1 1 41 41 GLY H H 41 9.674 9.674 8.799 0.875 18389 14797 1 17 . 1 1 42 42 MET N N 42 119.165 119.165 118.909 0.256 18389 14798 1 17 . 1 1 42 42 MET HA H 42 4.849 4.849 5.009 -0.160 18389 14799 1 17 . 1 1 42 42 MET C C 42 171.154 171.154 173.676 -2.522 18389 14800 1 17 . 1 1 42 42 MET CA C 42 51.503 51.503 53.651 -2.148 18389 14801 1 17 . 1 1 42 42 MET CB C 42 33.293 33.293 36.555 -3.262 18389 14802 1 17 . 1 1 42 42 MET H H 42 7.550 7.550 7.989 -0.439 18389 14803 1 17 . 1 1 43 43 GLU N N 43 128.221 128.221 125.623 2.598 18389 14804 1 17 . 1 1 43 43 GLU HA H 43 4.866 4.866 4.985 -0.119 18389 14805 1 17 . 1 1 43 43 GLU C C 43 172.612 172.612 175.023 -2.411 18389 14806 1 17 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.085 -2.406 18389 14807 1 17 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.162 -2.766 18389 14808 1 17 . 1 1 43 43 GLU H H 43 9.355 9.355 9.142 0.213 18389 14809 1 17 . 1 1 44 44 VAL N N 44 131.011 131.011 126.727 4.284 18389 14810 1 17 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.315 0.047 18389 14811 1 17 . 1 1 44 44 VAL C C 44 171.752 171.752 175.261 -3.509 18389 14812 1 17 . 1 1 44 44 VAL CA C 44 58.335 58.335 61.429 -3.094 18389 14813 1 17 . 1 1 44 44 VAL CB C 44 28.950 28.950 31.315 -2.365 18389 14814 1 17 . 1 1 44 44 VAL H H 44 9.002 9.002 8.738 0.264 18389 14815 1 17 . 1 1 45 45 SER N N 45 120.764 120.764 124.795 -4.031 18389 14816 1 17 . 1 1 45 45 SER HA H 45 4.975 4.975 4.650 0.325 18389 14817 1 17 . 1 1 45 45 SER C C 45 170.500 170.500 173.748 -3.248 18389 14818 1 17 . 1 1 45 45 SER CA C 45 53.547 53.547 58.698 -5.151 18389 14819 1 17 . 1 1 45 45 SER CB C 45 61.650 61.650 63.050 -1.401 18389 14820 1 17 . 1 1 45 45 SER H H 45 8.511 8.511 8.860 -0.349 18389 14821 1 17 . 1 1 46 46 TYR N N 46 123.478 123.478 128.700 -5.222 18389 14822 1 17 . 1 1 46 46 TYR HA H 46 5.275 5.275 4.585 0.690 18389 14823 1 17 . 1 1 46 46 TYR C C 46 171.644 171.644 176.562 -4.918 18389 14824 1 17 . 1 1 46 46 TYR CA C 46 52.235 52.235 59.627 -7.391 18389 14825 1 17 . 1 1 46 46 TYR CB C 46 37.465 37.465 40.501 -3.036 18389 14826 1 17 . 1 1 46 46 TYR H H 46 8.511 8.511 8.794 -0.283 18389 14827 1 17 . 1 1 47 47 THR N N 47 118.641 118.641 122.272 -3.631 18389 14828 1 17 . 1 1 47 47 THR HA H 47 4.793 4.793 4.770 0.023 18389 14829 1 17 . 1 1 47 47 THR C C 47 171.614 171.614 173.691 -2.077 18389 14830 1 17 . 1 1 47 47 THR CA C 47 58.267 58.267 61.766 -3.499 18389 14831 1 17 . 1 1 47 47 THR CB C 47 68.820 68.820 70.633 -1.813 18389 14832 1 17 . 1 1 47 47 THR H H 47 8.935 8.935 8.730 0.205 18389 14833 1 17 . 1 1 48 48 GLY N N 48 112.467 112.467 112.533 -0.066 18389 14834 1 17 . 1 1 48 48 GLY C C 48 170.521 170.521 171.896 -1.375 18389 14835 1 17 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.694 -1.618 18389 14836 1 17 . 1 1 48 48 GLY H H 48 7.723 7.723 7.655 0.068 18389 14837 1 17 . 1 1 49 49 THR N N 49 106.823 106.823 109.933 -3.110 18389 14838 1 17 . 1 1 49 49 THR HA H 49 4.913 4.913 4.646 0.267 18389 14839 1 17 . 1 1 49 49 THR C C 49 172.529 172.529 175.276 -2.747 18389 14840 1 17 . 1 1 49 49 THR CA C 49 57.385 57.385 59.820 -2.435 18389 14841 1 17 . 1 1 49 49 THR CB C 49 69.609 69.609 72.060 -2.451 18389 14842 1 17 . 1 1 49 49 THR H H 49 8.019 8.019 7.078 0.941 18389 14843 1 17 . 1 1 51 51 ASP N N 51 118.095 118.095 120.261 -2.166 18389 14844 1 17 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.720 0.284 18389 14845 1 17 . 1 1 51 51 ASP C C 51 172.913 172.913 176.548 -3.635 18389 14846 1 17 . 1 1 51 51 ASP CA C 51 52.245 52.245 53.838 -1.593 18389 14847 1 17 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.027 -2.257 18389 14848 1 17 . 1 1 51 51 ASP H H 51 8.613 8.613 8.455 0.158 18389 14849 1 17 . 1 1 52 52 GLY N N 52 107.075 107.075 107.986 -0.911 18389 14850 1 17 . 1 1 52 52 GLY C C 52 169.748 169.748 172.259 -2.511 18389 14851 1 17 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.577 -1.671 18389 14852 1 17 . 1 1 52 52 GLY H H 52 7.651 7.651 7.945 -0.294 18389 14853 1 17 . 1 1 53 53 TYR N N 53 112.556 112.556 118.970 -6.414 18389 14854 1 17 . 1 1 53 53 TYR HA H 53 3.621 3.621 3.795 -0.174 18389 14855 1 17 . 1 1 53 53 TYR C C 53 169.219 169.219 173.053 -3.834 18389 14856 1 17 . 1 1 53 53 TYR CA C 53 52.106 52.106 57.135 -5.029 18389 14857 1 17 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.117 -1.087 18389 14858 1 17 . 1 1 53 53 TYR H H 53 6.918 6.918 8.121 -1.203 18389 14859 1 17 . 1 1 54 54 TRP N N 54 112.748 112.748 122.504 -9.756 18389 14860 1 17 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.355 0.024 18389 14861 1 17 . 1 1 54 54 TRP C C 54 171.085 171.085 173.532 -2.447 18389 14862 1 17 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.513 -3.253 18389 14863 1 17 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.695 -2.720 18389 14864 1 17 . 1 1 54 54 TRP H H 54 6.406 6.406 6.808 -0.402 18389 14865 1 17 . 1 1 55 55 GLY N N 55 108.552 108.552 107.689 0.863 18389 14866 1 17 . 1 1 55 55 GLY C C 55 168.023 168.023 170.909 -2.886 18389 14867 1 17 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.016 -1.568 18389 14868 1 17 . 1 1 55 55 GLY H H 55 8.689 8.689 7.983 0.706 18389 14869 1 17 . 1 1 56 56 THR N N 56 113.376 113.376 115.039 -1.663 18389 14870 1 17 . 1 1 56 56 THR HA H 56 5.868 5.868 4.740 1.128 18389 14871 1 17 . 1 1 56 56 THR C C 56 170.376 170.376 173.527 -3.151 18389 14872 1 17 . 1 1 56 56 THR CA C 56 57.238 57.238 61.251 -4.013 18389 14873 1 17 . 1 1 56 56 THR CB C 56 69.053 69.053 72.365 -3.312 18389 14874 1 17 . 1 1 56 56 THR H H 56 9.518 9.518 7.791 1.727 18389 14875 1 17 . 1 1 57 57 VAL N N 57 123.361 123.361 123.735 -0.374 18389 14876 1 17 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.165 1.288 18389 14877 1 17 . 1 1 57 57 VAL C C 57 169.082 169.082 174.248 -5.166 18389 14878 1 17 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.287 -5.238 18389 14879 1 17 . 1 1 57 57 VAL CB C 57 33.347 33.347 34.493 -1.146 18389 14880 1 17 . 1 1 57 57 VAL H H 57 8.956 8.956 8.563 0.393 18389 14881 1 17 . 1 1 58 58 TYR N N 58 131.224 131.224 125.935 5.289 18389 14882 1 17 . 1 1 58 58 TYR HA H 58 4.576 4.576 5.266 -0.690 18389 14883 1 17 . 1 1 58 58 TYR C C 58 172.050 172.050 173.269 -1.219 18389 14884 1 17 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.759 -5.177 18389 14885 1 17 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.866 -6.905 18389 14886 1 17 . 1 1 58 58 TYR H H 58 8.641 8.641 8.302 0.339 18389 14887 1 17 . 1 1 59 59 SER N N 59 123.126 123.126 123.307 -0.181 18389 14888 1 17 . 1 1 59 59 SER HA H 59 4.304 4.304 4.957 -0.653 18389 14889 1 17 . 1 1 59 59 SER C C 59 170.891 170.891 173.786 -2.895 18389 14890 1 17 . 1 1 59 59 SER CA C 59 55.452 55.452 57.131 -1.679 18389 14891 1 17 . 1 1 59 59 SER CB C 59 60.048 60.048 63.834 -3.787 18389 14892 1 17 . 1 1 59 59 SER H H 59 8.217 8.217 8.842 -0.625 18389 14893 1 17 . 1 1 60 60 LEU N N 60 126.809 126.809 127.801 -0.992 18389 14894 1 17 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.706 -0.453 18389 14895 1 17 . 1 1 60 60 LEU C C 60 173.994 173.994 176.218 -2.224 18389 14896 1 17 . 1 1 60 60 LEU CA C 60 50.050 50.050 54.015 -3.965 18389 14897 1 17 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.109 -2.752 18389 14898 1 17 . 1 1 60 60 LEU H H 60 7.838 7.838 7.936 -0.098 18389 14899 1 17 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.374 0.199 18389 14900 1 17 . 1 1 61 61 PRO C C 61 173.514 173.514 176.996 -3.482 18389 14901 1 17 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.547 -3.295 18389 14902 1 17 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.144 -2.829 18389 14903 1 17 . 1 1 62 62 ASP N N 62 115.943 115.943 119.133 -3.190 18389 14904 1 17 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.928 -0.089 18389 14905 1 17 . 1 1 62 62 ASP C C 62 172.949 172.949 176.148 -3.199 18389 14906 1 17 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.785 -3.079 18389 14907 1 17 . 1 1 62 62 ASP CB C 62 40.031 40.031 41.017 -0.986 18389 14908 1 17 . 1 1 62 62 ASP H H 62 7.018 7.018 8.405 -1.387 18389 14909 1 17 . 1 1 63 63 GLY N N 63 112.680 112.680 108.570 4.110 18389 14910 1 17 . 1 1 63 63 GLY C C 63 170.273 170.273 172.437 -2.164 18389 14911 1 17 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.689 -1.688 18389 14912 1 17 . 1 1 63 63 GLY H H 63 8.417 8.417 8.576 -0.159 18389 14913 1 17 . 1 1 64 64 ASP N N 64 115.221 115.221 117.673 -2.452 18389 14914 1 17 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.497 0.796 18389 14915 1 17 . 1 1 64 64 ASP C C 64 174.354 174.354 175.215 -0.861 18389 14916 1 17 . 1 1 64 64 ASP CA C 64 50.267 50.267 51.851 -1.584 18389 14917 1 17 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.714 -4.374 18389 14918 1 17 . 1 1 64 64 ASP H H 64 7.766 7.766 7.720 0.046 18389 14919 1 17 . 1 1 65 65 TRP N N 65 130.747 130.747 122.545 8.202 18389 14920 1 17 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.818 0.613 18389 14921 1 17 . 1 1 65 65 TRP C C 65 173.930 173.930 177.117 -3.187 18389 14922 1 17 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.069 -4.025 18389 14923 1 17 . 1 1 65 65 TRP CB C 65 26.607 26.607 30.142 -3.535 18389 14924 1 17 . 1 1 65 65 TRP H H 65 9.687 9.687 8.373 1.314 18389 14925 1 17 . 1 1 66 66 SER N N 66 114.151 114.151 116.567 -2.416 18389 14926 1 17 . 1 1 66 66 SER HA H 66 4.041 4.041 4.081 -0.040 18389 14927 1 17 . 1 1 66 66 SER CA C 66 59.812 59.812 60.922 -1.110 18389 14928 1 17 . 1 1 66 66 SER CB C 66 60.892 60.892 62.974 -2.082 18389 14929 1 17 . 1 1 66 66 SER H H 66 8.568 8.568 7.862 0.706 18389 14930 1 17 . 1 1 70 70 LYS N N 70 117.090 117.090 115.163 1.927 18389 14931 1 17 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.113 0.285 18389 14932 1 17 . 1 1 70 70 LYS C C 70 170.030 170.030 174.239 -4.209 18389 14933 1 17 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.859 -4.000 18389 14934 1 17 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.907 -1.952 18389 14935 1 17 . 1 1 70 70 LYS H H 70 8.308 8.308 7.588 0.720 18389 14936 1 17 . 1 1 71 71 ILE N N 71 118.764 118.764 119.978 -1.214 18389 14937 1 17 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.715 0.499 18389 14938 1 17 . 1 1 71 71 ILE C C 71 169.396 169.396 174.191 -4.795 18389 14939 1 17 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.167 -3.834 18389 14940 1 17 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.156 -1.510 18389 14941 1 17 . 1 1 71 71 ILE H H 71 7.816 7.816 8.187 -0.371 18389 14942 1 17 . 1 1 72 72 SER N N 72 120.952 120.952 117.589 3.363 18389 14943 1 17 . 1 1 72 72 SER HA H 72 5.852 5.852 4.982 0.870 18389 14944 1 17 . 1 1 72 72 SER C C 72 170.208 170.208 172.796 -2.588 18389 14945 1 17 . 1 1 72 72 SER CA C 72 52.457 52.457 55.897 -3.440 18389 14946 1 17 . 1 1 72 72 SER CB C 72 64.125 64.125 64.971 -0.846 18389 14947 1 17 . 1 1 72 72 SER H H 72 9.237 9.237 8.588 0.649 18389 14948 1 17 . 1 1 73 73 PHE N N 73 117.161 117.161 119.833 -2.672 18389 14949 1 17 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.864 -0.493 18389 14950 1 17 . 1 1 73 73 PHE C C 73 170.381 170.381 173.385 -3.004 18389 14951 1 17 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.297 -1.500 18389 14952 1 17 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.899 -3.327 18389 14953 1 17 . 1 1 73 73 PHE H H 73 8.093 8.093 7.608 0.485 18389 14954 1 17 . 1 1 74 74 ASP N N 74 120.210 120.210 121.338 -1.128 18389 14955 1 17 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.567 0.587 18389 14956 1 17 . 1 1 74 74 ASP C C 74 173.653 173.653 174.485 -0.832 18389 14957 1 17 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.413 -2.517 18389 14958 1 17 . 1 1 74 74 ASP CB C 74 41.487 41.487 44.020 -2.533 18389 14959 1 17 . 1 1 74 74 ASP H H 74 8.993 8.993 8.868 0.125 18389 14960 1 17 . 1 1 75 75 ILE N N 75 121.051 121.051 125.604 -4.553 18389 14961 1 17 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.149 1.104 18389 14962 1 17 . 1 1 75 75 ILE C C 75 171.229 171.229 173.416 -2.187 18389 14963 1 17 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.586 -2.065 18389 14964 1 17 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.637 -0.116 18389 14965 1 17 . 1 1 75 75 ILE H H 75 9.681 9.681 8.997 0.684 18389 14966 1 17 . 1 1 76 76 LYS N N 76 124.693 124.693 126.180 -1.487 18389 14967 1 17 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.370 -0.539 18389 14968 1 17 . 1 1 76 76 LYS C C 76 172.283 172.283 175.054 -2.771 18389 14969 1 17 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.688 -1.286 18389 14970 1 17 . 1 1 76 76 LYS CB C 76 32.722 32.722 37.241 -4.519 18389 14971 1 17 . 1 1 76 76 LYS H H 76 8.454 8.454 9.086 -0.632 18389 14972 1 17 . 1 1 77 77 SER N N 77 118.916 118.916 115.339 3.577 18389 14973 1 17 . 1 1 77 77 SER HA H 77 4.816 4.816 4.981 -0.165 18389 14974 1 17 . 1 1 77 77 SER C C 77 172.741 172.741 174.047 -1.306 18389 14975 1 17 . 1 1 77 77 SER CA C 77 55.341 55.341 56.323 -0.982 18389 14976 1 17 . 1 1 77 77 SER CB C 77 61.792 61.792 65.302 -3.510 18389 14977 1 17 . 1 1 77 77 SER H H 77 9.236 9.236 9.016 0.220 18389 14978 1 17 . 1 1 78 78 VAL N N 78 120.723 120.723 124.648 -3.925 18389 14979 1 17 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.460 -0.126 18389 14980 1 17 . 1 1 78 78 VAL C C 78 172.941 172.941 174.624 -1.683 18389 14981 1 17 . 1 1 78 78 VAL CA C 78 59.795 59.795 62.199 -2.404 18389 14982 1 17 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.465 -3.197 18389 14983 1 17 . 1 1 78 78 VAL H H 78 8.132 8.132 8.768 -0.636 18389 14984 1 17 . 1 1 79 79 ASP N N 79 119.240 119.240 120.763 -1.523 18389 14985 1 17 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.688 0.053 18389 14986 1 17 . 1 1 79 79 ASP C C 79 174.199 174.199 176.613 -2.414 18389 14987 1 17 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.706 -3.594 18389 14988 1 17 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.687 -3.614 18389 14989 1 17 . 1 1 79 79 ASP H H 79 8.190 8.190 7.886 0.303 18389 14990 1 17 . 1 1 80 80 GLY N N 80 108.323 108.323 108.796 -0.473 18389 14991 1 17 . 1 1 80 80 GLY C C 80 171.858 171.858 173.970 -2.112 18389 14992 1 17 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.627 -2.524 18389 14993 1 17 . 1 1 80 80 GLY H H 80 8.275 8.275 8.405 -0.130 18389 14994 1 17 . 1 1 81 81 SER N N 81 116.291 116.291 117.339 -1.048 18389 14995 1 17 . 1 1 81 81 SER HA H 81 4.588 4.588 4.314 0.274 18389 14996 1 17 . 1 1 81 81 SER C C 81 171.588 171.588 173.933 -2.345 18389 14997 1 17 . 1 1 81 81 SER CA C 81 55.552 55.552 58.101 -2.549 18389 14998 1 17 . 1 1 81 81 SER CB C 81 61.910 61.910 62.834 -0.924 18389 14999 1 17 . 1 1 81 81 SER H H 81 8.201 8.201 7.681 0.520 18389 15000 1 17 . 1 1 82 82 ALA N N 82 128.019 128.019 127.065 0.954 18389 15001 1 17 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.457 0.505 18389 15002 1 17 . 1 1 82 82 ALA C C 82 173.332 173.332 176.572 -3.240 18389 15003 1 17 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.866 -2.787 18389 15004 1 17 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.718 -3.148 18389 15005 1 17 . 1 1 82 82 ALA H H 82 8.613 8.613 8.451 0.162 18389 15006 1 17 . 1 1 83 83 ASN N N 83 119.651 119.651 117.480 2.171 18389 15007 1 17 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.503 0.559 18389 15008 1 17 . 1 1 83 83 ASN C C 83 170.848 170.848 174.896 -4.048 18389 15009 1 17 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.252 -1.492 18389 15010 1 17 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.989 -0.200 18389 15011 1 17 . 1 1 83 83 ASN H H 83 8.153 8.153 7.890 0.263 18389 15012 1 17 . 1 1 84 84 GLU N N 84 127.150 127.150 118.540 8.610 18389 15013 1 17 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.656 0.056 18389 15014 1 17 . 1 1 84 84 GLU C C 84 171.647 171.647 175.554 -3.907 18389 15015 1 17 . 1 1 84 84 GLU CA C 84 54.772 54.772 55.807 -1.035 18389 15016 1 17 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.978 -2.277 18389 15017 1 17 . 1 1 84 84 GLU H H 84 8.122 8.122 8.299 -0.177 18389 15018 1 17 . 1 1 85 85 ILE N N 85 117.590 117.590 111.545 6.045 18389 15019 1 17 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.752 -0.119 18389 15020 1 17 . 1 1 85 85 ILE C C 85 171.902 171.902 174.253 -2.351 18389 15021 1 17 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.116 -1.085 18389 15022 1 17 . 1 1 85 85 ILE CB C 85 40.252 40.252 42.240 -1.988 18389 15023 1 17 . 1 1 85 85 ILE H H 85 8.910 8.910 8.497 0.413 18389 15024 1 17 . 1 1 86 86 ARG N N 86 116.697 116.697 120.308 -3.611 18389 15025 1 17 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.854 0.542 18389 15026 1 17 . 1 1 86 86 ARG C C 86 171.787 171.787 175.113 -3.326 18389 15027 1 17 . 1 1 86 86 ARG CA C 86 53.115 53.115 53.831 -0.716 18389 15028 1 17 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.316 -1.254 18389 15029 1 17 . 1 1 86 86 ARG H H 86 9.149 9.149 8.631 0.518 18389 15030 1 17 . 1 1 87 87 PHE N N 87 123.607 123.607 123.853 -0.246 18389 15031 1 17 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.696 -0.208 18389 15032 1 17 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.502 -1.685 18389 15033 1 17 . 1 1 87 87 PHE CB C 87 40.112 40.112 41.816 -1.704 18389 15034 1 17 . 1 1 87 87 PHE H H 87 9.235 9.235 9.152 0.083 18389 15035 1 17 . 1 1 88 88 MET N N 88 129.893 129.893 123.254 6.639 18389 15036 1 17 . 1 1 88 88 MET HA H 88 5.836 5.836 5.547 0.289 18389 15037 1 17 . 1 1 88 88 MET C C 88 170.768 170.768 174.165 -3.397 18389 15038 1 17 . 1 1 88 88 MET CA C 88 51.118 51.118 54.562 -3.444 18389 15039 1 17 . 1 1 88 88 MET CB C 88 37.224 37.224 37.290 -0.066 18389 15040 1 17 . 1 1 88 88 MET H H 88 8.868 8.868 8.921 -0.053 18389 15041 1 17 . 1 1 89 89 ILE N N 89 124.630 124.630 123.989 0.641 18389 15042 1 17 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.267 -0.729 18389 15043 1 17 . 1 1 89 89 ILE C C 89 171.047 171.047 174.186 -3.139 18389 15044 1 17 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.252 -1.281 18389 15045 1 17 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.316 -3.397 18389 15046 1 17 . 1 1 89 89 ILE H H 89 9.258 9.258 9.265 -0.007 18389 15047 1 17 . 1 1 90 90 ALA N N 90 128.743 128.743 127.327 1.416 18389 15048 1 17 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.632 0.034 18389 15049 1 17 . 1 1 90 90 ALA C C 90 176.041 176.041 176.393 -0.352 18389 15050 1 17 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.462 -2.640 18389 15051 1 17 . 1 1 90 90 ALA CB C 90 18.331 18.331 22.555 -4.224 18389 15052 1 17 . 1 1 90 90 ALA H H 90 8.749 8.749 9.128 -0.379 18389 15053 1 17 . 1 1 91 91 GLU N N 91 121.616 121.616 122.660 -1.044 18389 15054 1 17 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.733 -0.015 18389 15055 1 17 . 1 1 91 91 GLU C C 91 174.217 174.217 176.766 -2.549 18389 15056 1 17 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.536 -2.393 18389 15057 1 17 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.915 -2.068 18389 15058 1 17 . 1 1 91 91 GLU H H 91 8.749 8.749 8.711 0.038 18389 15059 1 17 . 1 1 92 92 LYS N N 92 117.975 117.975 120.560 -2.585 18389 15060 1 17 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.227 0.142 18389 15061 1 17 . 1 1 92 92 LYS C C 92 174.743 174.743 177.014 -2.271 18389 15062 1 17 . 1 1 92 92 LYS CA C 92 54.360 54.360 57.114 -2.754 18389 15063 1 17 . 1 1 92 92 LYS CB C 92 30.656 30.656 32.939 -2.283 18389 15064 1 17 . 1 1 92 92 LYS H H 92 8.014 8.014 8.539 -0.525 18389 15065 1 17 . 1 1 93 93 SER N N 93 115.092 115.092 116.732 -1.640 18389 15066 1 17 . 1 1 93 93 SER HA H 93 4.215 4.215 4.722 -0.507 18389 15067 1 17 . 1 1 93 93 SER C C 93 174.964 174.964 175.773 -0.809 18389 15068 1 17 . 1 1 93 93 SER CA C 93 53.874 53.874 57.343 -3.469 18389 15069 1 17 . 1 1 93 93 SER CB C 93 61.736 61.736 63.942 -2.206 18389 15070 1 17 . 1 1 93 93 SER H H 93 8.083 8.083 8.649 -0.566 18389 15071 1 17 . 1 1 94 94 ILE N N 94 121.880 121.880 121.343 0.537 18389 15072 1 17 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.206 0.180 18389 15073 1 17 . 1 1 94 94 ILE C C 94 174.020 174.020 176.581 -2.561 18389 15074 1 17 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.135 -1.790 18389 15075 1 17 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.192 -2.191 18389 15076 1 17 . 1 1 94 94 ILE H H 94 9.150 9.150 8.505 0.645 18389 15077 1 17 . 1 1 95 95 ASN N N 95 117.349 117.349 118.701 -1.352 18389 15078 1 17 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.840 0.215 18389 15079 1 17 . 1 1 95 95 ASN C C 95 173.659 173.659 175.712 -2.053 18389 15080 1 17 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.168 -3.781 18389 15081 1 17 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.434 -2.768 18389 15082 1 17 . 1 1 95 95 ASN H H 95 8.163 8.163 8.189 -0.026 18389 15083 1 17 . 1 1 96 96 GLY N N 96 106.957 106.957 108.585 -1.628 18389 15084 1 17 . 1 1 96 96 GLY C C 96 170.704 170.704 174.259 -3.555 18389 15085 1 17 . 1 1 96 96 GLY CA C 96 43.319 43.319 44.969 -1.650 18389 15086 1 17 . 1 1 96 96 GLY H H 96 7.530 7.530 7.820 -0.290 18389 15087 1 17 . 1 1 97 97 VAL N N 97 119.393 119.393 120.805 -1.412 18389 15088 1 17 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.356 -0.002 18389 15089 1 17 . 1 1 97 97 VAL C C 97 173.622 173.622 176.704 -3.082 18389 15090 1 17 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.066 -1.924 18389 15091 1 17 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.650 -2.878 18389 15092 1 17 . 1 1 97 97 VAL H H 97 7.650 7.650 7.291 0.359 18389 15093 1 17 . 1 1 98 98 GLY N N 98 115.075 115.075 110.949 4.126 18389 15094 1 17 . 1 1 98 98 GLY C C 98 170.065 170.065 174.085 -4.020 18389 15095 1 17 . 1 1 98 98 GLY CA C 98 42.739 42.739 46.068 -3.329 18389 15096 1 17 . 1 1 98 98 GLY H H 98 8.712 8.712 8.559 0.153 18389 15097 1 17 . 1 1 99 99 ASP N N 99 119.064 119.064 118.228 0.836 18389 15098 1 17 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.850 -0.175 18389 15099 1 17 . 1 1 99 99 ASP C C 99 172.502 172.502 174.706 -2.204 18389 15100 1 17 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.097 -2.516 18389 15101 1 17 . 1 1 99 99 ASP CB C 99 39.195 39.195 43.748 -4.553 18389 15102 1 17 . 1 1 99 99 ASP H H 99 8.746 8.746 7.463 1.283 18389 15103 1 17 . 1 1 100 100 GLY N N 100 109.333 109.333 107.094 2.239 18389 15104 1 17 . 1 1 100 100 GLY C C 100 167.638 167.638 173.362 -5.724 18389 15105 1 17 . 1 1 100 100 GLY CA C 100 40.109 40.109 44.586 -4.477 18389 15106 1 17 . 1 1 100 100 GLY H H 100 8.285 8.285 8.384 -0.099 18389 15107 1 17 . 1 1 101 101 GLU N N 101 120.835 120.835 121.406 -0.571 18389 15108 1 17 . 1 1 101 101 GLU HA H 101 4.727 4.727 3.958 0.769 18389 15109 1 17 . 1 1 101 101 GLU C C 101 173.652 173.652 175.616 -1.964 18389 15110 1 17 . 1 1 101 101 GLU CA C 101 55.449 55.449 56.566 -1.117 18389 15111 1 17 . 1 1 101 101 GLU CB C 101 31.014 31.014 30.357 0.657 18389 15112 1 17 . 1 1 101 101 GLU H H 101 8.339 8.339 8.467 -0.128 18389 15113 1 17 . 1 1 102 102 HIS N N 102 126.597 126.597 122.346 4.251 18389 15114 1 17 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.066 0.340 18389 15115 1 17 . 1 1 102 102 HIS C C 102 174.479 174.479 174.807 -0.328 18389 15116 1 17 . 1 1 102 102 HIS CA C 102 52.912 52.912 55.026 -2.114 18389 15117 1 17 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.697 2.059 18389 15118 1 17 . 1 1 102 102 HIS H H 102 10.029 10.029 8.285 1.744 18389 15119 1 17 . 1 1 103 103 TRP N N 103 125.616 125.616 121.602 4.014 18389 15120 1 17 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.104 -0.073 18389 15121 1 17 . 1 1 103 103 TRP C C 103 173.236 173.236 174.867 -1.631 18389 15122 1 17 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.463 -1.630 18389 15123 1 17 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.573 -3.383 18389 15124 1 17 . 1 1 103 103 TRP H H 103 9.242 9.242 9.361 -0.119 18389 15125 1 17 . 1 1 104 104 VAL N N 104 114.086 114.086 118.688 -4.602 18389 15126 1 17 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.546 0.587 18389 15127 1 17 . 1 1 104 104 VAL C C 104 173.194 173.194 174.090 -0.896 18389 15128 1 17 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.523 -2.194 18389 15129 1 17 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.236 0.207 18389 15130 1 17 . 1 1 104 104 VAL H H 104 10.273 10.273 8.726 1.547 18389 15131 1 17 . 1 1 105 105 TYR N N 105 123.278 123.278 124.518 -1.240 18389 15132 1 17 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.969 -0.309 18389 15133 1 17 . 1 1 105 105 TYR C C 105 172.030 172.030 173.742 -1.712 18389 15134 1 17 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.093 -0.371 18389 15135 1 17 . 1 1 105 105 TYR CB C 105 40.973 40.973 42.383 -1.411 18389 15136 1 17 . 1 1 105 105 TYR H H 105 9.219 9.219 8.782 0.437 18389 15137 1 17 . 1 1 106 106 SER N N 106 123.619 123.619 116.277 7.342 18389 15138 1 17 . 1 1 106 106 SER HA H 106 5.226 5.226 5.185 0.041 18389 15139 1 17 . 1 1 106 106 SER C C 106 170.291 170.291 172.298 -2.007 18389 15140 1 17 . 1 1 106 106 SER CA C 106 56.800 56.800 56.957 -0.157 18389 15141 1 17 . 1 1 106 106 SER CB C 106 61.265 61.265 65.809 -4.544 18389 15142 1 17 . 1 1 106 106 SER H H 106 7.768 7.768 7.291 0.477 18389 15143 1 17 . 1 1 107 107 ILE N N 107 120.192 120.192 118.783 1.409 18389 15144 1 17 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.554 0.205 18389 15145 1 17 . 1 1 107 107 ILE C C 107 171.471 171.471 173.642 -2.171 18389 15146 1 17 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.306 -2.295 18389 15147 1 17 . 1 1 107 107 ILE CB C 107 39.759 39.759 42.058 -2.299 18389 15148 1 17 . 1 1 107 107 ILE H H 107 8.942 8.942 8.630 0.312 18389 15149 1 17 . 1 1 108 108 THR N N 108 118.723 118.723 111.919 6.804 18389 15150 1 17 . 1 1 108 108 THR HA H 108 5.017 5.017 4.843 0.174 18389 15151 1 17 . 1 1 108 108 THR C C 108 170.359 170.359 172.932 -2.573 18389 15152 1 17 . 1 1 108 108 THR CA C 108 56.686 56.686 58.097 -1.411 18389 15153 1 17 . 1 1 108 108 THR CB C 108 67.488 67.488 69.562 -2.074 18389 15154 1 17 . 1 1 108 108 THR H H 108 8.718 8.718 8.135 0.583 18389 15155 1 17 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.832 -0.422 18389 15156 1 17 . 1 1 109 109 PRO C C 109 171.443 171.443 175.750 -4.307 18389 15157 1 17 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.181 -2.357 18389 15158 1 17 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.148 -3.170 18389 15159 1 17 . 1 1 110 110 ASP N N 110 122.785 122.785 117.582 5.203 18389 15160 1 17 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.966 0.182 18389 15161 1 17 . 1 1 110 110 ASP C C 110 174.113 174.113 176.775 -2.662 18389 15162 1 17 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.449 -3.393 18389 15163 1 17 . 1 1 110 110 ASP CB C 110 40.689 40.689 44.718 -4.029 18389 15164 1 17 . 1 1 110 110 ASP H H 110 9.061 9.061 7.960 1.101 18389 15165 1 17 . 1 1 111 111 SER N N 111 112.595 112.595 115.146 -2.551 18389 15166 1 17 . 1 1 111 111 SER HA H 111 4.432 4.432 4.570 -0.138 18389 15167 1 17 . 1 1 111 111 SER CA C 111 58.333 58.333 60.049 -1.716 18389 15168 1 17 . 1 1 111 111 SER CB C 111 61.046 61.046 63.759 -2.713 18389 15169 1 17 . 1 1 111 111 SER H H 111 8.435 8.435 8.505 -0.070 18389 15170 1 17 . 1 1 112 112 SER N N 112 116.615 116.615 116.239 0.376 18389 15171 1 17 . 1 1 112 112 SER HA H 112 4.862 4.862 4.433 0.429 18389 15172 1 17 . 1 1 112 112 SER C C 112 170.519 170.519 174.273 -3.754 18389 15173 1 17 . 1 1 112 112 SER CA C 112 54.017 54.017 56.726 -2.709 18389 15174 1 17 . 1 1 112 112 SER CB C 112 62.948 62.948 63.930 -0.982 18389 15175 1 17 . 1 1 112 112 SER H H 112 8.035 8.035 7.631 0.404 18389 15176 1 17 . 1 1 113 113 TRP N N 113 120.576 120.576 124.039 -3.463 18389 15177 1 17 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.295 0.259 18389 15178 1 17 . 1 1 113 113 TRP C C 113 174.599 174.599 176.136 -1.537 18389 15179 1 17 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.500 -0.618 18389 15180 1 17 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.344 -1.984 18389 15181 1 17 . 1 1 113 113 TRP H H 113 8.318 8.318 8.746 -0.428 18389 15182 1 17 . 1 1 114 114 LYS N N 114 123.372 123.372 125.154 -1.782 18389 15183 1 17 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.730 0.164 18389 15184 1 17 . 1 1 114 114 LYS C C 114 172.772 172.772 175.416 -2.644 18389 15185 1 17 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.126 -2.178 18389 15186 1 17 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.243 -0.993 18389 15187 1 17 . 1 1 114 114 LYS H H 114 8.782 8.782 8.277 0.505 18389 15188 1 17 . 1 1 115 115 THR N N 115 120.929 120.929 123.005 -2.076 18389 15189 1 17 . 1 1 115 115 THR HA H 115 5.226 5.226 4.722 0.504 18389 15190 1 17 . 1 1 115 115 THR C C 115 171.778 171.778 174.317 -2.539 18389 15191 1 17 . 1 1 115 115 THR CA C 115 59.671 59.671 62.647 -2.976 18389 15192 1 17 . 1 1 115 115 THR CB C 115 66.938 66.938 68.899 -1.961 18389 15193 1 17 . 1 1 115 115 THR H H 115 8.689 8.689 8.714 -0.025 18389 15194 1 17 . 1 1 116 116 ILE N N 116 131.929 131.929 129.144 2.785 18389 15195 1 17 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.192 -0.008 18389 15196 1 17 . 1 1 116 116 ILE C C 116 171.012 171.012 174.653 -3.641 18389 15197 1 17 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.212 -3.856 18389 15198 1 17 . 1 1 116 116 ILE CB C 116 34.331 34.331 38.014 -3.683 18389 15199 1 17 . 1 1 116 116 ILE H H 116 9.470 9.470 8.957 0.513 18389 15200 1 17 . 1 1 117 117 GLU N N 117 124.514 124.514 128.630 -4.116 18389 15201 1 17 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.344 0.526 18389 15202 1 17 . 1 1 117 117 GLU C C 117 173.332 173.332 175.861 -2.529 18389 15203 1 17 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.077 -4.279 18389 15204 1 17 . 1 1 117 117 GLU CB C 117 29.693 29.693 28.986 0.707 18389 15205 1 17 . 1 1 117 117 GLU H H 117 8.089 8.089 8.448 -0.359 18389 15206 1 17 . 1 1 118 118 ILE N N 118 125.005 125.005 125.167 -0.162 18389 15207 1 17 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.248 0.175 18389 15208 1 17 . 1 1 118 118 ILE C C 118 171.765 171.765 174.044 -2.279 18389 15209 1 17 . 1 1 118 118 ILE CA C 118 55.640 55.640 56.987 -1.347 18389 15210 1 17 . 1 1 118 118 ILE CB C 118 37.429 37.429 37.084 0.346 18389 15211 1 17 . 1 1 118 118 ILE H H 118 9.322 9.322 7.750 1.572 18389 15212 1 17 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.288 0.549 18389 15213 1 17 . 1 1 119 119 PRO C C 119 176.780 176.780 177.305 -0.525 18389 15214 1 17 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.501 -2.097 18389 15215 1 17 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.787 -3.722 18389 15216 1 17 . 1 1 120 120 PHE N N 120 124.627 124.627 118.210 6.417 18389 15217 1 17 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.638 0.356 18389 15218 1 17 . 1 1 120 120 PHE C C 120 175.402 175.402 175.907 -0.505 18389 15219 1 17 . 1 1 120 120 PHE CA C 120 59.272 59.272 58.871 0.401 18389 15220 1 17 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.874 -2.629 18389 15221 1 17 . 1 1 120 120 PHE H H 120 8.160 8.160 8.008 0.152 18389 15222 1 17 . 1 1 121 121 SER N N 121 110.551 110.551 112.705 -2.154 18389 15223 1 17 . 1 1 121 121 SER HA H 121 4.647 4.647 4.391 0.256 18389 15224 1 17 . 1 1 121 121 SER C C 121 173.187 173.187 175.756 -2.569 18389 15225 1 17 . 1 1 121 121 SER CA C 121 57.359 57.359 58.935 -1.576 18389 15226 1 17 . 1 1 121 121 SER CB C 121 60.639 60.639 64.162 -3.523 18389 15227 1 17 . 1 1 121 121 SER H H 121 8.367 8.367 8.059 0.308 18389 15228 1 17 . 1 1 122 122 SER N N 122 117.166 117.166 118.925 -1.759 18389 15229 1 17 . 1 1 122 122 SER HA H 122 4.946 4.946 4.243 0.703 18389 15230 1 17 . 1 1 122 122 SER C C 122 172.296 172.296 174.662 -2.366 18389 15231 1 17 . 1 1 122 122 SER CA C 122 57.525 57.525 59.573 -2.048 18389 15232 1 17 . 1 1 122 122 SER CB C 122 61.716 61.716 63.125 -1.409 18389 15233 1 17 . 1 1 122 122 SER H H 122 8.537 8.537 7.514 1.023 18389 15234 1 17 . 1 1 123 123 PHE N N 123 119.840 119.840 119.742 0.098 18389 15235 1 17 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.776 -0.129 18389 15236 1 17 . 1 1 123 123 PHE C C 123 173.527 173.527 176.414 -2.887 18389 15237 1 17 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.852 -1.074 18389 15238 1 17 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.839 -1.292 18389 15239 1 17 . 1 1 123 123 PHE H H 123 7.807 7.807 7.820 -0.013 18389 15240 1 17 . 1 1 124 124 ARG N N 124 120.098 120.098 121.371 -1.273 18389 15241 1 17 . 1 1 124 124 ARG HA H 124 5.341 5.341 4.905 0.436 18389 15242 1 17 . 1 1 124 124 ARG C C 124 172.631 172.631 175.689 -3.058 18389 15243 1 17 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.630 -3.305 18389 15244 1 17 . 1 1 124 124 ARG CB C 124 30.721 30.721 34.133 -3.412 18389 15245 1 17 . 1 1 124 124 ARG H H 124 9.297 9.297 9.244 0.053 18389 15246 1 17 . 1 1 125 125 ARG N N 125 126.739 126.739 125.433 1.306 18389 15247 1 17 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.082 -1.120 18389 15248 1 17 . 1 1 125 125 ARG C C 125 174.319 174.319 175.895 -1.576 18389 15249 1 17 . 1 1 125 125 ARG CA C 125 55.036 55.036 56.243 -1.207 18389 15250 1 17 . 1 1 125 125 ARG CB C 125 27.348 27.348 31.122 -3.774 18389 15251 1 17 . 1 1 125 125 ARG H H 125 8.611 8.611 8.879 -0.268 18389 15252 1 17 . 1 1 126 126 ARG N N 126 126.556 126.556 127.004 -0.448 18389 15253 1 17 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.564 -0.600 18389 15254 1 17 . 1 1 126 126 ARG C C 126 174.021 174.021 175.281 -1.260 18389 15255 1 17 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.635 -0.097 18389 15256 1 17 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.579 -0.840 18389 15257 1 17 . 1 1 126 126 ARG H H 126 7.917 7.917 8.467 -0.550 18389 15258 1 17 . 1 1 127 127 LEU N N 127 124.550 124.550 121.756 2.794 18389 15259 1 17 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.376 0.278 18389 15260 1 17 . 1 1 127 127 LEU C C 127 175.775 175.775 177.741 -1.966 18389 15261 1 17 . 1 1 127 127 LEU CA C 127 53.208 53.208 56.520 -3.312 18389 15262 1 17 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.035 -0.657 18389 15263 1 17 . 1 1 127 127 LEU H H 127 8.817 8.817 8.530 0.287 18389 15264 1 17 . 1 1 128 128 ASP N N 128 116.209 116.209 115.998 0.211 18389 15265 1 17 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.648 -0.099 18389 15266 1 17 . 1 1 128 128 ASP C C 128 172.491 172.491 176.519 -4.028 18389 15267 1 17 . 1 1 128 128 ASP CA C 128 52.492 52.492 54.015 -1.523 18389 15268 1 17 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.922 -5.340 18389 15269 1 17 . 1 1 128 128 ASP H H 128 9.072 9.072 8.020 1.052 18389 15270 1 17 . 1 1 129 129 TYR N N 129 119.329 119.329 124.361 -5.032 18389 15271 1 17 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.510 -0.157 18389 15272 1 17 . 1 1 129 129 TYR C C 129 169.992 169.992 174.084 -4.092 18389 15273 1 17 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.834 -1.489 18389 15274 1 17 . 1 1 129 129 TYR CB C 129 38.447 38.447 37.085 1.362 18389 15275 1 17 . 1 1 129 129 TYR H H 129 7.002 7.002 8.076 -1.074 18389 15276 1 17 . 1 1 130 130 GLN N N 130 121.469 121.469 124.847 -3.378 18389 15277 1 17 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.327 -0.418 18389 15278 1 17 . 1 1 130 130 GLN C C 130 170.223 170.223 173.508 -3.285 18389 15279 1 17 . 1 1 130 130 GLN CA C 130 49.789 49.789 53.089 -3.300 18389 15280 1 17 . 1 1 130 130 GLN CB C 130 29.625 29.625 29.611 0.014 18389 15281 1 17 . 1 1 130 130 GLN H H 130 6.288 6.288 7.748 -1.460 18389 15282 1 17 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.433 -0.023 18389 15283 1 17 . 1 1 132 132 PRO C C 132 175.720 175.720 177.370 -1.650 18389 15284 1 17 . 1 1 132 132 PRO CA C 132 62.073 62.073 64.285 -2.212 18389 15285 1 17 . 1 1 132 132 PRO CB C 132 29.115 29.115 31.612 -2.497 18389 15286 1 17 . 1 1 133 133 GLY N N 133 104.558 104.558 107.532 -2.974 18389 15287 1 17 . 1 1 133 133 GLY C C 133 171.229 171.229 174.273 -3.044 18389 15288 1 17 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.807 -1.292 18389 15289 1 17 . 1 1 133 133 GLY H H 133 8.298 8.298 8.299 -0.001 18389 15290 1 17 . 1 1 134 134 GLN N N 134 116.684 116.684 119.572 -2.888 18389 15291 1 17 . 1 1 134 134 GLN HA H 134 4.367 4.367 3.981 0.386 18389 15292 1 17 . 1 1 134 134 GLN C C 134 172.815 172.815 174.808 -1.993 18389 15293 1 17 . 1 1 134 134 GLN CA C 134 53.804 53.804 55.492 -1.688 18389 15294 1 17 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.140 -4.274 18389 15295 1 17 . 1 1 134 134 GLN H H 134 7.273 7.273 7.335 -0.062 18389 15296 1 17 . 1 1 135 135 ASP N N 135 118.688 118.688 118.373 0.315 18389 15297 1 17 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.666 -0.304 18389 15298 1 17 . 1 1 135 135 ASP C C 135 174.301 174.301 176.246 -1.945 18389 15299 1 17 . 1 1 135 135 ASP CA C 135 51.810 51.810 53.608 -1.798 18389 15300 1 17 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.920 -5.016 18389 15301 1 17 . 1 1 135 135 ASP H H 135 8.844 8.844 8.379 0.465 18389 15302 1 17 . 1 1 136 136 MET N N 136 114.721 114.721 121.846 -7.125 18389 15303 1 17 . 1 1 136 136 MET HA H 136 4.035 4.035 4.498 -0.463 18389 15304 1 17 . 1 1 136 136 MET C C 136 174.252 174.252 176.913 -2.661 18389 15305 1 17 . 1 1 136 136 MET CA C 136 54.461 54.461 54.673 -0.212 18389 15306 1 17 . 1 1 136 136 MET CB C 136 29.439 29.439 31.562 -2.123 18389 15307 1 17 . 1 1 136 136 MET H H 136 7.585 7.585 8.743 -1.158 18389 15308 1 17 . 1 1 137 137 SER N N 137 118.130 118.130 114.663 3.467 18389 15309 1 17 . 1 1 137 137 SER HA H 137 4.392 4.392 4.354 0.038 18389 15310 1 17 . 1 1 137 137 SER C C 137 174.811 174.811 176.342 -1.531 18389 15311 1 17 . 1 1 137 137 SER CA C 137 57.841 57.841 59.311 -1.470 18389 15312 1 17 . 1 1 137 137 SER CB C 137 62.369 62.369 63.487 -1.118 18389 15313 1 17 . 1 1 137 137 SER H H 137 9.140 9.140 7.928 1.212 18389 15314 1 17 . 1 1 138 138 GLY N N 138 114.534 114.534 110.208 4.326 18389 15315 1 17 . 1 1 138 138 GLY C C 138 170.903 170.903 173.569 -2.666 18389 15316 1 17 . 1 1 138 138 GLY CA C 138 44.197 44.197 46.212 -2.015 18389 15317 1 17 . 1 1 138 138 GLY H H 138 10.549 10.549 8.585 1.964 18389 15318 1 17 . 1 1 139 139 THR N N 139 112.564 112.564 113.722 -1.158 18389 15319 1 17 . 1 1 139 139 THR HA H 139 4.538 4.538 4.468 0.070 18389 15320 1 17 . 1 1 139 139 THR C C 139 168.086 168.086 172.781 -4.695 18389 15321 1 17 . 1 1 139 139 THR CA C 139 57.132 57.132 60.986 -3.854 18389 15322 1 17 . 1 1 139 139 THR CB C 139 68.854 68.854 72.313 -3.459 18389 15323 1 17 . 1 1 139 139 THR H H 139 8.504 8.504 7.681 0.823 18389 15324 1 17 . 1 1 140 140 LEU N N 140 129.971 129.971 120.803 9.168 18389 15325 1 17 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.344 -0.573 18389 15326 1 17 . 1 1 140 140 LEU C C 140 172.175 172.175 175.201 -3.026 18389 15327 1 17 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.699 -2.364 18389 15328 1 17 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.904 -6.032 18389 15329 1 17 . 1 1 140 140 LEU H H 140 7.900 7.900 7.517 0.383 18389 15330 1 17 . 1 1 141 141 ASP N N 141 132.200 132.200 125.196 7.004 18389 15331 1 17 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.739 -0.035 18389 15332 1 17 . 1 1 141 141 ASP C C 141 172.137 172.137 175.666 -3.529 18389 15333 1 17 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.429 -1.737 18389 15334 1 17 . 1 1 141 141 ASP CB C 141 38.561 38.561 42.384 -3.823 18389 15335 1 17 . 1 1 141 141 ASP H H 141 9.101 9.101 8.065 1.036 18389 15336 1 17 . 1 1 142 142 LEU N N 142 122.667 122.667 124.569 -1.902 18389 15337 1 17 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.913 -0.173 18389 15338 1 17 . 1 1 142 142 LEU CA C 142 53.747 53.747 54.187 -0.440 18389 15339 1 17 . 1 1 142 142 LEU CB C 142 39.898 39.898 39.490 0.408 18389 15340 1 17 . 1 1 142 142 LEU H H 142 7.799 7.799 8.624 -0.825 18389 15341 1 17 . 1 1 143 143 ASP N N 143 112.789 112.789 119.741 -6.952 18389 15342 1 17 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.603 0.313 18389 15343 1 17 . 1 1 143 143 ASP C C 143 173.547 173.547 175.567 -2.020 18389 15344 1 17 . 1 1 143 143 ASP CA C 143 51.101 51.101 54.799 -3.698 18389 15345 1 17 . 1 1 143 143 ASP CB C 143 37.298 37.298 43.381 -6.083 18389 15346 1 17 . 1 1 143 143 ASP H H 143 8.473 8.473 8.122 0.351 18389 15347 1 17 . 1 1 144 144 ASN N N 144 120.743 120.743 117.071 3.672 18389 15348 1 17 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.840 0.239 18389 15349 1 17 . 1 1 144 144 ASN C C 144 171.278 171.278 173.773 -2.495 18389 15350 1 17 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.500 -3.026 18389 15351 1 17 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.437 -2.257 18389 15352 1 17 . 1 1 144 144 ASN H H 144 7.867 7.867 7.547 0.320 18389 15353 1 17 . 1 1 145 145 ILE N N 145 122.844 122.844 120.393 2.451 18389 15354 1 17 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.082 -0.242 18389 15355 1 17 . 1 1 145 145 ILE C C 145 172.420 172.420 175.372 -2.952 18389 15356 1 17 . 1 1 145 145 ILE CA C 145 57.861 57.861 60.721 -2.860 18389 15357 1 17 . 1 1 145 145 ILE CB C 145 33.407 33.407 36.407 -3.000 18389 15358 1 17 . 1 1 145 145 ILE H H 145 8.770 8.770 7.718 1.052 18389 15359 1 17 . 1 1 146 146 ASP N N 146 125.428 125.428 127.017 -1.589 18389 15360 1 17 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.720 -0.067 18389 15361 1 17 . 1 1 146 146 ASP C C 146 172.931 172.931 175.731 -2.800 18389 15362 1 17 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.847 -2.495 18389 15363 1 17 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.914 -0.002 18389 15364 1 17 . 1 1 146 146 ASP H H 146 9.355 9.355 9.111 0.244 18389 15365 1 17 . 1 1 147 147 SER N N 147 108.442 108.442 111.409 -2.967 18389 15366 1 17 . 1 1 147 147 SER HA H 147 5.054 5.054 5.429 -0.375 18389 15367 1 17 . 1 1 147 147 SER C C 147 169.957 169.957 172.844 -2.887 18389 15368 1 17 . 1 1 147 147 SER CA C 147 54.584 54.584 57.093 -2.509 18389 15369 1 17 . 1 1 147 147 SER CB C 147 62.518 62.518 66.810 -4.292 18389 15370 1 17 . 1 1 147 147 SER H H 147 7.927 7.927 7.752 0.175 18389 15371 1 17 . 1 1 148 148 ILE N N 148 110.150 110.150 115.282 -5.132 18389 15372 1 17 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.199 0.450 18389 15373 1 17 . 1 1 148 148 ILE C C 148 171.932 171.932 173.755 -1.823 18389 15374 1 17 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.508 -2.886 18389 15375 1 17 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.472 -2.759 18389 15376 1 17 . 1 1 148 148 ILE H H 148 8.043 8.043 8.857 -0.814 18389 15377 1 17 . 1 1 149 149 HIS N N 149 118.612 118.612 122.337 -3.725 18389 15378 1 17 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.424 1.066 18389 15379 1 17 . 1 1 149 149 HIS C C 149 174.287 174.287 174.053 0.234 18389 15380 1 17 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.748 -2.846 18389 15381 1 17 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.819 -0.861 18389 15382 1 17 . 1 1 149 149 HIS H H 149 9.331 9.331 9.030 0.301 18389 15383 1 17 . 1 1 150 150 PHE N N 150 117.037 117.037 127.011 -9.974 18389 15384 1 17 . 1 1 150 150 PHE HA H 150 5.530 5.530 5.328 0.202 18389 15385 1 17 . 1 1 150 150 PHE C C 150 172.808 172.808 173.619 -0.811 18389 15386 1 17 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.207 0.296 18389 15387 1 17 . 1 1 150 150 PHE CB C 150 39.280 39.280 39.660 -0.381 18389 15388 1 17 . 1 1 150 150 PHE H H 150 8.788 8.788 8.306 0.482 18389 15389 1 17 . 1 1 151 151 MET N N 151 119.781 119.781 126.353 -6.572 18389 15390 1 17 . 1 1 151 151 MET HA H 151 4.664 4.664 4.569 0.095 18389 15391 1 17 . 1 1 151 151 MET C C 151 170.282 170.282 174.743 -4.461 18389 15392 1 17 . 1 1 151 151 MET CA C 151 52.146 52.146 52.591 -0.445 18389 15393 1 17 . 1 1 151 151 MET CB C 151 34.947 34.947 36.991 -2.044 18389 15394 1 17 . 1 1 151 151 MET H H 151 9.761 9.761 9.108 0.653 18389 15395 1 17 . 1 1 152 152 TYR N N 152 117.149 117.149 115.959 1.190 18389 15396 1 17 . 1 1 152 152 TYR HA H 152 4.076 4.076 5.147 -1.071 18389 15397 1 17 . 1 1 152 152 TYR C C 152 171.554 171.554 174.653 -3.099 18389 15398 1 17 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.779 -1.434 18389 15399 1 17 . 1 1 152 152 TYR CB C 152 36.904 36.904 39.050 -2.146 18389 15400 1 17 . 1 1 152 152 TYR H H 152 6.275 6.275 7.867 -1.592 18389 15401 1 17 . 1 1 153 153 ALA N N 153 121.523 121.523 125.645 -4.122 18389 15402 1 17 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.549 -0.386 18389 15403 1 17 . 1 1 153 153 ALA C C 153 173.777 173.777 175.632 -1.855 18389 15404 1 17 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.344 -3.159 18389 15405 1 17 . 1 1 153 153 ALA CB C 153 19.965 19.965 20.195 -0.230 18389 15406 1 17 . 1 1 153 153 ALA H H 153 10.019 10.019 8.700 1.319 18389 15407 1 17 . 1 1 154 154 ASN N N 154 114.643 114.643 115.941 -1.298 18389 15408 1 17 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.962 0.223 18389 15409 1 17 . 1 1 154 154 ASN C C 154 173.267 173.267 173.010 0.257 18389 15410 1 17 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.832 -2.917 18389 15411 1 17 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.034 -3.321 18389 15412 1 17 . 1 1 154 154 ASN H H 154 8.141 8.141 8.219 -0.078 18389 15413 1 17 . 1 1 156 156 LYS N N 156 119.099 119.099 120.656 -1.557 18389 15414 1 17 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.165 0.574 18389 15415 1 17 . 1 1 156 156 LYS C C 156 173.965 173.965 175.222 -1.257 18389 15416 1 17 . 1 1 156 156 LYS CA C 156 53.872 53.872 57.250 -3.378 18389 15417 1 17 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.082 -2.656 18389 15418 1 17 . 1 1 156 156 LYS H H 156 8.298 8.298 7.971 0.327 18389 15419 1 17 . 1 1 157 157 SER N N 157 115.584 115.584 116.012 -0.428 18389 15420 1 17 . 1 1 157 157 SER HA H 157 5.055 5.055 4.231 0.824 18389 15421 1 17 . 1 1 157 157 SER C C 157 169.925 169.925 173.129 -3.204 18389 15422 1 17 . 1 1 157 157 SER CA C 157 55.617 55.617 55.840 -0.223 18389 15423 1 17 . 1 1 157 157 SER CB C 157 63.180 63.180 64.312 -1.132 18389 15424 1 17 . 1 1 157 157 SER H H 157 8.240 8.240 8.009 0.231 18389 15425 1 17 . 1 1 158 158 GLY N N 158 108.219 108.219 108.826 -0.607 18389 15426 1 17 . 1 1 158 158 GLY C C 158 168.322 168.322 171.711 -3.389 18389 15427 1 17 . 1 1 158 158 GLY CA C 158 43.565 43.565 44.906 -1.341 18389 15428 1 17 . 1 1 158 158 GLY H H 158 6.942 6.942 8.203 -1.261 18389 15429 1 17 . 1 1 159 159 LYS N N 159 116.608 116.608 120.990 -4.382 18389 15430 1 17 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.582 -0.061 18389 15431 1 17 . 1 1 159 159 LYS C C 159 172.966 172.966 175.360 -2.394 18389 15432 1 17 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.876 -1.735 18389 15433 1 17 . 1 1 159 159 LYS CB C 159 34.705 34.705 35.499 -0.794 18389 15434 1 17 . 1 1 159 159 LYS H H 159 7.925 7.925 8.310 -0.385 18389 15435 1 17 . 1 1 160 160 PHE N N 160 121.804 121.804 122.939 -1.135 18389 15436 1 17 . 1 1 160 160 PHE HA H 160 5.525 5.525 4.982 0.543 18389 15437 1 17 . 1 1 160 160 PHE C C 160 168.125 168.125 172.262 -4.137 18389 15438 1 17 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.712 -3.397 18389 15439 1 17 . 1 1 160 160 PHE CB C 160 39.051 39.051 42.370 -3.319 18389 15440 1 17 . 1 1 160 160 PHE H H 160 8.834 8.834 9.129 -0.295 18389 15441 1 17 . 1 1 161 161 VAL N N 161 119.787 119.787 120.913 -1.126 18389 15442 1 17 . 1 1 161 161 VAL HA H 161 5.378 5.378 4.846 0.532 18389 15443 1 17 . 1 1 161 161 VAL C C 161 170.736 170.736 174.474 -3.738 18389 15444 1 17 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.983 -3.327 18389 15445 1 17 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.755 -3.818 18389 15446 1 17 . 1 1 161 161 VAL H H 161 9.277 9.277 8.481 0.796 18389 15447 1 17 . 1 1 162 162 VAL N N 162 121.357 121.357 120.997 0.360 18389 15448 1 17 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.049 0.918 18389 15449 1 17 . 1 1 162 162 VAL C C 162 170.928 170.928 174.296 -3.368 18389 15450 1 17 . 1 1 162 162 VAL CA C 162 55.686 55.686 60.286 -4.601 18389 15451 1 17 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.552 -1.710 18389 15452 1 17 . 1 1 162 162 VAL H H 162 8.453 8.453 8.518 -0.065 18389 15453 1 17 . 1 1 163 163 ASP N N 163 119.088 119.088 121.436 -2.348 18389 15454 1 17 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.290 0.289 18389 15455 1 17 . 1 1 163 163 ASP C C 163 172.563 172.563 174.513 -1.950 18389 15456 1 17 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.778 -3.296 18389 15457 1 17 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.407 -2.944 18389 15458 1 17 . 1 1 163 163 ASP H H 163 9.233 9.233 9.065 0.168 18389 15459 1 17 . 1 1 164 164 ASN N N 164 117.316 117.316 116.721 0.595 18389 15460 1 17 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.266 0.383 18389 15461 1 17 . 1 1 164 164 ASN C C 164 170.940 170.940 174.233 -3.293 18389 15462 1 17 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.330 -1.657 18389 15463 1 17 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.256 -1.861 18389 15464 1 17 . 1 1 164 164 ASN H H 164 9.864 9.864 8.910 0.954 18389 15465 1 17 . 1 1 165 165 ILE N N 165 118.660 118.660 120.596 -1.936 18389 15466 1 17 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.389 1.050 18389 15467 1 17 . 1 1 165 165 ILE C C 165 173.336 173.336 175.140 -1.804 18389 15468 1 17 . 1 1 165 165 ILE CA C 165 59.155 59.155 61.988 -2.833 18389 15469 1 17 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.381 -2.194 18389 15470 1 17 . 1 1 165 165 ILE H H 165 8.716 8.716 8.406 0.310 18389 15471 1 17 . 1 1 166 166 LYS N N 166 127.896 127.896 125.853 2.043 18389 15472 1 17 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.232 -0.054 18389 15473 1 17 . 1 1 166 166 LYS C C 166 170.453 170.453 174.599 -4.146 18389 15474 1 17 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.980 -1.456 18389 15475 1 17 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.947 -1.701 18389 15476 1 17 . 1 1 166 166 LYS H H 166 9.921 9.921 8.910 1.011 18389 15477 1 17 . 1 1 167 167 LEU N N 167 120.747 120.747 121.894 -1.147 18389 15478 1 17 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.789 0.047 18389 15479 1 17 . 1 1 167 167 LEU C C 167 173.703 173.703 175.386 -1.683 18389 15480 1 17 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.591 -3.012 18389 15481 1 17 . 1 1 167 167 LEU CB C 167 40.711 40.711 44.053 -3.342 18389 15482 1 17 . 1 1 167 167 LEU H H 167 8.552 8.552 8.593 -0.041 18389 15483 1 17 . 1 1 168 168 ILE N N 168 116.914 116.914 121.826 -4.912 18389 15484 1 17 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.710 0.279 18389 15485 1 17 . 1 1 168 168 ILE C C 168 173.923 173.923 176.421 -2.498 18389 15486 1 17 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.282 -0.906 18389 15487 1 17 . 1 1 168 168 ILE CB C 168 38.938 38.938 38.021 0.917 18389 15488 1 17 . 1 1 168 168 ILE H H 168 8.523 8.523 9.030 -0.507 18389 15489 1 17 . 1 1 169 169 GLY N N 169 114.527 114.527 114.225 0.302 18389 15490 1 17 . 1 1 169 169 GLY C C 169 169.252 169.252 173.882 -4.630 18389 15491 1 17 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.551 -1.626 18389 15492 1 17 . 1 1 169 169 GLY H H 169 8.942 8.942 8.888 0.054 18389 15493 1 17 . 1 1 170 170 ALA N N 170 123.678 123.678 122.691 0.987 18389 15494 1 17 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.864 -0.440 18389 15495 1 17 . 1 1 170 170 ALA C C 170 174.985 174.985 175.883 -0.898 18389 15496 1 17 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.151 -1.807 18389 15497 1 17 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.910 -3.823 18389 15498 1 17 . 1 1 170 170 ALA H H 170 8.321 8.321 7.374 0.947 18389 15499 1 17 . 1 1 171 171 LEU N N 171 122.139 122.139 114.794 7.345 18389 15500 1 17 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.667 -0.262 18389 15501 1 17 . 1 1 171 171 LEU C C 171 174.478 174.478 175.795 -1.317 18389 15502 1 17 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.663 -2.030 18389 15503 1 17 . 1 1 171 171 LEU CB C 171 40.111 40.111 43.007 -2.896 18389 15504 1 17 . 1 1 171 171 LEU H H 171 8.182 8.182 8.314 -0.132 18389 15505 1 18 . 1 1 2 2 ALA N N 2 119.048 119.048 126.447 -7.399 18389 15506 1 18 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.732 -0.448 18389 15507 1 18 . 1 1 2 2 ALA C C 2 174.144 174.144 176.043 -1.899 18389 15508 1 18 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.913 -3.530 18389 15509 1 18 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.993 -0.164 18389 15510 1 18 . 1 1 2 2 ALA H H 2 9.577 9.577 8.578 0.999 18389 15511 1 18 . 1 1 3 3 SER N N 3 114.278 114.278 113.619 0.659 18389 15512 1 18 . 1 1 3 3 SER C C 3 173.040 173.040 173.804 -0.764 18389 15513 1 18 . 1 1 3 3 SER H H 3 8.152 8.152 8.487 -0.335 18389 15514 1 18 . 1 1 6 6 GLY N N 6 112.362 112.362 107.626 4.736 18389 15515 1 18 . 1 1 6 6 GLY C C 6 170.686 170.686 173.515 -2.829 18389 15516 1 18 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.815 -2.502 18389 15517 1 18 . 1 1 6 6 GLY H H 6 8.750 8.750 8.368 0.382 18389 15518 1 18 . 1 1 7 7 GLU N N 7 117.722 117.722 119.058 -1.336 18389 15519 1 18 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.954 0.475 18389 15520 1 18 . 1 1 7 7 GLU C C 7 172.744 172.744 174.599 -1.855 18389 15521 1 18 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.303 -2.054 18389 15522 1 18 . 1 1 7 7 GLU CB C 7 31.170 31.170 31.890 -0.720 18389 15523 1 18 . 1 1 7 7 GLU H H 7 8.078 8.078 7.661 0.417 18389 15524 1 18 . 1 1 8 8 LYS N N 8 122.832 122.832 126.725 -3.893 18389 15525 1 18 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.519 0.020 18389 15526 1 18 . 1 1 8 8 LYS C C 8 171.963 171.963 175.753 -3.790 18389 15527 1 18 . 1 1 8 8 LYS CA C 8 52.565 52.565 55.601 -3.036 18389 15528 1 18 . 1 1 8 8 LYS CB C 8 33.185 33.185 32.793 0.392 18389 15529 1 18 . 1 1 8 8 LYS H H 8 8.434 8.434 7.559 0.875 18389 15530 1 18 . 1 1 9 9 MET N N 9 128.562 128.562 126.010 2.552 18389 15531 1 18 . 1 1 9 9 MET HA H 9 4.536 4.536 4.657 -0.121 18389 15532 1 18 . 1 1 9 9 MET C C 9 172.911 172.911 175.505 -2.594 18389 15533 1 18 . 1 1 9 9 MET CA C 9 53.012 53.012 56.350 -3.338 18389 15534 1 18 . 1 1 9 9 MET CB C 9 28.376 28.376 33.462 -5.086 18389 15535 1 18 . 1 1 9 9 MET H H 9 8.984 8.984 8.308 0.676 18389 15536 1 18 . 1 1 10 10 LEU N N 10 129.881 129.881 122.461 7.420 18389 15537 1 18 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.809 -0.145 18389 15538 1 18 . 1 1 10 10 LEU C C 10 174.887 174.887 177.222 -2.335 18389 15539 1 18 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.331 -2.118 18389 15540 1 18 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.635 -3.236 18389 15541 1 18 . 1 1 10 10 LEU H H 10 9.751 9.751 9.007 0.744 18389 15542 1 18 . 1 1 11 11 ASP N N 11 115.516 115.516 118.187 -2.671 18389 15543 1 18 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.822 -0.099 18389 15544 1 18 . 1 1 11 11 ASP C C 11 170.836 170.836 174.366 -3.530 18389 15545 1 18 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.744 -0.161 18389 15546 1 18 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.571 -3.352 18389 15547 1 18 . 1 1 11 11 ASP H H 11 8.110 8.110 7.578 0.532 18389 15548 1 18 . 1 1 12 12 ASP N N 12 124.144 124.144 118.300 5.844 18389 15549 1 18 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.705 0.146 18389 15550 1 18 . 1 1 12 12 ASP C C 12 175.055 175.055 173.997 1.058 18389 15551 1 18 . 1 1 12 12 ASP CA C 12 50.310 50.310 53.944 -3.635 18389 15552 1 18 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.679 -3.484 18389 15553 1 18 . 1 1 12 12 ASP H H 12 8.053 8.053 7.195 0.858 18389 15554 1 18 . 1 1 13 13 PHE N N 13 117.584 117.584 115.919 1.665 18389 15555 1 18 . 1 1 13 13 PHE HA H 13 4.272 4.272 5.016 -0.744 18389 15556 1 18 . 1 1 13 13 PHE C C 13 171.960 171.960 176.163 -4.203 18389 15557 1 18 . 1 1 13 13 PHE CA C 13 58.913 58.913 56.286 2.627 18389 15558 1 18 . 1 1 13 13 PHE CB C 13 32.175 32.175 39.897 -7.722 18389 15559 1 18 . 1 1 13 13 PHE H H 13 9.327 9.327 6.656 2.671 18389 15560 1 18 . 1 1 14 14 GLU N N 14 113.122 113.122 119.588 -6.466 18389 15561 1 18 . 1 1 14 14 GLU HA H 14 5.049 5.049 3.754 1.295 18389 15562 1 18 . 1 1 14 14 GLU C C 14 175.300 175.300 177.987 -2.687 18389 15563 1 18 . 1 1 14 14 GLU CA C 14 51.981 51.981 59.341 -7.360 18389 15564 1 18 . 1 1 14 14 GLU CB C 14 24.994 24.994 28.159 -3.165 18389 15565 1 18 . 1 1 14 14 GLU H H 14 8.165 8.165 8.247 -0.082 18389 15566 1 18 . 1 1 15 15 GLY N N 15 110.108 110.108 107.766 2.342 18389 15567 1 18 . 1 1 15 15 GLY C C 15 171.609 171.609 174.743 -3.134 18389 15568 1 18 . 1 1 15 15 GLY CA C 15 41.854 41.854 46.796 -4.942 18389 15569 1 18 . 1 1 15 15 GLY H H 15 8.117 8.117 8.351 -0.234 18389 15570 1 18 . 1 1 16 16 VAL N N 16 121.792 121.792 122.244 -0.452 18389 15571 1 18 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.139 0.132 18389 15572 1 18 . 1 1 16 16 VAL C C 16 173.203 173.203 174.820 -1.617 18389 15573 1 18 . 1 1 16 16 VAL CA C 16 59.283 59.283 63.221 -3.938 18389 15574 1 18 . 1 1 16 16 VAL CB C 16 30.201 30.201 33.232 -3.031 18389 15575 1 18 . 1 1 16 16 VAL H H 16 8.190 8.190 7.935 0.255 18389 15576 1 18 . 1 1 17 17 LEU N N 17 124.682 124.682 117.723 6.959 18389 15577 1 18 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.579 0.319 18389 15578 1 18 . 1 1 17 17 LEU C C 17 174.685 174.685 176.107 -1.422 18389 15579 1 18 . 1 1 17 17 LEU CA C 17 52.798 52.798 54.254 -1.456 18389 15580 1 18 . 1 1 17 17 LEU CB C 17 39.136 39.136 43.047 -3.911 18389 15581 1 18 . 1 1 17 17 LEU H H 17 8.500 8.500 7.651 0.849 18389 15582 1 18 . 1 1 18 18 ASN N N 18 127.589 127.589 123.935 3.654 18389 15583 1 18 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.836 0.311 18389 15584 1 18 . 1 1 18 18 ASN C C 18 171.583 171.583 175.086 -3.503 18389 15585 1 18 . 1 1 18 18 ASN CA C 18 50.977 50.977 53.485 -2.508 18389 15586 1 18 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.279 -1.135 18389 15587 1 18 . 1 1 18 18 ASN H H 18 9.956 9.956 8.728 1.228 18389 15588 1 18 . 1 1 19 19 TRP N N 19 119.913 119.913 119.015 0.898 18389 15589 1 18 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.915 0.143 18389 15590 1 18 . 1 1 19 19 TRP C C 19 174.918 174.918 177.153 -2.235 18389 15591 1 18 . 1 1 19 19 TRP CA C 19 55.376 55.376 55.589 -0.213 18389 15592 1 18 . 1 1 19 19 TRP CB C 19 27.400 27.400 30.681 -3.281 18389 15593 1 18 . 1 1 19 19 TRP H H 19 7.057 7.057 7.373 -0.316 18389 15594 1 18 . 1 1 20 20 GLY N N 20 112.934 112.934 107.474 5.460 18389 15595 1 18 . 1 1 20 20 GLY C C 20 171.436 171.436 172.397 -0.961 18389 15596 1 18 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.757 -3.817 18389 15597 1 18 . 1 1 20 20 GLY H H 20 9.622 9.622 8.869 0.753 18389 15598 1 18 . 1 1 21 21 SER N N 21 114.752 114.752 116.006 -1.254 18389 15599 1 18 . 1 1 21 21 SER HA H 21 5.686 5.686 5.104 0.582 18389 15600 1 18 . 1 1 21 21 SER C C 21 170.314 170.314 172.979 -2.665 18389 15601 1 18 . 1 1 21 21 SER CA C 21 55.911 55.911 57.302 -1.391 18389 15602 1 18 . 1 1 21 21 SER CB C 21 64.070 64.070 66.901 -2.831 18389 15603 1 18 . 1 1 21 21 SER H H 21 8.899 8.899 7.816 1.083 18389 15604 1 18 . 1 1 22 22 TYR N N 22 118.001 118.001 121.728 -3.727 18389 15605 1 18 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.946 0.354 18389 15606 1 18 . 1 1 22 22 TYR C C 22 170.760 170.760 174.127 -3.367 18389 15607 1 18 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.063 -3.413 18389 15608 1 18 . 1 1 22 22 TYR CB C 22 37.824 37.824 42.155 -4.331 18389 15609 1 18 . 1 1 22 22 TYR H H 22 8.807 8.807 9.166 -0.359 18389 15610 1 18 . 1 1 23 23 SER N N 23 109.826 109.826 116.054 -6.228 18389 15611 1 18 . 1 1 23 23 SER HA H 23 4.912 4.912 5.367 -0.455 18389 15612 1 18 . 1 1 23 23 SER C C 23 169.918 169.918 174.345 -4.427 18389 15613 1 18 . 1 1 23 23 SER CA C 23 55.664 55.664 57.297 -1.633 18389 15614 1 18 . 1 1 23 23 SER CB C 23 62.361 62.361 65.974 -3.613 18389 15615 1 18 . 1 1 23 23 SER H H 23 8.435 8.435 8.743 -0.308 18389 15616 1 18 . 1 1 24 24 GLY N N 24 103.788 103.788 111.019 -7.231 18389 15617 1 18 . 1 1 24 24 GLY C C 24 170.240 170.240 174.169 -3.929 18389 15618 1 18 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.371 -2.604 18389 15619 1 18 . 1 1 24 24 GLY H H 24 7.339 7.339 8.678 -1.339 18389 15620 1 18 . 1 1 25 25 GLU N N 25 116.420 116.420 119.446 -3.026 18389 15621 1 18 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.489 -0.381 18389 15622 1 18 . 1 1 25 25 GLU C C 25 173.683 173.683 176.506 -2.823 18389 15623 1 18 . 1 1 25 25 GLU CA C 25 53.687 53.687 55.818 -2.131 18389 15624 1 18 . 1 1 25 25 GLU CB C 25 25.146 25.146 31.640 -6.494 18389 15625 1 18 . 1 1 25 25 GLU H H 25 8.962 8.962 7.203 1.759 18389 15626 1 18 . 1 1 26 26 GLY N N 26 106.660 106.660 113.064 -6.404 18389 15627 1 18 . 1 1 26 26 GLY C C 26 171.638 171.638 174.244 -2.606 18389 15628 1 18 . 1 1 26 26 GLY CA C 26 43.173 43.173 46.155 -2.982 18389 15629 1 18 . 1 1 26 26 GLY H H 26 8.483 8.483 8.781 -0.298 18389 15630 1 18 . 1 1 27 27 ALA N N 27 123.407 123.407 123.316 0.091 18389 15631 1 18 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.162 0.485 18389 15632 1 18 . 1 1 27 27 ALA C C 27 174.232 174.232 176.187 -1.955 18389 15633 1 18 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.598 -2.035 18389 15634 1 18 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.252 -2.714 18389 15635 1 18 . 1 1 27 27 ALA H H 27 7.182 7.182 7.909 -0.727 18389 15636 1 18 . 1 1 28 28 LYS N N 28 117.590 117.590 120.124 -2.534 18389 15637 1 18 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.447 0.445 18389 15638 1 18 . 1 1 28 28 LYS C C 28 171.365 171.365 175.338 -3.973 18389 15639 1 18 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.711 -3.292 18389 15640 1 18 . 1 1 28 28 LYS CB C 28 34.544 34.544 34.615 -0.071 18389 15641 1 18 . 1 1 28 28 LYS H H 28 8.650 8.650 8.618 0.032 18389 15642 1 18 . 1 1 29 29 VAL N N 29 118.148 118.148 126.651 -8.503 18389 15643 1 18 . 1 1 29 29 VAL HA H 29 5.241 5.241 3.737 1.504 18389 15644 1 18 . 1 1 29 29 VAL C C 29 169.809 169.809 175.140 -5.331 18389 15645 1 18 . 1 1 29 29 VAL CA C 29 57.083 57.083 62.414 -5.331 18389 15646 1 18 . 1 1 29 29 VAL CB C 29 31.475 31.475 32.561 -1.086 18389 15647 1 18 . 1 1 29 29 VAL H H 29 8.327 8.327 8.397 -0.070 18389 15648 1 18 . 1 1 30 30 SER N N 30 120.964 120.964 120.802 0.162 18389 15649 1 18 . 1 1 30 30 SER HA H 30 4.993 4.993 4.653 0.340 18389 15650 1 18 . 1 1 30 30 SER C C 30 170.354 170.354 172.156 -1.802 18389 15651 1 18 . 1 1 30 30 SER CA C 30 54.438 54.438 57.654 -3.216 18389 15652 1 18 . 1 1 30 30 SER CB C 30 63.262 63.262 66.017 -2.755 18389 15653 1 18 . 1 1 30 30 SER H H 30 8.797 8.797 7.900 0.897 18389 15654 1 18 . 1 1 31 31 THR N N 31 112.970 112.970 114.575 -1.605 18389 15655 1 18 . 1 1 31 31 THR HA H 31 5.618 5.618 5.272 0.346 18389 15656 1 18 . 1 1 31 31 THR C C 31 171.857 171.857 174.119 -2.262 18389 15657 1 18 . 1 1 31 31 THR CA C 31 56.212 56.212 60.012 -3.800 18389 15658 1 18 . 1 1 31 31 THR CB C 31 69.719 69.719 70.999 -1.280 18389 15659 1 18 . 1 1 31 31 THR H H 31 8.384 8.384 8.122 0.262 18389 15660 1 18 . 1 1 32 32 LYS N N 32 119.710 119.710 123.566 -3.856 18389 15661 1 18 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.650 0.076 18389 15662 1 18 . 1 1 32 32 LYS C C 32 171.734 171.734 174.977 -3.243 18389 15663 1 18 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.880 -1.907 18389 15664 1 18 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.701 -2.607 18389 15665 1 18 . 1 1 32 32 LYS H H 32 8.530 8.530 8.758 -0.228 18389 15666 1 18 . 1 1 33 33 ILE N N 33 124.276 124.276 122.382 1.894 18389 15667 1 18 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.806 0.168 18389 15668 1 18 . 1 1 33 33 ILE C C 33 173.578 173.578 175.873 -2.295 18389 15669 1 18 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.637 -3.198 18389 15670 1 18 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.762 -5.299 18389 15671 1 18 . 1 1 33 33 ILE H H 33 8.669 8.669 8.378 0.291 18389 15672 1 18 . 1 1 34 34 VAL N N 34 121.698 121.698 122.793 -1.095 18389 15673 1 18 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.729 0.138 18389 15674 1 18 . 1 1 34 34 VAL C C 34 172.702 172.702 174.557 -1.855 18389 15675 1 18 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.107 -2.448 18389 15676 1 18 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.601 -0.692 18389 15677 1 18 . 1 1 34 34 VAL H H 34 8.463 8.463 8.890 -0.427 18389 15678 1 18 . 1 1 35 35 SER N N 35 115.704 115.704 116.253 -0.549 18389 15679 1 18 . 1 1 35 35 SER HA H 35 4.590 4.590 4.743 -0.153 18389 15680 1 18 . 1 1 35 35 SER CA C 35 58.345 58.345 59.417 -1.072 18389 15681 1 18 . 1 1 35 35 SER CB C 35 60.619 60.619 63.629 -3.010 18389 15682 1 18 . 1 1 35 35 SER H H 35 8.271 8.271 8.467 -0.196 18389 15683 1 18 . 1 1 36 36 GLY N N 36 113.970 113.970 111.382 2.588 18389 15684 1 18 . 1 1 36 36 GLY C C 36 170.257 170.257 173.027 -2.770 18389 15685 1 18 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.169 -3.471 18389 15686 1 18 . 1 1 36 36 GLY H H 36 9.267 9.267 8.615 0.652 18389 15687 1 18 . 1 1 37 37 LYS N N 37 129.227 129.227 117.765 11.462 18389 15688 1 18 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.944 -0.589 18389 15689 1 18 . 1 1 37 37 LYS C C 37 174.912 174.912 176.569 -1.657 18389 15690 1 18 . 1 1 37 37 LYS CA C 37 55.555 55.555 56.395 -0.840 18389 15691 1 18 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.456 -3.047 18389 15692 1 18 . 1 1 37 37 LYS H H 37 8.484 8.484 7.708 0.776 18389 15693 1 18 . 1 1 38 38 THR N N 38 109.924 109.924 111.137 -1.213 18389 15694 1 18 . 1 1 38 38 THR HA H 38 4.398 4.398 4.447 -0.049 18389 15695 1 18 . 1 1 38 38 THR C C 38 171.818 171.818 174.578 -2.760 18389 15696 1 18 . 1 1 38 38 THR CA C 38 57.223 57.223 60.598 -3.375 18389 15697 1 18 . 1 1 38 38 THR CB C 38 67.805 67.805 68.670 -0.865 18389 15698 1 18 . 1 1 38 38 THR H H 38 7.549 7.549 8.141 -0.592 18389 15699 1 18 . 1 1 40 40 ASN N N 40 129.674 129.674 124.455 5.219 18389 15700 1 18 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.152 0.371 18389 15701 1 18 . 1 1 40 40 ASN C C 40 173.717 173.717 175.899 -2.182 18389 15702 1 18 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.688 -2.366 18389 15703 1 18 . 1 1 40 40 ASN CB C 40 38.188 38.188 39.405 -1.217 18389 15704 1 18 . 1 1 40 40 ASN H H 40 10.958 10.958 8.112 2.846 18389 15705 1 18 . 1 1 41 41 GLY N N 41 111.261 111.261 106.007 5.254 18389 15706 1 18 . 1 1 41 41 GLY C C 41 166.652 166.652 172.145 -5.493 18389 15707 1 18 . 1 1 41 41 GLY CA C 41 41.711 41.711 44.738 -3.027 18389 15708 1 18 . 1 1 41 41 GLY H H 41 9.674 9.674 8.817 0.857 18389 15709 1 18 . 1 1 42 42 MET N N 42 119.165 119.165 121.768 -2.603 18389 15710 1 18 . 1 1 42 42 MET HA H 42 4.849 4.849 4.783 0.066 18389 15711 1 18 . 1 1 42 42 MET C C 42 171.154 171.154 174.081 -2.927 18389 15712 1 18 . 1 1 42 42 MET CA C 42 51.503 51.503 54.677 -3.174 18389 15713 1 18 . 1 1 42 42 MET CB C 42 33.293 33.293 34.749 -1.456 18389 15714 1 18 . 1 1 42 42 MET H H 42 7.550 7.550 8.402 -0.852 18389 15715 1 18 . 1 1 43 43 GLU N N 43 128.221 128.221 127.842 0.379 18389 15716 1 18 . 1 1 43 43 GLU HA H 43 4.866 4.866 4.983 -0.117 18389 15717 1 18 . 1 1 43 43 GLU C C 43 172.612 172.612 174.172 -1.560 18389 15718 1 18 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.949 -3.270 18389 15719 1 18 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.290 -2.894 18389 15720 1 18 . 1 1 43 43 GLU H H 43 9.355 9.355 8.903 0.452 18389 15721 1 18 . 1 1 44 44 VAL N N 44 131.011 131.011 125.699 5.312 18389 15722 1 18 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.853 -0.491 18389 15723 1 18 . 1 1 44 44 VAL C C 44 171.752 171.752 173.029 -1.277 18389 15724 1 18 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.797 -1.462 18389 15725 1 18 . 1 1 44 44 VAL CB C 44 28.950 28.950 36.166 -7.216 18389 15726 1 18 . 1 1 44 44 VAL H H 44 9.002 9.002 8.799 0.203 18389 15727 1 18 . 1 1 45 45 SER N N 45 120.764 120.764 121.767 -1.003 18389 15728 1 18 . 1 1 45 45 SER HA H 45 4.975 4.975 5.190 -0.215 18389 15729 1 18 . 1 1 45 45 SER C C 45 170.500 170.500 172.364 -1.864 18389 15730 1 18 . 1 1 45 45 SER CA C 45 53.547 53.547 56.146 -2.599 18389 15731 1 18 . 1 1 45 45 SER CB C 45 61.650 61.650 64.985 -3.335 18389 15732 1 18 . 1 1 45 45 SER H H 45 8.511 8.511 8.749 -0.238 18389 15733 1 18 . 1 1 46 46 TYR N N 46 123.478 123.478 124.052 -0.574 18389 15734 1 18 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.142 0.133 18389 15735 1 18 . 1 1 46 46 TYR C C 46 171.644 171.644 175.548 -3.904 18389 15736 1 18 . 1 1 46 46 TYR CA C 46 52.235 52.235 56.746 -4.511 18389 15737 1 18 . 1 1 46 46 TYR CB C 46 37.465 37.465 43.334 -5.869 18389 15738 1 18 . 1 1 46 46 TYR H H 46 8.511 8.511 9.302 -0.791 18389 15739 1 18 . 1 1 47 47 THR N N 47 118.641 118.641 120.733 -2.092 18389 15740 1 18 . 1 1 47 47 THR HA H 47 4.793 4.793 4.272 0.521 18389 15741 1 18 . 1 1 47 47 THR C C 47 171.614 171.614 173.876 -2.262 18389 15742 1 18 . 1 1 47 47 THR CA C 47 58.267 58.267 63.052 -4.785 18389 15743 1 18 . 1 1 47 47 THR CB C 47 68.820 68.820 69.083 -0.263 18389 15744 1 18 . 1 1 47 47 THR H H 47 8.935 8.935 8.201 0.734 18389 15745 1 18 . 1 1 48 48 GLY N N 48 112.467 112.467 112.597 -0.130 18389 15746 1 18 . 1 1 48 48 GLY C C 48 170.521 170.521 171.829 -1.308 18389 15747 1 18 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.059 -0.983 18389 15748 1 18 . 1 1 48 48 GLY H H 48 7.723 7.723 8.226 -0.503 18389 15749 1 18 . 1 1 49 49 THR N N 49 106.823 106.823 114.260 -7.437 18389 15750 1 18 . 1 1 49 49 THR HA H 49 4.913 4.913 4.408 0.505 18389 15751 1 18 . 1 1 49 49 THR C C 49 172.529 172.529 175.114 -2.585 18389 15752 1 18 . 1 1 49 49 THR CA C 49 57.385 57.385 59.055 -1.670 18389 15753 1 18 . 1 1 49 49 THR CB C 49 69.609 69.609 70.199 -0.590 18389 15754 1 18 . 1 1 49 49 THR H H 49 8.019 8.019 6.563 1.456 18389 15755 1 18 . 1 1 51 51 ASP N N 51 118.095 118.095 122.485 -4.390 18389 15756 1 18 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.923 0.081 18389 15757 1 18 . 1 1 51 51 ASP C C 51 172.913 172.913 175.438 -2.525 18389 15758 1 18 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.150 -1.905 18389 15759 1 18 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.932 -3.162 18389 15760 1 18 . 1 1 51 51 ASP H H 51 8.613 8.613 8.324 0.289 18389 15761 1 18 . 1 1 52 52 GLY N N 52 107.075 107.075 108.419 -1.344 18389 15762 1 18 . 1 1 52 52 GLY C C 52 169.748 169.748 172.434 -2.686 18389 15763 1 18 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.000 -2.094 18389 15764 1 18 . 1 1 52 52 GLY H H 52 7.651 7.651 7.901 -0.250 18389 15765 1 18 . 1 1 53 53 TYR N N 53 112.556 112.556 114.101 -1.545 18389 15766 1 18 . 1 1 53 53 TYR HA H 53 3.621 3.621 3.810 -0.189 18389 15767 1 18 . 1 1 53 53 TYR C C 53 169.219 169.219 172.780 -3.561 18389 15768 1 18 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.551 -4.445 18389 15769 1 18 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.018 -0.988 18389 15770 1 18 . 1 1 53 53 TYR H H 53 6.918 6.918 7.586 -0.668 18389 15771 1 18 . 1 1 54 54 TRP N N 54 112.748 112.748 118.741 -5.993 18389 15772 1 18 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.502 -0.123 18389 15773 1 18 . 1 1 54 54 TRP C C 54 171.085 171.085 174.901 -3.816 18389 15774 1 18 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.626 -3.366 18389 15775 1 18 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.463 -2.488 18389 15776 1 18 . 1 1 54 54 TRP H H 54 6.406 6.406 7.798 -1.392 18389 15777 1 18 . 1 1 55 55 GLY N N 55 108.552 108.552 107.193 1.359 18389 15778 1 18 . 1 1 55 55 GLY C C 55 168.023 168.023 172.086 -4.063 18389 15779 1 18 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.535 -2.087 18389 15780 1 18 . 1 1 55 55 GLY H H 55 8.689 8.689 8.918 -0.229 18389 15781 1 18 . 1 1 56 56 THR N N 56 113.376 113.376 115.607 -2.231 18389 15782 1 18 . 1 1 56 56 THR HA H 56 5.868 5.868 4.715 1.153 18389 15783 1 18 . 1 1 56 56 THR C C 56 170.376 170.376 173.261 -2.885 18389 15784 1 18 . 1 1 56 56 THR CA C 56 57.238 57.238 61.916 -4.678 18389 15785 1 18 . 1 1 56 56 THR CB C 56 69.053 69.053 70.109 -1.056 18389 15786 1 18 . 1 1 56 56 THR H H 56 9.518 9.518 8.707 0.811 18389 15787 1 18 . 1 1 57 57 VAL N N 57 123.361 123.361 128.423 -5.062 18389 15788 1 18 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.762 0.691 18389 15789 1 18 . 1 1 57 57 VAL C C 57 169.082 169.082 173.728 -4.646 18389 15790 1 18 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.044 -4.995 18389 15791 1 18 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.785 -2.438 18389 15792 1 18 . 1 1 57 57 VAL H H 57 8.956 8.956 8.517 0.439 18389 15793 1 18 . 1 1 58 58 TYR N N 58 131.224 131.224 128.109 3.115 18389 15794 1 18 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.497 0.079 18389 15795 1 18 . 1 1 58 58 TYR C C 58 172.050 172.050 173.380 -1.330 18389 15796 1 18 . 1 1 58 58 TYR CA C 58 51.582 51.582 55.978 -4.396 18389 15797 1 18 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.035 -6.074 18389 15798 1 18 . 1 1 58 58 TYR H H 58 8.641 8.641 8.549 0.092 18389 15799 1 18 . 1 1 59 59 SER N N 59 123.126 123.126 121.422 1.704 18389 15800 1 18 . 1 1 59 59 SER HA H 59 4.304 4.304 4.640 -0.336 18389 15801 1 18 . 1 1 59 59 SER C C 59 170.891 170.891 173.703 -2.812 18389 15802 1 18 . 1 1 59 59 SER CA C 59 55.452 55.452 56.774 -1.322 18389 15803 1 18 . 1 1 59 59 SER CB C 59 60.048 60.048 63.774 -3.726 18389 15804 1 18 . 1 1 59 59 SER H H 59 8.217 8.217 8.263 -0.046 18389 15805 1 18 . 1 1 60 60 LEU N N 60 126.809 126.809 129.687 -2.878 18389 15806 1 18 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.924 -0.671 18389 15807 1 18 . 1 1 60 60 LEU C C 60 173.994 173.994 175.918 -1.924 18389 15808 1 18 . 1 1 60 60 LEU CA C 60 50.050 50.050 52.451 -2.401 18389 15809 1 18 . 1 1 60 60 LEU CB C 60 39.357 39.357 42.599 -3.242 18389 15810 1 18 . 1 1 60 60 LEU H H 60 7.838 7.838 8.161 -0.323 18389 15811 1 18 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.335 0.238 18389 15812 1 18 . 1 1 61 61 PRO C C 61 173.514 173.514 176.989 -3.475 18389 15813 1 18 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.317 -3.065 18389 15814 1 18 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.175 -2.860 18389 15815 1 18 . 1 1 62 62 ASP N N 62 115.943 115.943 117.534 -1.591 18389 15816 1 18 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.740 0.099 18389 15817 1 18 . 1 1 62 62 ASP C C 62 172.949 172.949 177.049 -4.100 18389 15818 1 18 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.614 -2.909 18389 15819 1 18 . 1 1 62 62 ASP CB C 62 40.031 40.031 40.791 -0.760 18389 15820 1 18 . 1 1 62 62 ASP H H 62 7.018 7.018 8.013 -0.995 18389 15821 1 18 . 1 1 63 63 GLY N N 63 112.680 112.680 110.537 2.143 18389 15822 1 18 . 1 1 63 63 GLY C C 63 170.273 170.273 172.909 -2.636 18389 15823 1 18 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.732 -1.731 18389 15824 1 18 . 1 1 63 63 GLY H H 63 8.417 8.417 8.700 -0.283 18389 15825 1 18 . 1 1 64 64 ASP N N 64 115.221 115.221 118.725 -3.504 18389 15826 1 18 . 1 1 64 64 ASP HA H 64 5.293 5.293 5.031 0.262 18389 15827 1 18 . 1 1 64 64 ASP C C 64 174.354 174.354 175.488 -1.134 18389 15828 1 18 . 1 1 64 64 ASP CA C 64 50.267 50.267 51.827 -1.560 18389 15829 1 18 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.259 -3.919 18389 15830 1 18 . 1 1 64 64 ASP H H 64 7.766 7.766 7.892 -0.126 18389 15831 1 18 . 1 1 65 65 TRP N N 65 130.747 130.747 123.880 6.867 18389 15832 1 18 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.173 0.258 18389 15833 1 18 . 1 1 65 65 TRP C C 65 173.930 173.930 177.929 -3.999 18389 15834 1 18 . 1 1 65 65 TRP CA C 65 52.044 52.044 55.235 -3.191 18389 15835 1 18 . 1 1 65 65 TRP CB C 65 26.607 26.607 30.079 -3.472 18389 15836 1 18 . 1 1 65 65 TRP H H 65 9.687 9.687 8.868 0.819 18389 15837 1 18 . 1 1 66 66 SER N N 66 114.151 114.151 117.241 -3.090 18389 15838 1 18 . 1 1 66 66 SER HA H 66 4.041 4.041 4.144 -0.103 18389 15839 1 18 . 1 1 66 66 SER CA C 66 59.812 59.812 60.906 -1.094 18389 15840 1 18 . 1 1 66 66 SER CB C 66 60.892 60.892 62.401 -1.509 18389 15841 1 18 . 1 1 66 66 SER H H 66 8.568 8.568 8.106 0.462 18389 15842 1 18 . 1 1 70 70 LYS N N 70 117.090 117.090 116.583 0.507 18389 15843 1 18 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.760 -0.362 18389 15844 1 18 . 1 1 70 70 LYS C C 70 170.030 170.030 174.387 -4.357 18389 15845 1 18 . 1 1 70 70 LYS CA C 70 50.859 50.859 55.162 -4.303 18389 15846 1 18 . 1 1 70 70 LYS CB C 70 34.956 34.956 37.055 -2.099 18389 15847 1 18 . 1 1 70 70 LYS H H 70 8.308 8.308 7.789 0.519 18389 15848 1 18 . 1 1 71 71 ILE N N 71 118.764 118.764 119.647 -0.883 18389 15849 1 18 . 1 1 71 71 ILE HA H 71 5.214 5.214 5.013 0.201 18389 15850 1 18 . 1 1 71 71 ILE C C 71 169.396 169.396 174.361 -4.965 18389 15851 1 18 . 1 1 71 71 ILE CA C 71 55.333 55.333 58.809 -3.476 18389 15852 1 18 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.749 -2.103 18389 15853 1 18 . 1 1 71 71 ILE H H 71 7.816 7.816 8.861 -1.045 18389 15854 1 18 . 1 1 72 72 SER N N 72 120.952 120.952 117.597 3.355 18389 15855 1 18 . 1 1 72 72 SER HA H 72 5.852 5.852 5.517 0.335 18389 15856 1 18 . 1 1 72 72 SER C C 72 170.208 170.208 173.428 -3.220 18389 15857 1 18 . 1 1 72 72 SER CA C 72 52.457 52.457 56.654 -4.197 18389 15858 1 18 . 1 1 72 72 SER CB C 72 64.125 64.125 66.439 -2.314 18389 15859 1 18 . 1 1 72 72 SER H H 72 9.237 9.237 8.590 0.647 18389 15860 1 18 . 1 1 73 73 PHE N N 73 117.161 117.161 117.421 -0.260 18389 15861 1 18 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.358 0.013 18389 15862 1 18 . 1 1 73 73 PHE C C 73 170.381 170.381 173.612 -3.231 18389 15863 1 18 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.703 -1.906 18389 15864 1 18 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.839 -3.267 18389 15865 1 18 . 1 1 73 73 PHE H H 73 8.093 8.093 8.179 -0.086 18389 15866 1 18 . 1 1 74 74 ASP N N 74 120.210 120.210 120.459 -0.249 18389 15867 1 18 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.691 0.463 18389 15868 1 18 . 1 1 74 74 ASP C C 74 173.653 173.653 175.391 -1.738 18389 15869 1 18 . 1 1 74 74 ASP CA C 74 50.896 50.896 54.224 -3.328 18389 15870 1 18 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.969 -2.482 18389 15871 1 18 . 1 1 74 74 ASP H H 74 8.993 8.993 8.539 0.454 18389 15872 1 18 . 1 1 75 75 ILE N N 75 121.051 121.051 122.223 -1.172 18389 15873 1 18 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.540 0.713 18389 15874 1 18 . 1 1 75 75 ILE C C 75 171.229 171.229 172.950 -1.721 18389 15875 1 18 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.333 -1.812 18389 15876 1 18 . 1 1 75 75 ILE CB C 75 41.521 41.521 42.747 -1.226 18389 15877 1 18 . 1 1 75 75 ILE H H 75 9.681 9.681 9.041 0.640 18389 15878 1 18 . 1 1 76 76 LYS N N 76 124.693 124.693 123.386 1.307 18389 15879 1 18 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.962 -0.131 18389 15880 1 18 . 1 1 76 76 LYS C C 76 172.283 172.283 174.391 -2.108 18389 15881 1 18 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.027 -0.625 18389 15882 1 18 . 1 1 76 76 LYS CB C 76 32.722 32.722 35.895 -3.173 18389 15883 1 18 . 1 1 76 76 LYS H H 76 8.454 8.454 8.402 0.052 18389 15884 1 18 . 1 1 77 77 SER N N 77 118.916 118.916 115.013 3.903 18389 15885 1 18 . 1 1 77 77 SER HA H 77 4.816 4.816 4.757 0.059 18389 15886 1 18 . 1 1 77 77 SER C C 77 172.741 172.741 174.771 -2.030 18389 15887 1 18 . 1 1 77 77 SER CA C 77 55.341 55.341 58.320 -2.979 18389 15888 1 18 . 1 1 77 77 SER CB C 77 61.792 61.792 63.962 -2.170 18389 15889 1 18 . 1 1 77 77 SER H H 77 9.236 9.236 8.546 0.690 18389 15890 1 18 . 1 1 78 78 VAL N N 78 120.723 120.723 125.409 -4.686 18389 15891 1 18 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.316 0.018 18389 15892 1 18 . 1 1 78 78 VAL C C 78 172.941 172.941 173.895 -0.954 18389 15893 1 18 . 1 1 78 78 VAL CA C 78 59.795 59.795 60.702 -0.907 18389 15894 1 18 . 1 1 78 78 VAL CB C 78 30.268 30.268 34.051 -3.783 18389 15895 1 18 . 1 1 78 78 VAL H H 78 8.132 8.132 8.737 -0.605 18389 15896 1 18 . 1 1 79 79 ASP N N 79 119.240 119.240 118.096 1.144 18389 15897 1 18 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.725 0.016 18389 15898 1 18 . 1 1 79 79 ASP C C 79 174.199 174.199 174.341 -0.142 18389 15899 1 18 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.394 -3.282 18389 15900 1 18 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.984 -3.911 18389 15901 1 18 . 1 1 79 79 ASP H H 79 8.190 8.190 7.587 0.603 18389 15902 1 18 . 1 1 80 80 GLY N N 80 108.323 108.323 113.636 -5.313 18389 15903 1 18 . 1 1 80 80 GLY C C 80 171.858 171.858 174.328 -2.470 18389 15904 1 18 . 1 1 80 80 GLY CA C 80 43.103 43.103 44.785 -1.682 18389 15905 1 18 . 1 1 80 80 GLY H H 80 8.275 8.275 8.455 -0.180 18389 15906 1 18 . 1 1 81 81 SER N N 81 116.291 116.291 120.237 -3.946 18389 15907 1 18 . 1 1 81 81 SER HA H 81 4.588 4.588 4.280 0.308 18389 15908 1 18 . 1 1 81 81 SER C C 81 171.588 171.588 174.631 -3.043 18389 15909 1 18 . 1 1 81 81 SER CA C 81 55.552 55.552 59.658 -4.106 18389 15910 1 18 . 1 1 81 81 SER CB C 81 61.910 61.910 63.867 -1.957 18389 15911 1 18 . 1 1 81 81 SER H H 81 8.201 8.201 8.486 -0.285 18389 15912 1 18 . 1 1 82 82 ALA N N 82 128.019 128.019 127.661 0.358 18389 15913 1 18 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.656 0.306 18389 15914 1 18 . 1 1 82 82 ALA C C 82 173.332 173.332 175.777 -2.445 18389 15915 1 18 . 1 1 82 82 ALA CA C 82 49.079 49.079 50.532 -1.453 18389 15916 1 18 . 1 1 82 82 ALA CB C 82 16.570 16.570 18.816 -2.246 18389 15917 1 18 . 1 1 82 82 ALA H H 82 8.613 8.613 8.383 0.230 18389 15918 1 18 . 1 1 83 83 ASN N N 83 119.651 119.651 122.314 -2.663 18389 15919 1 18 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.447 0.615 18389 15920 1 18 . 1 1 83 83 ASN C C 83 170.848 170.848 175.186 -4.338 18389 15921 1 18 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.967 -2.207 18389 15922 1 18 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.134 -0.345 18389 15923 1 18 . 1 1 83 83 ASN H H 83 8.153 8.153 8.265 -0.112 18389 15924 1 18 . 1 1 84 84 GLU N N 84 127.150 127.150 120.575 6.575 18389 15925 1 18 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.145 0.567 18389 15926 1 18 . 1 1 84 84 GLU C C 84 171.647 171.647 177.086 -5.439 18389 15927 1 18 . 1 1 84 84 GLU CA C 84 54.772 54.772 57.556 -2.784 18389 15928 1 18 . 1 1 84 84 GLU CB C 84 28.701 28.701 29.438 -0.737 18389 15929 1 18 . 1 1 84 84 GLU H H 84 8.122 8.122 8.486 -0.364 18389 15930 1 18 . 1 1 85 85 ILE N N 85 117.590 117.590 121.413 -3.823 18389 15931 1 18 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.558 0.075 18389 15932 1 18 . 1 1 85 85 ILE C C 85 171.902 171.902 174.503 -2.601 18389 15933 1 18 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.807 -1.776 18389 15934 1 18 . 1 1 85 85 ILE CB C 85 40.252 40.252 40.157 0.095 18389 15935 1 18 . 1 1 85 85 ILE H H 85 8.910 8.910 8.844 0.066 18389 15936 1 18 . 1 1 86 86 ARG N N 86 116.697 116.697 118.955 -2.258 18389 15937 1 18 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.297 0.099 18389 15938 1 18 . 1 1 86 86 ARG C C 86 171.787 171.787 175.444 -3.657 18389 15939 1 18 . 1 1 86 86 ARG CA C 86 53.115 53.115 53.981 -0.866 18389 15940 1 18 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.037 -0.975 18389 15941 1 18 . 1 1 86 86 ARG H H 86 9.149 9.149 7.987 1.162 18389 15942 1 18 . 1 1 87 87 PHE N N 87 123.607 123.607 120.869 2.738 18389 15943 1 18 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.242 0.246 18389 15944 1 18 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.611 -2.793 18389 15945 1 18 . 1 1 87 87 PHE CB C 87 40.112 40.112 43.996 -3.884 18389 15946 1 18 . 1 1 87 87 PHE H H 87 9.235 9.235 9.143 0.092 18389 15947 1 18 . 1 1 88 88 MET N N 88 129.893 129.893 121.272 8.621 18389 15948 1 18 . 1 1 88 88 MET HA H 88 5.836 5.836 5.658 0.178 18389 15949 1 18 . 1 1 88 88 MET C C 88 170.768 170.768 174.119 -3.351 18389 15950 1 18 . 1 1 88 88 MET CA C 88 51.118 51.118 54.842 -3.724 18389 15951 1 18 . 1 1 88 88 MET CB C 88 37.224 37.224 37.455 -0.231 18389 15952 1 18 . 1 1 88 88 MET H H 88 8.868 8.868 9.051 -0.183 18389 15953 1 18 . 1 1 89 89 ILE N N 89 124.630 124.630 123.322 1.308 18389 15954 1 18 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.044 -0.506 18389 15955 1 18 . 1 1 89 89 ILE C C 89 171.047 171.047 174.108 -3.061 18389 15956 1 18 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.752 -1.780 18389 15957 1 18 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.154 -3.234 18389 15958 1 18 . 1 1 89 89 ILE H H 89 9.258 9.258 9.319 -0.061 18389 15959 1 18 . 1 1 90 90 ALA N N 90 128.743 128.743 128.518 0.225 18389 15960 1 18 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.132 0.534 18389 15961 1 18 . 1 1 90 90 ALA C C 90 176.041 176.041 175.701 0.340 18389 15962 1 18 . 1 1 90 90 ALA CA C 90 46.821 46.821 50.168 -3.347 18389 15963 1 18 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.790 -3.459 18389 15964 1 18 . 1 1 90 90 ALA H H 90 8.749 8.749 9.180 -0.431 18389 15965 1 18 . 1 1 91 91 GLU N N 91 121.616 121.616 123.654 -2.038 18389 15966 1 18 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.777 -0.059 18389 15967 1 18 . 1 1 91 91 GLU C C 91 174.217 174.217 176.047 -1.830 18389 15968 1 18 . 1 1 91 91 GLU CA C 91 53.143 53.143 54.674 -1.531 18389 15969 1 18 . 1 1 91 91 GLU CB C 91 29.847 29.847 33.278 -3.431 18389 15970 1 18 . 1 1 91 91 GLU H H 91 8.749 8.749 8.673 0.076 18389 15971 1 18 . 1 1 92 92 LYS N N 92 117.975 117.975 119.578 -1.603 18389 15972 1 18 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.406 -0.037 18389 15973 1 18 . 1 1 92 92 LYS C C 92 174.743 174.743 176.098 -1.355 18389 15974 1 18 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.345 -1.985 18389 15975 1 18 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.545 -2.889 18389 15976 1 18 . 1 1 92 92 LYS H H 92 8.014 8.014 8.370 -0.356 18389 15977 1 18 . 1 1 93 93 SER N N 93 115.092 115.092 114.502 0.590 18389 15978 1 18 . 1 1 93 93 SER HA H 93 4.215 4.215 4.844 -0.629 18389 15979 1 18 . 1 1 93 93 SER C C 93 174.964 174.964 175.625 -0.661 18389 15980 1 18 . 1 1 93 93 SER CA C 93 53.874 53.874 55.605 -1.731 18389 15981 1 18 . 1 1 93 93 SER CB C 93 61.736 61.736 64.382 -2.646 18389 15982 1 18 . 1 1 93 93 SER H H 93 8.083 8.083 8.225 -0.142 18389 15983 1 18 . 1 1 94 94 ILE N N 94 121.880 121.880 119.721 2.159 18389 15984 1 18 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.167 0.219 18389 15985 1 18 . 1 1 94 94 ILE C C 94 174.020 174.020 176.444 -2.424 18389 15986 1 18 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.278 -1.933 18389 15987 1 18 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.036 -2.035 18389 15988 1 18 . 1 1 94 94 ILE H H 94 9.150 9.150 8.847 0.303 18389 15989 1 18 . 1 1 95 95 ASN N N 95 117.349 117.349 119.885 -2.536 18389 15990 1 18 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.802 0.253 18389 15991 1 18 . 1 1 95 95 ASN C C 95 173.659 173.659 176.057 -2.398 18389 15992 1 18 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.886 -3.499 18389 15993 1 18 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.545 -1.879 18389 15994 1 18 . 1 1 95 95 ASN H H 95 8.163 8.163 8.122 0.041 18389 15995 1 18 . 1 1 96 96 GLY N N 96 106.957 106.957 107.329 -0.372 18389 15996 1 18 . 1 1 96 96 GLY C C 96 170.704 170.704 174.065 -3.361 18389 15997 1 18 . 1 1 96 96 GLY CA C 96 43.319 43.319 46.063 -2.744 18389 15998 1 18 . 1 1 96 96 GLY H H 96 7.530 7.530 7.686 -0.156 18389 15999 1 18 . 1 1 97 97 VAL N N 97 119.393 119.393 121.643 -2.250 18389 16000 1 18 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.328 0.026 18389 16001 1 18 . 1 1 97 97 VAL C C 97 173.622 173.622 175.321 -1.699 18389 16002 1 18 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.341 -2.199 18389 16003 1 18 . 1 1 97 97 VAL CB C 97 30.771 30.771 34.261 -3.490 18389 16004 1 18 . 1 1 97 97 VAL H H 97 7.650 7.650 7.206 0.444 18389 16005 1 18 . 1 1 98 98 GLY N N 98 115.075 115.075 114.656 0.419 18389 16006 1 18 . 1 1 98 98 GLY C C 98 170.065 170.065 173.353 -3.288 18389 16007 1 18 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.291 -2.552 18389 16008 1 18 . 1 1 98 98 GLY H H 98 8.712 8.712 8.552 0.160 18389 16009 1 18 . 1 1 99 99 ASP N N 99 119.064 119.064 123.594 -4.530 18389 16010 1 18 . 1 1 99 99 ASP HA H 99 4.675 4.675 5.058 -0.383 18389 16011 1 18 . 1 1 99 99 ASP C C 99 172.502 172.502 176.735 -4.233 18389 16012 1 18 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.669 -3.088 18389 16013 1 18 . 1 1 99 99 ASP CB C 99 39.195 39.195 44.069 -4.874 18389 16014 1 18 . 1 1 99 99 ASP H H 99 8.746 8.746 8.080 0.666 18389 16015 1 18 . 1 1 100 100 GLY N N 100 109.333 109.333 110.312 -0.979 18389 16016 1 18 . 1 1 100 100 GLY C C 100 167.638 167.638 173.134 -5.496 18389 16017 1 18 . 1 1 100 100 GLY CA C 100 40.109 40.109 46.454 -6.345 18389 16018 1 18 . 1 1 100 100 GLY H H 100 8.285 8.285 8.139 0.146 18389 16019 1 18 . 1 1 101 101 GLU N N 101 120.835 120.835 123.866 -3.031 18389 16020 1 18 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.838 -0.111 18389 16021 1 18 . 1 1 101 101 GLU C C 101 173.652 173.652 174.691 -1.039 18389 16022 1 18 . 1 1 101 101 GLU CA C 101 55.449 55.449 54.844 0.605 18389 16023 1 18 . 1 1 101 101 GLU CB C 101 31.014 31.014 33.244 -2.230 18389 16024 1 18 . 1 1 101 101 GLU H H 101 8.339 8.339 8.187 0.152 18389 16025 1 18 . 1 1 102 102 HIS N N 102 126.597 126.597 124.918 1.679 18389 16026 1 18 . 1 1 102 102 HIS HA H 102 5.406 5.406 4.975 0.431 18389 16027 1 18 . 1 1 102 102 HIS C C 102 174.479 174.479 174.637 -0.158 18389 16028 1 18 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.754 -1.842 18389 16029 1 18 . 1 1 102 102 HIS CB C 102 33.756 33.756 30.765 2.991 18389 16030 1 18 . 1 1 102 102 HIS H H 102 10.029 10.029 8.878 1.151 18389 16031 1 18 . 1 1 103 103 TRP N N 103 125.616 125.616 124.294 1.322 18389 16032 1 18 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.576 -0.545 18389 16033 1 18 . 1 1 103 103 TRP C C 103 173.236 173.236 175.150 -1.914 18389 16034 1 18 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.275 -1.442 18389 16035 1 18 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.236 -3.046 18389 16036 1 18 . 1 1 103 103 TRP H H 103 9.242 9.242 8.772 0.470 18389 16037 1 18 . 1 1 104 104 VAL N N 104 114.086 114.086 114.817 -0.731 18389 16038 1 18 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.597 0.536 18389 16039 1 18 . 1 1 104 104 VAL C C 104 173.194 173.194 173.463 -0.269 18389 16040 1 18 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.462 -2.133 18389 16041 1 18 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.995 -0.551 18389 16042 1 18 . 1 1 104 104 VAL H H 104 10.273 10.273 9.425 0.848 18389 16043 1 18 . 1 1 105 105 TYR N N 105 123.278 123.278 122.501 0.777 18389 16044 1 18 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.855 -0.195 18389 16045 1 18 . 1 1 105 105 TYR C C 105 172.030 172.030 173.294 -1.264 18389 16046 1 18 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.208 -0.486 18389 16047 1 18 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.930 -0.957 18389 16048 1 18 . 1 1 105 105 TYR H H 105 9.219 9.219 8.754 0.465 18389 16049 1 18 . 1 1 106 106 SER N N 106 123.619 123.619 117.611 6.008 18389 16050 1 18 . 1 1 106 106 SER HA H 106 5.226 5.226 5.362 -0.136 18389 16051 1 18 . 1 1 106 106 SER C C 106 170.291 170.291 172.433 -2.142 18389 16052 1 18 . 1 1 106 106 SER CA C 106 56.800 56.800 56.574 0.226 18389 16053 1 18 . 1 1 106 106 SER CB C 106 61.265 61.265 65.335 -4.070 18389 16054 1 18 . 1 1 106 106 SER H H 106 7.768 7.768 7.378 0.390 18389 16055 1 18 . 1 1 107 107 ILE N N 107 120.192 120.192 118.733 1.459 18389 16056 1 18 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.438 0.321 18389 16057 1 18 . 1 1 107 107 ILE C C 107 171.471 171.471 173.432 -1.961 18389 16058 1 18 . 1 1 107 107 ILE CA C 107 57.011 57.011 58.764 -1.753 18389 16059 1 18 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.515 -1.756 18389 16060 1 18 . 1 1 107 107 ILE H H 107 8.942 8.942 8.802 0.140 18389 16061 1 18 . 1 1 108 108 THR N N 108 118.723 118.723 114.434 4.289 18389 16062 1 18 . 1 1 108 108 THR HA H 108 5.017 5.017 4.868 0.149 18389 16063 1 18 . 1 1 108 108 THR C C 108 170.359 170.359 173.354 -2.995 18389 16064 1 18 . 1 1 108 108 THR CA C 108 56.686 56.686 58.784 -2.098 18389 16065 1 18 . 1 1 108 108 THR CB C 108 67.488 67.488 69.635 -2.147 18389 16066 1 18 . 1 1 108 108 THR H H 108 8.718 8.718 8.171 0.547 18389 16067 1 18 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.565 -0.155 18389 16068 1 18 . 1 1 109 109 PRO C C 109 171.443 171.443 175.807 -4.364 18389 16069 1 18 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.385 -2.561 18389 16070 1 18 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.092 -3.114 18389 16071 1 18 . 1 1 110 110 ASP N N 110 122.785 122.785 116.510 6.275 18389 16072 1 18 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.787 0.361 18389 16073 1 18 . 1 1 110 110 ASP C C 110 174.113 174.113 176.539 -2.426 18389 16074 1 18 . 1 1 110 110 ASP CA C 110 50.056 50.056 52.864 -2.808 18389 16075 1 18 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.733 -3.044 18389 16076 1 18 . 1 1 110 110 ASP H H 110 9.061 9.061 8.110 0.951 18389 16077 1 18 . 1 1 111 111 SER N N 111 112.595 112.595 113.905 -1.310 18389 16078 1 18 . 1 1 111 111 SER HA H 111 4.432 4.432 4.667 -0.235 18389 16079 1 18 . 1 1 111 111 SER CA C 111 58.333 58.333 59.102 -0.769 18389 16080 1 18 . 1 1 111 111 SER CB C 111 61.046 61.046 63.703 -2.657 18389 16081 1 18 . 1 1 111 111 SER H H 111 8.435 8.435 8.359 0.076 18389 16082 1 18 . 1 1 112 112 SER N N 112 116.615 116.615 117.598 -0.983 18389 16083 1 18 . 1 1 112 112 SER HA H 112 4.862 4.862 4.485 0.377 18389 16084 1 18 . 1 1 112 112 SER C C 112 170.519 170.519 173.417 -2.898 18389 16085 1 18 . 1 1 112 112 SER CA C 112 54.017 54.017 57.736 -3.720 18389 16086 1 18 . 1 1 112 112 SER CB C 112 62.948 62.948 64.388 -1.440 18389 16087 1 18 . 1 1 112 112 SER H H 112 8.035 8.035 7.867 0.168 18389 16088 1 18 . 1 1 113 113 TRP N N 113 120.576 120.576 122.377 -1.801 18389 16089 1 18 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.561 -0.007 18389 16090 1 18 . 1 1 113 113 TRP C C 113 174.599 174.599 177.104 -2.505 18389 16091 1 18 . 1 1 113 113 TRP CA C 113 56.882 56.882 58.052 -1.170 18389 16092 1 18 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.893 -2.533 18389 16093 1 18 . 1 1 113 113 TRP H H 113 8.318 8.318 8.515 -0.197 18389 16094 1 18 . 1 1 114 114 LYS N N 114 123.372 123.372 125.547 -2.175 18389 16095 1 18 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.793 0.101 18389 16096 1 18 . 1 1 114 114 LYS C C 114 172.772 172.772 175.653 -2.881 18389 16097 1 18 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.190 -1.242 18389 16098 1 18 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.749 -1.500 18389 16099 1 18 . 1 1 114 114 LYS H H 114 8.782 8.782 9.239 -0.457 18389 16100 1 18 . 1 1 115 115 THR N N 115 120.929 120.929 122.383 -1.454 18389 16101 1 18 . 1 1 115 115 THR HA H 115 5.226 5.226 4.803 0.423 18389 16102 1 18 . 1 1 115 115 THR C C 115 171.778 171.778 174.421 -2.643 18389 16103 1 18 . 1 1 115 115 THR CA C 115 59.671 59.671 62.801 -3.131 18389 16104 1 18 . 1 1 115 115 THR CB C 115 66.938 66.938 69.024 -2.086 18389 16105 1 18 . 1 1 115 115 THR H H 115 8.689 8.689 8.742 -0.053 18389 16106 1 18 . 1 1 116 116 ILE N N 116 131.929 131.929 128.528 3.401 18389 16107 1 18 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.112 0.072 18389 16108 1 18 . 1 1 116 116 ILE C C 116 171.012 171.012 174.754 -3.742 18389 16109 1 18 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.126 -3.769 18389 16110 1 18 . 1 1 116 116 ILE CB C 116 34.331 34.331 36.673 -2.342 18389 16111 1 18 . 1 1 116 116 ILE H H 116 9.470 9.470 8.719 0.751 18389 16112 1 18 . 1 1 117 117 GLU N N 117 124.514 124.514 128.324 -3.810 18389 16113 1 18 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.535 0.335 18389 16114 1 18 . 1 1 117 117 GLU C C 117 173.332 173.332 175.840 -2.508 18389 16115 1 18 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.557 -4.760 18389 16116 1 18 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.975 -0.282 18389 16117 1 18 . 1 1 117 117 GLU H H 117 8.089 8.089 8.336 -0.247 18389 16118 1 18 . 1 1 118 118 ILE N N 118 125.005 125.005 124.416 0.589 18389 16119 1 18 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.590 -0.167 18389 16120 1 18 . 1 1 118 118 ILE C C 118 171.765 171.765 173.061 -1.296 18389 16121 1 18 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.142 -2.502 18389 16122 1 18 . 1 1 118 118 ILE CB C 118 37.429 37.429 41.425 -3.996 18389 16123 1 18 . 1 1 118 118 ILE H H 118 9.322 9.322 8.681 0.641 18389 16124 1 18 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.865 -0.028 18389 16125 1 18 . 1 1 119 119 PRO C C 119 176.780 176.780 178.374 -1.594 18389 16126 1 18 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.669 -2.265 18389 16127 1 18 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.376 -3.311 18389 16128 1 18 . 1 1 120 120 PHE N N 120 124.627 124.627 118.322 6.305 18389 16129 1 18 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.247 0.747 18389 16130 1 18 . 1 1 120 120 PHE C C 120 175.402 175.402 177.205 -1.803 18389 16131 1 18 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.958 -1.686 18389 16132 1 18 . 1 1 120 120 PHE CB C 120 35.245 35.245 38.138 -2.893 18389 16133 1 18 . 1 1 120 120 PHE H H 120 8.160 8.160 8.933 -0.773 18389 16134 1 18 . 1 1 121 121 SER N N 121 110.551 110.551 114.416 -3.865 18389 16135 1 18 . 1 1 121 121 SER HA H 121 4.647 4.647 3.994 0.653 18389 16136 1 18 . 1 1 121 121 SER C C 121 173.187 173.187 175.415 -2.228 18389 16137 1 18 . 1 1 121 121 SER CA C 121 57.359 57.359 60.629 -3.270 18389 16138 1 18 . 1 1 121 121 SER CB C 121 60.639 60.639 62.124 -1.485 18389 16139 1 18 . 1 1 121 121 SER H H 121 8.367 8.367 7.769 0.598 18389 16140 1 18 . 1 1 122 122 SER N N 122 117.166 117.166 115.628 1.538 18389 16141 1 18 . 1 1 122 122 SER HA H 122 4.946 4.946 4.233 0.713 18389 16142 1 18 . 1 1 122 122 SER C C 122 172.296 172.296 174.006 -1.710 18389 16143 1 18 . 1 1 122 122 SER CA C 122 57.525 57.525 58.361 -0.836 18389 16144 1 18 . 1 1 122 122 SER CB C 122 61.716 61.716 63.360 -1.644 18389 16145 1 18 . 1 1 122 122 SER H H 122 8.537 8.537 7.279 1.258 18389 16146 1 18 . 1 1 123 123 PHE N N 123 119.840 119.840 121.303 -1.463 18389 16147 1 18 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.742 -0.095 18389 16148 1 18 . 1 1 123 123 PHE C C 123 173.527 173.527 175.418 -1.891 18389 16149 1 18 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.483 -0.705 18389 16150 1 18 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.411 -1.864 18389 16151 1 18 . 1 1 123 123 PHE H H 123 7.807 7.807 7.493 0.314 18389 16152 1 18 . 1 1 124 124 ARG N N 124 120.098 120.098 121.864 -1.766 18389 16153 1 18 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.161 0.180 18389 16154 1 18 . 1 1 124 124 ARG C C 124 172.631 172.631 174.188 -1.557 18389 16155 1 18 . 1 1 124 124 ARG CA C 124 51.325 51.325 53.404 -2.079 18389 16156 1 18 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.396 -2.675 18389 16157 1 18 . 1 1 124 124 ARG H H 124 9.297 9.297 9.313 -0.016 18389 16158 1 18 . 1 1 125 125 ARG N N 125 126.739 126.739 121.989 4.750 18389 16159 1 18 . 1 1 125 125 ARG HA H 125 2.962 2.962 3.996 -1.034 18389 16160 1 18 . 1 1 125 125 ARG C C 125 174.319 174.319 175.786 -1.467 18389 16161 1 18 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.721 -0.685 18389 16162 1 18 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.573 -3.225 18389 16163 1 18 . 1 1 125 125 ARG H H 125 8.611 8.611 8.614 -0.003 18389 16164 1 18 . 1 1 126 126 ARG N N 126 126.556 126.556 127.707 -1.151 18389 16165 1 18 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.332 -0.368 18389 16166 1 18 . 1 1 126 126 ARG C C 126 174.021 174.021 175.632 -1.611 18389 16167 1 18 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.075 0.463 18389 16168 1 18 . 1 1 126 126 ARG CB C 126 29.739 29.739 29.041 0.698 18389 16169 1 18 . 1 1 126 126 ARG H H 126 7.917 7.917 8.173 -0.256 18389 16170 1 18 . 1 1 127 127 LEU N N 127 124.550 124.550 121.762 2.788 18389 16171 1 18 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.546 0.108 18389 16172 1 18 . 1 1 127 127 LEU C C 127 175.775 175.775 176.828 -1.053 18389 16173 1 18 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.271 -2.063 18389 16174 1 18 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.169 -0.791 18389 16175 1 18 . 1 1 127 127 LEU H H 127 8.817 8.817 8.075 0.742 18389 16176 1 18 . 1 1 128 128 ASP N N 128 116.209 116.209 118.004 -1.795 18389 16177 1 18 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.564 -0.015 18389 16178 1 18 . 1 1 128 128 ASP C C 128 172.491 172.491 175.925 -3.434 18389 16179 1 18 . 1 1 128 128 ASP CA C 128 52.492 52.492 54.076 -1.584 18389 16180 1 18 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.533 -4.951 18389 16181 1 18 . 1 1 128 128 ASP H H 128 9.072 9.072 8.200 0.872 18389 16182 1 18 . 1 1 129 129 TYR N N 129 119.329 119.329 121.666 -2.337 18389 16183 1 18 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.825 -0.472 18389 16184 1 18 . 1 1 129 129 TYR C C 129 169.992 169.992 173.885 -3.893 18389 16185 1 18 . 1 1 129 129 TYR CA C 129 56.345 56.345 56.927 -0.582 18389 16186 1 18 . 1 1 129 129 TYR CB C 129 38.447 38.447 38.792 -0.345 18389 16187 1 18 . 1 1 129 129 TYR H H 129 7.002 7.002 7.800 -0.798 18389 16188 1 18 . 1 1 130 130 GLN N N 130 121.469 121.469 126.927 -5.458 18389 16189 1 18 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.111 -0.202 18389 16190 1 18 . 1 1 130 130 GLN C C 130 170.223 170.223 173.451 -3.228 18389 16191 1 18 . 1 1 130 130 GLN CA C 130 49.789 49.789 51.779 -1.990 18389 16192 1 18 . 1 1 130 130 GLN CB C 130 29.625 29.625 30.853 -1.228 18389 16193 1 18 . 1 1 130 130 GLN H H 130 6.288 6.288 8.296 -2.008 18389 16194 1 18 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.376 0.034 18389 16195 1 18 . 1 1 132 132 PRO C C 132 175.720 175.720 176.790 -1.070 18389 16196 1 18 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.351 -1.278 18389 16197 1 18 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.268 -3.153 18389 16198 1 18 . 1 1 133 133 GLY N N 133 104.558 104.558 109.378 -4.820 18389 16199 1 18 . 1 1 133 133 GLY C C 133 171.229 171.229 172.907 -1.678 18389 16200 1 18 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.480 -1.965 18389 16201 1 18 . 1 1 133 133 GLY H H 133 8.298 8.298 8.238 0.060 18389 16202 1 18 . 1 1 134 134 GLN N N 134 116.684 116.684 124.560 -7.876 18389 16203 1 18 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.628 -0.261 18389 16204 1 18 . 1 1 134 134 GLN C C 134 172.815 172.815 174.274 -1.459 18389 16205 1 18 . 1 1 134 134 GLN CA C 134 53.804 53.804 53.632 0.172 18389 16206 1 18 . 1 1 134 134 GLN CB C 134 24.866 24.866 31.110 -6.244 18389 16207 1 18 . 1 1 134 134 GLN H H 134 7.273 7.273 7.835 -0.562 18389 16208 1 18 . 1 1 135 135 ASP N N 135 118.688 118.688 121.543 -2.855 18389 16209 1 18 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.653 -0.291 18389 16210 1 18 . 1 1 135 135 ASP C C 135 174.301 174.301 176.965 -2.664 18389 16211 1 18 . 1 1 135 135 ASP CA C 135 51.810 51.810 55.006 -3.196 18389 16212 1 18 . 1 1 135 135 ASP CB C 135 36.904 36.904 43.453 -6.549 18389 16213 1 18 . 1 1 135 135 ASP H H 135 8.844 8.844 8.829 0.016 18389 16214 1 18 . 1 1 136 136 MET N N 136 114.721 114.721 115.506 -0.785 18389 16215 1 18 . 1 1 136 136 MET HA H 136 4.035 4.035 4.164 -0.129 18389 16216 1 18 . 1 1 136 136 MET C C 136 174.252 174.252 175.965 -1.713 18389 16217 1 18 . 1 1 136 136 MET CA C 136 54.461 54.461 56.665 -2.204 18389 16218 1 18 . 1 1 136 136 MET CB C 136 29.439 29.439 30.019 -0.580 18389 16219 1 18 . 1 1 136 136 MET H H 136 7.585 7.585 7.650 -0.065 18389 16220 1 18 . 1 1 137 137 SER N N 137 118.130 118.130 112.372 5.758 18389 16221 1 18 . 1 1 137 137 SER HA H 137 4.392 4.392 4.341 0.051 18389 16222 1 18 . 1 1 137 137 SER C C 137 174.811 174.811 176.025 -1.214 18389 16223 1 18 . 1 1 137 137 SER CA C 137 57.841 57.841 59.489 -1.648 18389 16224 1 18 . 1 1 137 137 SER CB C 137 62.369 62.369 63.782 -1.413 18389 16225 1 18 . 1 1 137 137 SER H H 137 9.140 9.140 8.798 0.342 18389 16226 1 18 . 1 1 138 138 GLY N N 138 114.534 114.534 110.389 4.145 18389 16227 1 18 . 1 1 138 138 GLY C C 138 170.903 170.903 174.418 -3.515 18389 16228 1 18 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.748 -1.550 18389 16229 1 18 . 1 1 138 138 GLY H H 138 10.549 10.549 8.925 1.624 18389 16230 1 18 . 1 1 139 139 THR N N 139 112.564 112.564 116.588 -4.024 18389 16231 1 18 . 1 1 139 139 THR HA H 139 4.538 4.538 4.761 -0.223 18389 16232 1 18 . 1 1 139 139 THR C C 139 168.086 168.086 173.443 -5.357 18389 16233 1 18 . 1 1 139 139 THR CA C 139 57.132 57.132 61.246 -4.114 18389 16234 1 18 . 1 1 139 139 THR CB C 139 68.854 68.854 72.000 -3.146 18389 16235 1 18 . 1 1 139 139 THR H H 139 8.504 8.504 7.619 0.885 18389 16236 1 18 . 1 1 140 140 LEU N N 140 129.971 129.971 121.462 8.509 18389 16237 1 18 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.035 -0.264 18389 16238 1 18 . 1 1 140 140 LEU C C 140 172.175 172.175 176.108 -3.933 18389 16239 1 18 . 1 1 140 140 LEU CA C 140 51.335 51.335 54.076 -2.741 18389 16240 1 18 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.278 -5.406 18389 16241 1 18 . 1 1 140 140 LEU H H 140 7.900 7.900 7.789 0.111 18389 16242 1 18 . 1 1 141 141 ASP N N 141 132.200 132.200 125.481 6.719 18389 16243 1 18 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.780 -0.076 18389 16244 1 18 . 1 1 141 141 ASP C C 141 172.137 172.137 175.441 -3.304 18389 16245 1 18 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.128 -1.436 18389 16246 1 18 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.307 -2.746 18389 16247 1 18 . 1 1 141 141 ASP H H 141 9.101 9.101 8.523 0.578 18389 16248 1 18 . 1 1 142 142 LEU N N 142 122.667 122.667 123.442 -0.775 18389 16249 1 18 . 1 1 142 142 LEU HA H 142 3.740 3.740 4.057 -0.317 18389 16250 1 18 . 1 1 142 142 LEU CA C 142 53.747 53.747 55.889 -2.142 18389 16251 1 18 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.377 -1.480 18389 16252 1 18 . 1 1 142 142 LEU H H 142 7.799 7.799 8.434 -0.635 18389 16253 1 18 . 1 1 143 143 ASP N N 143 112.789 112.789 116.950 -4.161 18389 16254 1 18 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.636 0.280 18389 16255 1 18 . 1 1 143 143 ASP C C 143 173.547 173.547 175.975 -2.428 18389 16256 1 18 . 1 1 143 143 ASP CA C 143 51.101 51.101 55.236 -4.135 18389 16257 1 18 . 1 1 143 143 ASP CB C 143 37.298 37.298 41.653 -4.355 18389 16258 1 18 . 1 1 143 143 ASP H H 143 8.473 8.473 8.096 0.377 18389 16259 1 18 . 1 1 144 144 ASN N N 144 120.743 120.743 117.304 3.439 18389 16260 1 18 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.908 0.171 18389 16261 1 18 . 1 1 144 144 ASN C C 144 171.278 171.278 173.321 -2.043 18389 16262 1 18 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.841 -3.367 18389 16263 1 18 . 1 1 144 144 ASN CB C 144 38.179 38.179 40.189 -2.010 18389 16264 1 18 . 1 1 144 144 ASN H H 144 7.867 7.867 8.078 -0.211 18389 16265 1 18 . 1 1 145 145 ILE N N 145 122.844 122.844 119.637 3.207 18389 16266 1 18 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.060 -0.220 18389 16267 1 18 . 1 1 145 145 ILE C C 145 172.420 172.420 175.786 -3.366 18389 16268 1 18 . 1 1 145 145 ILE CA C 145 57.861 57.861 60.165 -2.304 18389 16269 1 18 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.079 -3.672 18389 16270 1 18 . 1 1 145 145 ILE H H 145 8.770 8.770 7.869 0.901 18389 16271 1 18 . 1 1 146 146 ASP N N 146 125.428 125.428 127.030 -1.602 18389 16272 1 18 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.639 0.014 18389 16273 1 18 . 1 1 146 146 ASP C C 146 172.931 172.931 175.751 -2.820 18389 16274 1 18 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.735 -2.383 18389 16275 1 18 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.681 0.231 18389 16276 1 18 . 1 1 146 146 ASP H H 146 9.355 9.355 8.808 0.547 18389 16277 1 18 . 1 1 147 147 SER N N 147 108.442 108.442 110.979 -2.537 18389 16278 1 18 . 1 1 147 147 SER HA H 147 5.054 5.054 5.106 -0.052 18389 16279 1 18 . 1 1 147 147 SER C C 147 169.957 169.957 172.541 -2.584 18389 16280 1 18 . 1 1 147 147 SER CA C 147 54.584 54.584 57.569 -2.985 18389 16281 1 18 . 1 1 147 147 SER CB C 147 62.518 62.518 66.148 -3.630 18389 16282 1 18 . 1 1 147 147 SER H H 147 7.927 7.927 7.741 0.186 18389 16283 1 18 . 1 1 148 148 ILE N N 148 110.150 110.150 114.159 -4.009 18389 16284 1 18 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.179 0.470 18389 16285 1 18 . 1 1 148 148 ILE C C 148 171.932 171.932 174.043 -2.111 18389 16286 1 18 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.468 -2.846 18389 16287 1 18 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.722 -3.009 18389 16288 1 18 . 1 1 148 148 ILE H H 148 8.043 8.043 8.809 -0.766 18389 16289 1 18 . 1 1 149 149 HIS N N 149 118.612 118.612 121.113 -2.501 18389 16290 1 18 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.266 1.224 18389 16291 1 18 . 1 1 149 149 HIS C C 149 174.287 174.287 173.863 0.424 18389 16292 1 18 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.998 -3.096 18389 16293 1 18 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.001 -1.042 18389 16294 1 18 . 1 1 149 149 HIS H H 149 9.331 9.331 9.131 0.200 18389 16295 1 18 . 1 1 150 150 PHE N N 150 117.037 117.037 124.013 -6.976 18389 16296 1 18 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.592 0.938 18389 16297 1 18 . 1 1 150 150 PHE C C 150 172.808 172.808 174.133 -1.325 18389 16298 1 18 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.767 -1.264 18389 16299 1 18 . 1 1 150 150 PHE CB C 150 39.280 39.280 40.483 -1.203 18389 16300 1 18 . 1 1 150 150 PHE H H 150 8.788 8.788 8.318 0.470 18389 16301 1 18 . 1 1 151 151 MET N N 151 119.781 119.781 125.070 -5.289 18389 16302 1 18 . 1 1 151 151 MET HA H 151 4.664 4.664 4.130 0.534 18389 16303 1 18 . 1 1 151 151 MET C C 151 170.282 170.282 173.620 -3.338 18389 16304 1 18 . 1 1 151 151 MET CA C 151 52.146 52.146 53.150 -1.004 18389 16305 1 18 . 1 1 151 151 MET CB C 151 34.947 34.947 35.581 -0.634 18389 16306 1 18 . 1 1 151 151 MET H H 151 9.761 9.761 7.921 1.840 18389 16307 1 18 . 1 1 152 152 TYR N N 152 117.149 117.149 120.578 -3.429 18389 16308 1 18 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.232 -0.156 18389 16309 1 18 . 1 1 152 152 TYR C C 152 171.554 171.554 174.535 -2.981 18389 16310 1 18 . 1 1 152 152 TYR CA C 152 55.345 55.345 57.874 -2.529 18389 16311 1 18 . 1 1 152 152 TYR CB C 152 36.904 36.904 38.269 -1.365 18389 16312 1 18 . 1 1 152 152 TYR H H 152 6.275 6.275 7.630 -1.355 18389 16313 1 18 . 1 1 153 153 ALA N N 153 121.523 121.523 125.586 -4.063 18389 16314 1 18 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.303 -0.140 18389 16315 1 18 . 1 1 153 153 ALA C C 153 173.777 173.777 176.143 -2.366 18389 16316 1 18 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.032 -2.846 18389 16317 1 18 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.984 -0.019 18389 16318 1 18 . 1 1 153 153 ALA H H 153 10.019 10.019 8.394 1.625 18389 16319 1 18 . 1 1 154 154 ASN N N 154 114.643 114.643 116.690 -2.047 18389 16320 1 18 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.876 0.308 18389 16321 1 18 . 1 1 154 154 ASN C C 154 173.267 173.267 174.026 -0.759 18389 16322 1 18 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.890 -2.975 18389 16323 1 18 . 1 1 154 154 ASN CB C 154 36.713 36.713 39.992 -3.279 18389 16324 1 18 . 1 1 154 154 ASN H H 154 8.141 8.141 7.894 0.247 18389 16325 1 18 . 1 1 156 156 LYS N N 156 119.099 119.099 120.889 -1.790 18389 16326 1 18 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.436 0.302 18389 16327 1 18 . 1 1 156 156 LYS C C 156 173.965 173.965 175.456 -1.491 18389 16328 1 18 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.575 -2.704 18389 16329 1 18 . 1 1 156 156 LYS CB C 156 30.426 30.426 34.163 -3.737 18389 16330 1 18 . 1 1 156 156 LYS H H 156 8.298 8.298 7.582 0.716 18389 16331 1 18 . 1 1 157 157 SER N N 157 115.584 115.584 113.815 1.769 18389 16332 1 18 . 1 1 157 157 SER HA H 157 5.055 5.055 4.675 0.380 18389 16333 1 18 . 1 1 157 157 SER C C 157 169.925 169.925 173.499 -3.574 18389 16334 1 18 . 1 1 157 157 SER CA C 157 55.617 55.617 57.507 -1.890 18389 16335 1 18 . 1 1 157 157 SER CB C 157 63.180 63.180 65.986 -2.806 18389 16336 1 18 . 1 1 157 157 SER H H 157 8.240 8.240 8.302 -0.062 18389 16337 1 18 . 1 1 158 158 GLY N N 158 108.219 108.219 110.372 -2.153 18389 16338 1 18 . 1 1 158 158 GLY C C 158 168.322 168.322 171.809 -3.487 18389 16339 1 18 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.876 -2.311 18389 16340 1 18 . 1 1 158 158 GLY H H 158 6.942 6.942 8.659 -1.717 18389 16341 1 18 . 1 1 159 159 LYS N N 159 116.608 116.608 119.438 -2.830 18389 16342 1 18 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.593 -0.072 18389 16343 1 18 . 1 1 159 159 LYS C C 159 172.966 172.966 175.221 -2.255 18389 16344 1 18 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.930 -1.789 18389 16345 1 18 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.952 -2.247 18389 16346 1 18 . 1 1 159 159 LYS H H 159 7.925 7.925 8.751 -0.826 18389 16347 1 18 . 1 1 160 160 PHE N N 160 121.804 121.804 121.118 0.686 18389 16348 1 18 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.630 -0.105 18389 16349 1 18 . 1 1 160 160 PHE C C 160 168.125 168.125 172.615 -4.490 18389 16350 1 18 . 1 1 160 160 PHE CA C 160 53.315 53.315 55.549 -2.234 18389 16351 1 18 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.252 -4.201 18389 16352 1 18 . 1 1 160 160 PHE H H 160 8.834 8.834 9.236 -0.402 18389 16353 1 18 . 1 1 161 161 VAL N N 161 119.787 119.787 120.183 -0.396 18389 16354 1 18 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.077 0.301 18389 16355 1 18 . 1 1 161 161 VAL C C 161 170.736 170.736 173.672 -2.936 18389 16356 1 18 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.759 -3.103 18389 16357 1 18 . 1 1 161 161 VAL CB C 161 31.937 31.937 36.194 -4.257 18389 16358 1 18 . 1 1 161 161 VAL H H 161 9.277 9.277 8.567 0.710 18389 16359 1 18 . 1 1 162 162 VAL N N 162 121.357 121.357 127.333 -5.976 18389 16360 1 18 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.452 0.515 18389 16361 1 18 . 1 1 162 162 VAL C C 162 170.928 170.928 174.302 -3.374 18389 16362 1 18 . 1 1 162 162 VAL CA C 162 55.686 55.686 60.486 -4.800 18389 16363 1 18 . 1 1 162 162 VAL CB C 162 33.842 33.842 36.381 -2.539 18389 16364 1 18 . 1 1 162 162 VAL H H 162 8.453 8.453 8.521 -0.068 18389 16365 1 18 . 1 1 163 163 ASP N N 163 119.088 119.088 121.262 -2.174 18389 16366 1 18 . 1 1 163 163 ASP HA H 163 5.579 5.579 4.912 0.667 18389 16367 1 18 . 1 1 163 163 ASP C C 163 172.563 172.563 174.527 -1.964 18389 16368 1 18 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.763 -3.280 18389 16369 1 18 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.745 -2.281 18389 16370 1 18 . 1 1 163 163 ASP H H 163 9.233 9.233 8.483 0.750 18389 16371 1 18 . 1 1 164 164 ASN N N 164 117.316 117.316 117.202 0.114 18389 16372 1 18 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.451 0.198 18389 16373 1 18 . 1 1 164 164 ASN C C 164 170.940 170.940 174.804 -3.864 18389 16374 1 18 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.417 -1.746 18389 16375 1 18 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.742 -2.347 18389 16376 1 18 . 1 1 164 164 ASN H H 164 9.864 9.864 8.836 1.028 18389 16377 1 18 . 1 1 165 165 ILE N N 165 118.660 118.660 120.109 -1.449 18389 16378 1 18 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.561 0.878 18389 16379 1 18 . 1 1 165 165 ILE C C 165 173.336 173.336 175.380 -2.044 18389 16380 1 18 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.379 -3.224 18389 16381 1 18 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.864 -2.677 18389 16382 1 18 . 1 1 165 165 ILE H H 165 8.716 8.716 8.224 0.492 18389 16383 1 18 . 1 1 166 166 LYS N N 166 127.896 127.896 124.760 3.136 18389 16384 1 18 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.179 -0.001 18389 16385 1 18 . 1 1 166 166 LYS C C 166 170.453 170.453 175.427 -4.974 18389 16386 1 18 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.078 -1.554 18389 16387 1 18 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.470 -1.224 18389 16388 1 18 . 1 1 166 166 LYS H H 166 9.921 9.921 9.161 0.760 18389 16389 1 18 . 1 1 167 167 LEU N N 167 120.747 120.747 122.771 -2.024 18389 16390 1 18 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.426 0.410 18389 16391 1 18 . 1 1 167 167 LEU C C 167 173.703 173.703 175.991 -2.288 18389 16392 1 18 . 1 1 167 167 LEU CA C 167 50.579 50.579 54.367 -3.788 18389 16393 1 18 . 1 1 167 167 LEU CB C 167 40.711 40.711 41.797 -1.086 18389 16394 1 18 . 1 1 167 167 LEU H H 167 8.552 8.552 8.447 0.105 18389 16395 1 18 . 1 1 168 168 ILE N N 168 116.914 116.914 120.551 -3.637 18389 16396 1 18 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.592 0.397 18389 16397 1 18 . 1 1 168 168 ILE C C 168 173.923 173.923 175.606 -1.683 18389 16398 1 18 . 1 1 168 168 ILE CA C 168 57.376 57.376 59.275 -1.899 18389 16399 1 18 . 1 1 168 168 ILE CB C 168 38.938 38.938 40.258 -1.320 18389 16400 1 18 . 1 1 168 168 ILE H H 168 8.523 8.523 8.928 -0.405 18389 16401 1 18 . 1 1 169 169 GLY N N 169 114.527 114.527 111.984 2.543 18389 16402 1 18 . 1 1 169 169 GLY C C 169 169.252 169.252 173.638 -4.386 18389 16403 1 18 . 1 1 169 169 GLY CA C 169 42.925 42.925 45.569 -2.644 18389 16404 1 18 . 1 1 169 169 GLY H H 169 8.942 8.942 9.053 -0.111 18389 16405 1 18 . 1 1 170 170 ALA N N 170 123.678 123.678 124.078 -0.400 18389 16406 1 18 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.556 -0.132 18389 16407 1 18 . 1 1 170 170 ALA C C 170 174.985 174.985 177.832 -2.847 18389 16408 1 18 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.632 -2.288 18389 16409 1 18 . 1 1 170 170 ALA CB C 170 17.087 17.087 19.872 -2.784 18389 16410 1 18 . 1 1 170 170 ALA H H 170 8.321 8.321 7.962 0.359 18389 16411 1 18 . 1 1 171 171 LEU N N 171 122.139 122.139 124.129 -1.990 18389 16412 1 18 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.553 -0.148 18389 16413 1 18 . 1 1 171 171 LEU C C 171 174.478 174.478 176.150 -1.672 18389 16414 1 18 . 1 1 171 171 LEU CA C 171 52.634 52.634 53.959 -1.325 18389 16415 1 18 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.296 -1.185 18389 16416 1 18 . 1 1 171 171 LEU H H 171 8.182 8.182 8.537 -0.355 18389 16417 1 19 . 1 1 2 2 ALA N N 2 119.048 119.048 124.423 -5.375 18389 16418 1 19 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.528 -0.244 18389 16419 1 19 . 1 1 2 2 ALA C C 2 174.144 174.144 178.003 -3.859 18389 16420 1 19 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.569 -3.186 18389 16421 1 19 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.439 0.391 18389 16422 1 19 . 1 1 2 2 ALA H H 2 9.577 9.577 8.037 1.540 18389 16423 1 19 . 1 1 3 3 SER N N 3 114.278 114.278 115.760 -1.482 18389 16424 1 19 . 1 1 3 3 SER C C 3 173.040 173.040 175.038 -1.998 18389 16425 1 19 . 1 1 3 3 SER H H 3 8.152 8.152 8.254 -0.102 18389 16426 1 19 . 1 1 6 6 GLY N N 6 112.362 112.362 115.388 -3.026 18389 16427 1 19 . 1 1 6 6 GLY C C 6 170.686 170.686 174.458 -3.772 18389 16428 1 19 . 1 1 6 6 GLY CA C 6 43.313 43.313 44.610 -1.297 18389 16429 1 19 . 1 1 6 6 GLY H H 6 8.750 8.750 8.869 -0.119 18389 16430 1 19 . 1 1 7 7 GLU N N 7 117.722 117.722 120.145 -2.423 18389 16431 1 19 . 1 1 7 7 GLU HA H 7 5.429 5.429 4.359 1.071 18389 16432 1 19 . 1 1 7 7 GLU C C 7 172.744 172.744 176.066 -3.322 18389 16433 1 19 . 1 1 7 7 GLU CA C 7 52.248 52.248 57.205 -4.957 18389 16434 1 19 . 1 1 7 7 GLU CB C 7 31.170 31.170 29.862 1.308 18389 16435 1 19 . 1 1 7 7 GLU H H 7 8.078 8.078 7.799 0.279 18389 16436 1 19 . 1 1 8 8 LYS N N 8 122.832 122.832 122.654 0.178 18389 16437 1 19 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.595 -0.056 18389 16438 1 19 . 1 1 8 8 LYS C C 8 171.963 171.963 175.323 -3.360 18389 16439 1 19 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.964 -2.399 18389 16440 1 19 . 1 1 8 8 LYS CB C 8 33.185 33.185 34.743 -1.558 18389 16441 1 19 . 1 1 8 8 LYS H H 8 8.434 8.434 8.512 -0.078 18389 16442 1 19 . 1 1 9 9 MET N N 9 128.562 128.562 122.595 5.967 18389 16443 1 19 . 1 1 9 9 MET HA H 9 4.536 4.536 4.563 -0.027 18389 16444 1 19 . 1 1 9 9 MET C C 9 172.911 172.911 175.787 -2.876 18389 16445 1 19 . 1 1 9 9 MET CA C 9 53.012 53.012 56.035 -3.023 18389 16446 1 19 . 1 1 9 9 MET CB C 9 28.376 28.376 34.184 -5.808 18389 16447 1 19 . 1 1 9 9 MET H H 9 8.984 8.984 8.697 0.287 18389 16448 1 19 . 1 1 10 10 LEU N N 10 129.881 129.881 120.976 8.905 18389 16449 1 19 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.502 0.162 18389 16450 1 19 . 1 1 10 10 LEU C C 10 174.887 174.887 176.178 -1.291 18389 16451 1 19 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.081 -1.868 18389 16452 1 19 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.289 -2.890 18389 16453 1 19 . 1 1 10 10 LEU H H 10 9.751 9.751 8.946 0.805 18389 16454 1 19 . 1 1 11 11 ASP N N 11 115.516 115.516 119.053 -3.537 18389 16455 1 19 . 1 1 11 11 ASP HA H 11 4.723 4.723 3.114 1.609 18389 16456 1 19 . 1 1 11 11 ASP C C 11 170.836 170.836 174.656 -3.820 18389 16457 1 19 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.149 0.434 18389 16458 1 19 . 1 1 11 11 ASP CB C 11 40.219 40.219 42.572 -2.353 18389 16459 1 19 . 1 1 11 11 ASP H H 11 8.110 8.110 7.602 0.508 18389 16460 1 19 . 1 1 12 12 ASP N N 12 124.144 124.144 121.928 2.216 18389 16461 1 19 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.817 0.034 18389 16462 1 19 . 1 1 12 12 ASP C C 12 175.055 175.055 174.899 0.156 18389 16463 1 19 . 1 1 12 12 ASP CA C 12 50.310 50.310 54.727 -4.417 18389 16464 1 19 . 1 1 12 12 ASP CB C 12 38.195 38.195 43.311 -5.116 18389 16465 1 19 . 1 1 12 12 ASP H H 12 8.053 8.053 8.727 -0.674 18389 16466 1 19 . 1 1 13 13 PHE N N 13 117.584 117.584 114.385 3.199 18389 16467 1 19 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.731 -0.459 18389 16468 1 19 . 1 1 13 13 PHE C C 13 171.960 171.960 175.249 -3.289 18389 16469 1 19 . 1 1 13 13 PHE CA C 13 58.913 58.913 57.924 0.989 18389 16470 1 19 . 1 1 13 13 PHE CB C 13 32.175 32.175 39.716 -7.541 18389 16471 1 19 . 1 1 13 13 PHE H H 13 9.327 9.327 8.011 1.316 18389 16472 1 19 . 1 1 14 14 GLU N N 14 113.122 113.122 120.915 -7.793 18389 16473 1 19 . 1 1 14 14 GLU HA H 14 5.049 5.049 3.183 1.866 18389 16474 1 19 . 1 1 14 14 GLU C C 14 175.300 175.300 177.486 -2.186 18389 16475 1 19 . 1 1 14 14 GLU CA C 14 51.981 51.981 56.920 -4.939 18389 16476 1 19 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.208 -4.214 18389 16477 1 19 . 1 1 14 14 GLU H H 14 8.165 8.165 8.364 -0.199 18389 16478 1 19 . 1 1 15 15 GLY N N 15 110.108 110.108 108.440 1.668 18389 16479 1 19 . 1 1 15 15 GLY C C 15 171.609 171.609 174.414 -2.805 18389 16480 1 19 . 1 1 15 15 GLY CA C 15 41.854 41.854 45.375 -3.521 18389 16481 1 19 . 1 1 15 15 GLY H H 15 8.117 8.117 8.512 -0.395 18389 16482 1 19 . 1 1 16 16 VAL N N 16 121.792 121.792 116.331 5.461 18389 16483 1 19 . 1 1 16 16 VAL HA H 16 4.271 4.271 3.642 0.629 18389 16484 1 19 . 1 1 16 16 VAL C C 16 173.203 173.203 175.317 -2.114 18389 16485 1 19 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.764 -3.481 18389 16486 1 19 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.019 -1.818 18389 16487 1 19 . 1 1 16 16 VAL H H 16 8.190 8.190 7.843 0.347 18389 16488 1 19 . 1 1 17 17 LEU N N 17 124.682 124.682 125.572 -0.890 18389 16489 1 19 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.735 0.163 18389 16490 1 19 . 1 1 17 17 LEU C C 17 174.685 174.685 175.458 -0.773 18389 16491 1 19 . 1 1 17 17 LEU CA C 17 52.798 52.798 54.865 -2.067 18389 16492 1 19 . 1 1 17 17 LEU CB C 17 39.136 39.136 43.979 -4.843 18389 16493 1 19 . 1 1 17 17 LEU H H 17 8.500 8.500 7.954 0.546 18389 16494 1 19 . 1 1 18 18 ASN N N 18 127.589 127.589 119.179 8.410 18389 16495 1 19 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.725 0.422 18389 16496 1 19 . 1 1 18 18 ASN C C 18 171.583 171.583 175.078 -3.495 18389 16497 1 19 . 1 1 18 18 ASN CA C 18 50.977 50.977 53.200 -2.223 18389 16498 1 19 . 1 1 18 18 ASN CB C 18 37.143 37.143 39.035 -1.892 18389 16499 1 19 . 1 1 18 18 ASN H H 18 9.956 9.956 8.681 1.275 18389 16500 1 19 . 1 1 19 19 TRP N N 19 119.913 119.913 120.524 -0.611 18389 16501 1 19 . 1 1 19 19 TRP HA H 19 5.058 5.058 4.923 0.135 18389 16502 1 19 . 1 1 19 19 TRP C C 19 174.918 174.918 177.329 -2.411 18389 16503 1 19 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.789 -1.413 18389 16504 1 19 . 1 1 19 19 TRP CB C 19 27.400 27.400 29.897 -2.497 18389 16505 1 19 . 1 1 19 19 TRP H H 19 7.057 7.057 7.841 -0.784 18389 16506 1 19 . 1 1 20 20 GLY N N 20 112.934 112.934 110.671 2.263 18389 16507 1 19 . 1 1 20 20 GLY C C 20 171.436 171.436 173.266 -1.830 18389 16508 1 19 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.815 -3.875 18389 16509 1 19 . 1 1 20 20 GLY H H 20 9.622 9.622 8.830 0.792 18389 16510 1 19 . 1 1 21 21 SER N N 21 114.752 114.752 115.994 -1.242 18389 16511 1 19 . 1 1 21 21 SER HA H 21 5.686 5.686 5.187 0.499 18389 16512 1 19 . 1 1 21 21 SER C C 21 170.314 170.314 173.298 -2.984 18389 16513 1 19 . 1 1 21 21 SER CA C 21 55.911 55.911 57.435 -1.524 18389 16514 1 19 . 1 1 21 21 SER CB C 21 64.070 64.070 67.175 -3.105 18389 16515 1 19 . 1 1 21 21 SER H H 21 8.899 8.899 8.255 0.644 18389 16516 1 19 . 1 1 22 22 TYR N N 22 118.001 118.001 118.982 -0.981 18389 16517 1 19 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.966 0.334 18389 16518 1 19 . 1 1 22 22 TYR C C 22 170.760 170.760 173.459 -2.699 18389 16519 1 19 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.109 -3.459 18389 16520 1 19 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.473 -2.649 18389 16521 1 19 . 1 1 22 22 TYR H H 22 8.807 8.807 8.770 0.037 18389 16522 1 19 . 1 1 23 23 SER N N 23 109.826 109.826 116.240 -6.414 18389 16523 1 19 . 1 1 23 23 SER HA H 23 4.912 4.912 5.475 -0.563 18389 16524 1 19 . 1 1 23 23 SER C C 23 169.918 169.918 173.840 -3.922 18389 16525 1 19 . 1 1 23 23 SER CA C 23 55.664 55.664 57.329 -1.665 18389 16526 1 19 . 1 1 23 23 SER CB C 23 62.361 62.361 66.491 -4.130 18389 16527 1 19 . 1 1 23 23 SER H H 23 8.435 8.435 8.661 -0.226 18389 16528 1 19 . 1 1 24 24 GLY N N 24 103.788 103.788 107.913 -4.125 18389 16529 1 19 . 1 1 24 24 GLY C C 24 170.240 170.240 173.213 -2.973 18389 16530 1 19 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.251 -2.484 18389 16531 1 19 . 1 1 24 24 GLY H H 24 7.339 7.339 8.041 -0.702 18389 16532 1 19 . 1 1 25 25 GLU N N 25 116.420 116.420 119.488 -3.068 18389 16533 1 19 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.424 -0.315 18389 16534 1 19 . 1 1 25 25 GLU C C 25 173.683 173.683 175.982 -2.299 18389 16535 1 19 . 1 1 25 25 GLU CA C 25 53.687 53.687 56.085 -2.398 18389 16536 1 19 . 1 1 25 25 GLU CB C 25 25.146 25.146 32.064 -6.918 18389 16537 1 19 . 1 1 25 25 GLU H H 25 8.962 8.962 7.295 1.667 18389 16538 1 19 . 1 1 26 26 GLY N N 26 106.660 106.660 112.419 -5.759 18389 16539 1 19 . 1 1 26 26 GLY C C 26 171.638 171.638 173.036 -1.398 18389 16540 1 19 . 1 1 26 26 GLY CA C 26 43.173 43.173 46.238 -3.065 18389 16541 1 19 . 1 1 26 26 GLY H H 26 8.483 8.483 8.703 -0.220 18389 16542 1 19 . 1 1 27 27 ALA N N 27 123.407 123.407 121.049 2.358 18389 16543 1 19 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.547 0.100 18389 16544 1 19 . 1 1 27 27 ALA C C 27 174.232 174.232 175.962 -1.730 18389 16545 1 19 . 1 1 27 27 ALA CA C 27 49.563 49.563 50.461 -0.898 18389 16546 1 19 . 1 1 27 27 ALA CB C 27 17.538 17.538 21.450 -3.912 18389 16547 1 19 . 1 1 27 27 ALA H H 27 7.182 7.182 7.429 -0.247 18389 16548 1 19 . 1 1 28 28 LYS N N 28 117.590 117.590 119.951 -2.361 18389 16549 1 19 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.530 0.362 18389 16550 1 19 . 1 1 28 28 LYS C C 28 171.365 171.365 175.260 -3.895 18389 16551 1 19 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.705 -3.286 18389 16552 1 19 . 1 1 28 28 LYS CB C 28 34.544 34.544 33.917 0.627 18389 16553 1 19 . 1 1 28 28 LYS H H 28 8.650 8.650 8.677 -0.027 18389 16554 1 19 . 1 1 29 29 VAL N N 29 118.148 118.148 124.806 -6.658 18389 16555 1 19 . 1 1 29 29 VAL HA H 29 5.241 5.241 3.697 1.544 18389 16556 1 19 . 1 1 29 29 VAL C C 29 169.809 169.809 175.228 -5.419 18389 16557 1 19 . 1 1 29 29 VAL CA C 29 57.083 57.083 62.213 -5.130 18389 16558 1 19 . 1 1 29 29 VAL CB C 29 31.475 31.475 32.769 -1.294 18389 16559 1 19 . 1 1 29 29 VAL H H 29 8.327 8.327 8.200 0.127 18389 16560 1 19 . 1 1 30 30 SER N N 30 120.964 120.964 120.774 0.190 18389 16561 1 19 . 1 1 30 30 SER HA H 30 4.993 4.993 4.781 0.212 18389 16562 1 19 . 1 1 30 30 SER C C 30 170.354 170.354 172.203 -1.849 18389 16563 1 19 . 1 1 30 30 SER CA C 30 54.438 54.438 57.487 -3.049 18389 16564 1 19 . 1 1 30 30 SER CB C 30 63.262 63.262 64.692 -1.430 18389 16565 1 19 . 1 1 30 30 SER H H 30 8.797 8.797 8.168 0.629 18389 16566 1 19 . 1 1 31 31 THR N N 31 112.970 112.970 115.720 -2.750 18389 16567 1 19 . 1 1 31 31 THR HA H 31 5.618 5.618 5.328 0.290 18389 16568 1 19 . 1 1 31 31 THR C C 31 171.857 171.857 173.305 -1.448 18389 16569 1 19 . 1 1 31 31 THR CA C 31 56.212 56.212 60.502 -4.290 18389 16570 1 19 . 1 1 31 31 THR CB C 31 69.719 69.719 71.491 -1.772 18389 16571 1 19 . 1 1 31 31 THR H H 31 8.384 8.384 8.257 0.127 18389 16572 1 19 . 1 1 32 32 LYS N N 32 119.710 119.710 123.891 -4.181 18389 16573 1 19 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.677 0.049 18389 16574 1 19 . 1 1 32 32 LYS C C 32 171.734 171.734 174.036 -2.302 18389 16575 1 19 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.235 -1.262 18389 16576 1 19 . 1 1 32 32 LYS CB C 32 34.094 34.094 34.368 -0.274 18389 16577 1 19 . 1 1 32 32 LYS H H 32 8.530 8.530 8.749 -0.219 18389 16578 1 19 . 1 1 33 33 ILE N N 33 124.276 124.276 120.960 3.316 18389 16579 1 19 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.530 0.444 18389 16580 1 19 . 1 1 33 33 ILE C C 33 173.578 173.578 176.619 -3.041 18389 16581 1 19 . 1 1 33 33 ILE CA C 33 57.439 57.439 61.652 -4.213 18389 16582 1 19 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.311 -4.848 18389 16583 1 19 . 1 1 33 33 ILE H H 33 8.669 8.669 8.433 0.236 18389 16584 1 19 . 1 1 34 34 VAL N N 34 121.698 121.698 122.143 -0.445 18389 16585 1 19 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.683 0.184 18389 16586 1 19 . 1 1 34 34 VAL C C 34 172.702 172.702 174.457 -1.755 18389 16587 1 19 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.584 -2.925 18389 16588 1 19 . 1 1 34 34 VAL CB C 34 33.909 33.909 35.356 -1.447 18389 16589 1 19 . 1 1 34 34 VAL H H 34 8.463 8.463 8.528 -0.065 18389 16590 1 19 . 1 1 35 35 SER N N 35 115.704 115.704 117.806 -2.102 18389 16591 1 19 . 1 1 35 35 SER HA H 35 4.590 4.590 4.601 -0.011 18389 16592 1 19 . 1 1 35 35 SER CA C 35 58.345 58.345 58.321 0.024 18389 16593 1 19 . 1 1 35 35 SER CB C 35 60.619 60.619 63.230 -2.611 18389 16594 1 19 . 1 1 35 35 SER H H 35 8.271 8.271 8.444 -0.173 18389 16595 1 19 . 1 1 36 36 GLY N N 36 113.970 113.970 111.498 2.472 18389 16596 1 19 . 1 1 36 36 GLY C C 36 170.257 170.257 173.622 -3.365 18389 16597 1 19 . 1 1 36 36 GLY CA C 36 40.698 40.698 43.915 -3.217 18389 16598 1 19 . 1 1 36 36 GLY H H 36 9.267 9.267 7.873 1.394 18389 16599 1 19 . 1 1 37 37 LYS N N 37 129.227 129.227 117.552 11.675 18389 16600 1 19 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.788 -0.433 18389 16601 1 19 . 1 1 37 37 LYS C C 37 174.912 174.912 177.120 -2.208 18389 16602 1 19 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.528 -1.973 18389 16603 1 19 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.555 -3.146 18389 16604 1 19 . 1 1 37 37 LYS H H 37 8.484 8.484 7.231 1.253 18389 16605 1 19 . 1 1 38 38 THR N N 38 109.924 109.924 110.857 -0.933 18389 16606 1 19 . 1 1 38 38 THR HA H 38 4.398 4.398 4.512 -0.114 18389 16607 1 19 . 1 1 38 38 THR C C 38 171.818 171.818 174.622 -2.804 18389 16608 1 19 . 1 1 38 38 THR CA C 38 57.223 57.223 60.525 -3.302 18389 16609 1 19 . 1 1 38 38 THR CB C 38 67.805 67.805 69.910 -2.105 18389 16610 1 19 . 1 1 38 38 THR H H 38 7.549 7.549 7.420 0.129 18389 16611 1 19 . 1 1 40 40 ASN N N 40 129.674 129.674 122.645 7.029 18389 16612 1 19 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.134 0.389 18389 16613 1 19 . 1 1 40 40 ASN C C 40 173.717 173.717 175.260 -1.543 18389 16614 1 19 . 1 1 40 40 ASN CA C 40 50.322 50.322 51.605 -1.284 18389 16615 1 19 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.563 -2.375 18389 16616 1 19 . 1 1 40 40 ASN H H 40 10.958 10.958 8.135 2.823 18389 16617 1 19 . 1 1 41 41 GLY N N 41 111.261 111.261 107.131 4.130 18389 16618 1 19 . 1 1 41 41 GLY C C 41 166.652 166.652 172.313 -5.661 18389 16619 1 19 . 1 1 41 41 GLY CA C 41 41.711 41.711 44.085 -2.374 18389 16620 1 19 . 1 1 41 41 GLY H H 41 9.674 9.674 8.980 0.694 18389 16621 1 19 . 1 1 42 42 MET N N 42 119.165 119.165 118.948 0.217 18389 16622 1 19 . 1 1 42 42 MET HA H 42 4.849 4.849 5.069 -0.220 18389 16623 1 19 . 1 1 42 42 MET C C 42 171.154 171.154 174.036 -2.882 18389 16624 1 19 . 1 1 42 42 MET CA C 42 51.503 51.503 54.077 -2.574 18389 16625 1 19 . 1 1 42 42 MET CB C 42 33.293 33.293 37.464 -4.171 18389 16626 1 19 . 1 1 42 42 MET H H 42 7.550 7.550 8.511 -0.961 18389 16627 1 19 . 1 1 43 43 GLU N N 43 128.221 128.221 124.757 3.464 18389 16628 1 19 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.197 -0.331 18389 16629 1 19 . 1 1 43 43 GLU C C 43 172.612 172.612 174.738 -2.126 18389 16630 1 19 . 1 1 43 43 GLU CA C 43 51.679 51.679 55.066 -3.387 18389 16631 1 19 . 1 1 43 43 GLU CB C 43 30.396 30.396 32.491 -2.095 18389 16632 1 19 . 1 1 43 43 GLU H H 43 9.355 9.355 9.061 0.294 18389 16633 1 19 . 1 1 44 44 VAL N N 44 131.011 131.011 125.329 5.682 18389 16634 1 19 . 1 1 44 44 VAL HA H 44 4.362 4.362 5.009 -0.647 18389 16635 1 19 . 1 1 44 44 VAL C C 44 171.752 171.752 173.486 -1.734 18389 16636 1 19 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.489 -1.154 18389 16637 1 19 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.557 -6.607 18389 16638 1 19 . 1 1 44 44 VAL H H 44 9.002 9.002 8.753 0.249 18389 16639 1 19 . 1 1 45 45 SER N N 45 120.764 120.764 123.409 -2.645 18389 16640 1 19 . 1 1 45 45 SER HA H 45 4.975 4.975 5.125 -0.150 18389 16641 1 19 . 1 1 45 45 SER C C 45 170.500 170.500 172.344 -1.844 18389 16642 1 19 . 1 1 45 45 SER CA C 45 53.547 53.547 56.280 -2.733 18389 16643 1 19 . 1 1 45 45 SER CB C 45 61.650 61.650 64.921 -3.272 18389 16644 1 19 . 1 1 45 45 SER H H 45 8.511 8.511 8.842 -0.331 18389 16645 1 19 . 1 1 46 46 TYR N N 46 123.478 123.478 124.071 -0.593 18389 16646 1 19 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.182 0.093 18389 16647 1 19 . 1 1 46 46 TYR C C 46 171.644 171.644 175.394 -3.750 18389 16648 1 19 . 1 1 46 46 TYR CA C 46 52.235 52.235 56.981 -4.746 18389 16649 1 19 . 1 1 46 46 TYR CB C 46 37.465 37.465 43.728 -6.263 18389 16650 1 19 . 1 1 46 46 TYR H H 46 8.511 8.511 9.293 -0.782 18389 16651 1 19 . 1 1 47 47 THR N N 47 118.641 118.641 121.037 -2.396 18389 16652 1 19 . 1 1 47 47 THR HA H 47 4.793 4.793 4.492 0.301 18389 16653 1 19 . 1 1 47 47 THR C C 47 171.614 171.614 174.115 -2.501 18389 16654 1 19 . 1 1 47 47 THR CA C 47 58.267 58.267 62.363 -4.096 18389 16655 1 19 . 1 1 47 47 THR CB C 47 68.820 68.820 69.656 -0.836 18389 16656 1 19 . 1 1 47 47 THR H H 47 8.935 8.935 8.312 0.623 18389 16657 1 19 . 1 1 48 48 GLY N N 48 112.467 112.467 112.707 -0.240 18389 16658 1 19 . 1 1 48 48 GLY C C 48 170.521 170.521 172.395 -1.874 18389 16659 1 19 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.134 -1.058 18389 16660 1 19 . 1 1 48 48 GLY H H 48 7.723 7.723 8.216 -0.493 18389 16661 1 19 . 1 1 49 49 THR N N 49 106.823 106.823 111.356 -4.533 18389 16662 1 19 . 1 1 49 49 THR HA H 49 4.913 4.913 4.519 0.394 18389 16663 1 19 . 1 1 49 49 THR C C 49 172.529 172.529 175.390 -2.861 18389 16664 1 19 . 1 1 49 49 THR CA C 49 57.385 57.385 58.401 -1.016 18389 16665 1 19 . 1 1 49 49 THR CB C 49 69.609 69.609 70.552 -0.943 18389 16666 1 19 . 1 1 49 49 THR H H 49 8.019 8.019 6.358 1.661 18389 16667 1 19 . 1 1 51 51 ASP N N 51 118.095 118.095 120.023 -1.928 18389 16668 1 19 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.866 0.138 18389 16669 1 19 . 1 1 51 51 ASP C C 51 172.913 172.913 176.496 -3.583 18389 16670 1 19 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.015 -1.770 18389 16671 1 19 . 1 1 51 51 ASP CB C 51 38.770 38.770 43.105 -4.335 18389 16672 1 19 . 1 1 51 51 ASP H H 51 8.613 8.613 8.214 0.399 18389 16673 1 19 . 1 1 52 52 GLY N N 52 107.075 107.075 109.177 -2.102 18389 16674 1 19 . 1 1 52 52 GLY C C 52 169.748 169.748 172.834 -3.086 18389 16675 1 19 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.191 -2.285 18389 16676 1 19 . 1 1 52 52 GLY H H 52 7.651 7.651 8.251 -0.600 18389 16677 1 19 . 1 1 53 53 TYR N N 53 112.556 112.556 114.389 -1.833 18389 16678 1 19 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.135 -0.514 18389 16679 1 19 . 1 1 53 53 TYR C C 53 169.219 169.219 173.027 -3.808 18389 16680 1 19 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.327 -4.221 18389 16681 1 19 . 1 1 53 53 TYR CB C 53 39.030 39.030 39.535 -0.505 18389 16682 1 19 . 1 1 53 53 TYR H H 53 6.918 6.918 8.033 -1.115 18389 16683 1 19 . 1 1 54 54 TRP N N 54 112.748 112.748 119.269 -6.521 18389 16684 1 19 . 1 1 54 54 TRP HA H 54 5.379 5.379 6.050 -0.671 18389 16685 1 19 . 1 1 54 54 TRP C C 54 171.085 171.085 175.225 -4.140 18389 16686 1 19 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.462 -3.202 18389 16687 1 19 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.719 -2.744 18389 16688 1 19 . 1 1 54 54 TRP H H 54 6.406 6.406 8.026 -1.620 18389 16689 1 19 . 1 1 55 55 GLY N N 55 108.552 108.552 107.450 1.102 18389 16690 1 19 . 1 1 55 55 GLY C C 55 168.023 168.023 171.703 -3.680 18389 16691 1 19 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.926 -2.478 18389 16692 1 19 . 1 1 55 55 GLY H H 55 8.689 8.689 9.010 -0.321 18389 16693 1 19 . 1 1 56 56 THR N N 56 113.376 113.376 114.840 -1.464 18389 16694 1 19 . 1 1 56 56 THR HA H 56 5.868 5.868 4.691 1.177 18389 16695 1 19 . 1 1 56 56 THR C C 56 170.376 170.376 172.805 -2.429 18389 16696 1 19 . 1 1 56 56 THR CA C 56 57.238 57.238 62.226 -4.988 18389 16697 1 19 . 1 1 56 56 THR CB C 56 69.053 69.053 72.243 -3.190 18389 16698 1 19 . 1 1 56 56 THR H H 56 9.518 9.518 7.974 1.544 18389 16699 1 19 . 1 1 57 57 VAL N N 57 123.361 123.361 122.656 0.705 18389 16700 1 19 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.840 0.613 18389 16701 1 19 . 1 1 57 57 VAL C C 57 169.082 169.082 173.852 -4.770 18389 16702 1 19 . 1 1 57 57 VAL CA C 57 56.049 56.049 60.655 -4.606 18389 16703 1 19 . 1 1 57 57 VAL CB C 57 33.347 33.347 36.061 -2.714 18389 16704 1 19 . 1 1 57 57 VAL H H 57 8.956 8.956 8.984 -0.028 18389 16705 1 19 . 1 1 58 58 TYR N N 58 131.224 131.224 125.382 5.842 18389 16706 1 19 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.489 0.087 18389 16707 1 19 . 1 1 58 58 TYR C C 58 172.050 172.050 173.014 -0.964 18389 16708 1 19 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.656 -5.074 18389 16709 1 19 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.748 -6.787 18389 16710 1 19 . 1 1 58 58 TYR H H 58 8.641 8.641 9.053 -0.412 18389 16711 1 19 . 1 1 59 59 SER N N 59 123.126 123.126 121.315 1.811 18389 16712 1 19 . 1 1 59 59 SER HA H 59 4.304 4.304 4.693 -0.389 18389 16713 1 19 . 1 1 59 59 SER C C 59 170.891 170.891 173.340 -2.449 18389 16714 1 19 . 1 1 59 59 SER CA C 59 55.452 55.452 57.056 -1.604 18389 16715 1 19 . 1 1 59 59 SER CB C 59 60.048 60.048 64.024 -3.976 18389 16716 1 19 . 1 1 59 59 SER H H 59 8.217 8.217 8.262 -0.045 18389 16717 1 19 . 1 1 60 60 LEU N N 60 126.809 126.809 126.614 0.195 18389 16718 1 19 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.558 -0.305 18389 16719 1 19 . 1 1 60 60 LEU C C 60 173.994 173.994 175.942 -1.948 18389 16720 1 19 . 1 1 60 60 LEU CA C 60 50.050 50.050 52.909 -2.859 18389 16721 1 19 . 1 1 60 60 LEU CB C 60 39.357 39.357 41.939 -2.582 18389 16722 1 19 . 1 1 60 60 LEU H H 60 7.838 7.838 7.978 -0.140 18389 16723 1 19 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.333 0.240 18389 16724 1 19 . 1 1 61 61 PRO C C 61 173.514 173.514 176.236 -2.722 18389 16725 1 19 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.153 -2.901 18389 16726 1 19 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.181 -2.866 18389 16727 1 19 . 1 1 62 62 ASP N N 62 115.943 115.943 117.491 -1.548 18389 16728 1 19 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.896 -0.057 18389 16729 1 19 . 1 1 62 62 ASP C C 62 172.949 172.949 176.457 -3.508 18389 16730 1 19 . 1 1 62 62 ASP CA C 62 50.706 50.706 54.003 -3.297 18389 16731 1 19 . 1 1 62 62 ASP CB C 62 40.031 40.031 44.106 -4.075 18389 16732 1 19 . 1 1 62 62 ASP H H 62 7.018 7.018 8.012 -0.994 18389 16733 1 19 . 1 1 63 63 GLY N N 63 112.680 112.680 108.516 4.164 18389 16734 1 19 . 1 1 63 63 GLY C C 63 170.273 170.273 172.369 -2.096 18389 16735 1 19 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.762 -1.761 18389 16736 1 19 . 1 1 63 63 GLY H H 63 8.417 8.417 8.747 -0.330 18389 16737 1 19 . 1 1 64 64 ASP N N 64 115.221 115.221 118.401 -3.180 18389 16738 1 19 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.732 0.561 18389 16739 1 19 . 1 1 64 64 ASP C C 64 174.354 174.354 175.235 -0.881 18389 16740 1 19 . 1 1 64 64 ASP CA C 64 50.267 50.267 51.898 -1.631 18389 16741 1 19 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.782 -4.442 18389 16742 1 19 . 1 1 64 64 ASP H H 64 7.766 7.766 7.682 0.084 18389 16743 1 19 . 1 1 65 65 TRP N N 65 130.747 130.747 121.780 8.967 18389 16744 1 19 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.286 0.145 18389 16745 1 19 . 1 1 65 65 TRP C C 65 173.930 173.930 177.583 -3.653 18389 16746 1 19 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.576 -4.532 18389 16747 1 19 . 1 1 65 65 TRP CB C 65 26.607 26.607 30.330 -3.723 18389 16748 1 19 . 1 1 65 65 TRP H H 65 9.687 9.687 8.671 1.016 18389 16749 1 19 . 1 1 66 66 SER N N 66 114.151 114.151 116.997 -2.846 18389 16750 1 19 . 1 1 66 66 SER HA H 66 4.041 4.041 4.395 -0.354 18389 16751 1 19 . 1 1 66 66 SER CA C 66 59.812 59.812 60.424 -0.612 18389 16752 1 19 . 1 1 66 66 SER CB C 66 60.892 60.892 63.118 -2.226 18389 16753 1 19 . 1 1 66 66 SER H H 66 8.568 8.568 7.734 0.834 18389 16754 1 19 . 1 1 70 70 LYS N N 70 117.090 117.090 113.800 3.290 18389 16755 1 19 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.009 0.389 18389 16756 1 19 . 1 1 70 70 LYS C C 70 170.030 170.030 174.055 -4.025 18389 16757 1 19 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.847 -3.988 18389 16758 1 19 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.222 -1.266 18389 16759 1 19 . 1 1 70 70 LYS H H 70 8.308 8.308 7.343 0.965 18389 16760 1 19 . 1 1 71 71 ILE N N 71 118.764 118.764 120.260 -1.496 18389 16761 1 19 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.114 1.100 18389 16762 1 19 . 1 1 71 71 ILE C C 71 169.396 169.396 173.736 -4.340 18389 16763 1 19 . 1 1 71 71 ILE CA C 71 55.333 55.333 60.330 -4.997 18389 16764 1 19 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.275 -0.629 18389 16765 1 19 . 1 1 71 71 ILE H H 71 7.816 7.816 7.857 -0.041 18389 16766 1 19 . 1 1 72 72 SER N N 72 120.952 120.952 118.407 2.545 18389 16767 1 19 . 1 1 72 72 SER HA H 72 5.852 5.852 4.956 0.896 18389 16768 1 19 . 1 1 72 72 SER C C 72 170.208 170.208 173.067 -2.859 18389 16769 1 19 . 1 1 72 72 SER CA C 72 52.457 52.457 56.088 -3.631 18389 16770 1 19 . 1 1 72 72 SER CB C 72 64.125 64.125 65.889 -1.764 18389 16771 1 19 . 1 1 72 72 SER H H 72 9.237 9.237 8.137 1.100 18389 16772 1 19 . 1 1 73 73 PHE N N 73 117.161 117.161 115.700 1.461 18389 16773 1 19 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.415 -0.044 18389 16774 1 19 . 1 1 73 73 PHE C C 73 170.381 170.381 173.582 -3.201 18389 16775 1 19 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.794 -1.997 18389 16776 1 19 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.483 -2.911 18389 16777 1 19 . 1 1 73 73 PHE H H 73 8.093 8.093 7.573 0.520 18389 16778 1 19 . 1 1 74 74 ASP N N 74 120.210 120.210 121.383 -1.173 18389 16779 1 19 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.501 0.653 18389 16780 1 19 . 1 1 74 74 ASP C C 74 173.653 173.653 175.138 -1.485 18389 16781 1 19 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.725 -2.829 18389 16782 1 19 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.451 -1.964 18389 16783 1 19 . 1 1 74 74 ASP H H 74 8.993 8.993 8.490 0.503 18389 16784 1 19 . 1 1 75 75 ILE N N 75 121.051 121.051 126.950 -5.899 18389 16785 1 19 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.929 1.324 18389 16786 1 19 . 1 1 75 75 ILE C C 75 171.229 171.229 173.103 -1.874 18389 16787 1 19 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.633 -2.112 18389 16788 1 19 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.346 0.175 18389 16789 1 19 . 1 1 75 75 ILE H H 75 9.681 9.681 8.108 1.573 18389 16790 1 19 . 1 1 76 76 LYS N N 76 124.693 124.693 126.288 -1.595 18389 16791 1 19 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.921 -0.090 18389 16792 1 19 . 1 1 76 76 LYS C C 76 172.283 172.283 174.217 -1.934 18389 16793 1 19 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.403 -1.001 18389 16794 1 19 . 1 1 76 76 LYS CB C 76 32.722 32.722 34.908 -2.186 18389 16795 1 19 . 1 1 76 76 LYS H H 76 8.454 8.454 8.510 -0.056 18389 16796 1 19 . 1 1 77 77 SER N N 77 118.916 118.916 114.694 4.222 18389 16797 1 19 . 1 1 77 77 SER HA H 77 4.816 4.816 4.766 0.050 18389 16798 1 19 . 1 1 77 77 SER C C 77 172.741 172.741 174.221 -1.480 18389 16799 1 19 . 1 1 77 77 SER CA C 77 55.341 55.341 59.163 -3.822 18389 16800 1 19 . 1 1 77 77 SER CB C 77 61.792 61.792 64.099 -2.307 18389 16801 1 19 . 1 1 77 77 SER H H 77 9.236 9.236 8.685 0.551 18389 16802 1 19 . 1 1 78 78 VAL N N 78 120.723 120.723 122.497 -1.774 18389 16803 1 19 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.386 -0.052 18389 16804 1 19 . 1 1 78 78 VAL C C 78 172.941 172.941 173.385 -0.444 18389 16805 1 19 . 1 1 78 78 VAL CA C 78 59.795 59.795 60.372 -0.577 18389 16806 1 19 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.366 -3.098 18389 16807 1 19 . 1 1 78 78 VAL H H 78 8.132 8.132 8.578 -0.446 18389 16808 1 19 . 1 1 79 79 ASP N N 79 119.240 119.240 119.523 -0.283 18389 16809 1 19 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.850 -0.109 18389 16810 1 19 . 1 1 79 79 ASP C C 79 174.199 174.199 177.451 -3.252 18389 16811 1 19 . 1 1 79 79 ASP CA C 79 51.112 51.112 52.940 -1.828 18389 16812 1 19 . 1 1 79 79 ASP CB C 79 39.073 39.073 43.868 -4.795 18389 16813 1 19 . 1 1 79 79 ASP H H 79 8.190 8.190 7.371 0.819 18389 16814 1 19 . 1 1 80 80 GLY N N 80 108.323 108.323 107.319 1.004 18389 16815 1 19 . 1 1 80 80 GLY C C 80 171.858 171.858 174.468 -2.610 18389 16816 1 19 . 1 1 80 80 GLY CA C 80 43.103 43.103 46.293 -3.190 18389 16817 1 19 . 1 1 80 80 GLY H H 80 8.275 8.275 8.608 -0.333 18389 16818 1 19 . 1 1 81 81 SER N N 81 116.291 116.291 114.612 1.679 18389 16819 1 19 . 1 1 81 81 SER HA H 81 4.588 4.588 4.286 0.302 18389 16820 1 19 . 1 1 81 81 SER C C 81 171.588 171.588 173.742 -2.154 18389 16821 1 19 . 1 1 81 81 SER CA C 81 55.552 55.552 59.120 -3.567 18389 16822 1 19 . 1 1 81 81 SER CB C 81 61.910 61.910 63.790 -1.880 18389 16823 1 19 . 1 1 81 81 SER H H 81 8.201 8.201 7.622 0.579 18389 16824 1 19 . 1 1 82 82 ALA N N 82 128.019 128.019 124.885 3.134 18389 16825 1 19 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.633 0.329 18389 16826 1 19 . 1 1 82 82 ALA C C 82 173.332 173.332 175.861 -2.529 18389 16827 1 19 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.767 -2.688 18389 16828 1 19 . 1 1 82 82 ALA CB C 82 16.570 16.570 20.255 -3.685 18389 16829 1 19 . 1 1 82 82 ALA H H 82 8.613 8.613 8.598 0.015 18389 16830 1 19 . 1 1 83 83 ASN N N 83 119.651 119.651 117.301 2.350 18389 16831 1 19 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.772 0.290 18389 16832 1 19 . 1 1 83 83 ASN C C 83 170.848 170.848 175.305 -4.457 18389 16833 1 19 . 1 1 83 83 ASN CA C 83 50.760 50.760 53.240 -2.480 18389 16834 1 19 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.354 -0.565 18389 16835 1 19 . 1 1 83 83 ASN H H 83 8.153 8.153 8.101 0.052 18389 16836 1 19 . 1 1 84 84 GLU N N 84 127.150 127.150 119.793 7.357 18389 16837 1 19 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.488 0.224 18389 16838 1 19 . 1 1 84 84 GLU C C 84 171.647 171.647 176.067 -4.420 18389 16839 1 19 . 1 1 84 84 GLU CA C 84 54.772 54.772 57.150 -2.378 18389 16840 1 19 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.299 -1.598 18389 16841 1 19 . 1 1 84 84 GLU H H 84 8.122 8.122 8.508 -0.386 18389 16842 1 19 . 1 1 85 85 ILE N N 85 117.590 117.590 118.296 -0.706 18389 16843 1 19 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.547 0.086 18389 16844 1 19 . 1 1 85 85 ILE C C 85 171.902 171.902 173.841 -1.939 18389 16845 1 19 . 1 1 85 85 ILE CA C 85 58.031 58.031 58.612 -0.581 18389 16846 1 19 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.651 -1.399 18389 16847 1 19 . 1 1 85 85 ILE H H 85 8.910 8.910 8.769 0.141 18389 16848 1 19 . 1 1 86 86 ARG N N 86 116.697 116.697 118.805 -2.108 18389 16849 1 19 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.616 0.780 18389 16850 1 19 . 1 1 86 86 ARG C C 86 171.787 171.787 175.000 -3.213 18389 16851 1 19 . 1 1 86 86 ARG CA C 86 53.115 53.115 53.813 -0.698 18389 16852 1 19 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.265 -1.203 18389 16853 1 19 . 1 1 86 86 ARG H H 86 9.149 9.149 8.203 0.946 18389 16854 1 19 . 1 1 87 87 PHE N N 87 123.607 123.607 120.322 3.285 18389 16855 1 19 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.385 0.103 18389 16856 1 19 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.409 -1.592 18389 16857 1 19 . 1 1 87 87 PHE CB C 87 40.112 40.112 40.500 -0.388 18389 16858 1 19 . 1 1 87 87 PHE H H 87 9.235 9.235 7.884 1.351 18389 16859 1 19 . 1 1 88 88 MET N N 88 129.893 129.893 120.226 9.667 18389 16860 1 19 . 1 1 88 88 MET HA H 88 5.836 5.836 5.798 0.038 18389 16861 1 19 . 1 1 88 88 MET C C 88 170.768 170.768 174.359 -3.591 18389 16862 1 19 . 1 1 88 88 MET CA C 88 51.118 51.118 54.377 -3.259 18389 16863 1 19 . 1 1 88 88 MET CB C 88 37.224 37.224 37.515 -0.291 18389 16864 1 19 . 1 1 88 88 MET H H 88 8.868 8.868 9.119 -0.251 18389 16865 1 19 . 1 1 89 89 ILE N N 89 124.630 124.630 123.282 1.348 18389 16866 1 19 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.039 -0.501 18389 16867 1 19 . 1 1 89 89 ILE C C 89 171.047 171.047 174.280 -3.233 18389 16868 1 19 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.941 -1.970 18389 16869 1 19 . 1 1 89 89 ILE CB C 89 38.920 38.920 41.708 -2.788 18389 16870 1 19 . 1 1 89 89 ILE H H 89 9.258 9.258 9.306 -0.048 18389 16871 1 19 . 1 1 90 90 ALA N N 90 128.743 128.743 130.151 -1.408 18389 16872 1 19 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.317 0.349 18389 16873 1 19 . 1 1 90 90 ALA C C 90 176.041 176.041 176.287 -0.246 18389 16874 1 19 . 1 1 90 90 ALA CA C 90 46.821 46.821 50.183 -3.362 18389 16875 1 19 . 1 1 90 90 ALA CB C 90 18.331 18.331 20.711 -2.380 18389 16876 1 19 . 1 1 90 90 ALA H H 90 8.749 8.749 9.212 -0.463 18389 16877 1 19 . 1 1 91 91 GLU N N 91 121.616 121.616 125.189 -3.573 18389 16878 1 19 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.268 0.450 18389 16879 1 19 . 1 1 91 91 GLU C C 91 174.217 174.217 176.159 -1.942 18389 16880 1 19 . 1 1 91 91 GLU CA C 91 53.143 53.143 56.132 -2.989 18389 16881 1 19 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.637 -1.790 18389 16882 1 19 . 1 1 91 91 GLU H H 91 8.749 8.749 8.246 0.503 18389 16883 1 19 . 1 1 92 92 LYS N N 92 117.975 117.975 120.747 -2.772 18389 16884 1 19 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.256 0.113 18389 16885 1 19 . 1 1 92 92 LYS C C 92 174.743 174.743 176.067 -1.324 18389 16886 1 19 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.707 -2.347 18389 16887 1 19 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.136 -2.480 18389 16888 1 19 . 1 1 92 92 LYS H H 92 8.014 8.014 8.141 -0.127 18389 16889 1 19 . 1 1 93 93 SER N N 93 115.092 115.092 116.958 -1.866 18389 16890 1 19 . 1 1 93 93 SER HA H 93 4.215 4.215 4.377 -0.162 18389 16891 1 19 . 1 1 93 93 SER C C 93 174.964 174.964 176.486 -1.522 18389 16892 1 19 . 1 1 93 93 SER CA C 93 53.874 53.874 57.477 -3.603 18389 16893 1 19 . 1 1 93 93 SER CB C 93 61.736 61.736 64.111 -2.375 18389 16894 1 19 . 1 1 93 93 SER H H 93 8.083 8.083 8.465 -0.382 18389 16895 1 19 . 1 1 94 94 ILE N N 94 121.880 121.880 119.447 2.433 18389 16896 1 19 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.154 0.232 18389 16897 1 19 . 1 1 94 94 ILE C C 94 174.020 174.020 176.629 -2.609 18389 16898 1 19 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.725 -2.380 18389 16899 1 19 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.069 -2.068 18389 16900 1 19 . 1 1 94 94 ILE H H 94 9.150 9.150 8.577 0.573 18389 16901 1 19 . 1 1 95 95 ASN N N 95 117.349 117.349 118.721 -1.372 18389 16902 1 19 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.826 0.229 18389 16903 1 19 . 1 1 95 95 ASN C C 95 173.659 173.659 175.724 -2.065 18389 16904 1 19 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.877 -3.490 18389 16905 1 19 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.750 -2.084 18389 16906 1 19 . 1 1 95 95 ASN H H 95 8.163 8.163 8.068 0.095 18389 16907 1 19 . 1 1 96 96 GLY N N 96 106.957 106.957 107.627 -0.670 18389 16908 1 19 . 1 1 96 96 GLY C C 96 170.704 170.704 173.950 -3.246 18389 16909 1 19 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.237 -1.918 18389 16910 1 19 . 1 1 96 96 GLY H H 96 7.530 7.530 7.720 -0.190 18389 16911 1 19 . 1 1 97 97 VAL N N 97 119.393 119.393 122.550 -3.157 18389 16912 1 19 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.286 0.068 18389 16913 1 19 . 1 1 97 97 VAL C C 97 173.622 173.622 176.733 -3.111 18389 16914 1 19 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.494 -2.352 18389 16915 1 19 . 1 1 97 97 VAL CB C 97 30.771 30.771 32.141 -1.370 18389 16916 1 19 . 1 1 97 97 VAL H H 97 7.650 7.650 7.199 0.451 18389 16917 1 19 . 1 1 98 98 GLY N N 98 115.075 115.075 116.963 -1.888 18389 16918 1 19 . 1 1 98 98 GLY C C 98 170.065 170.065 173.714 -3.649 18389 16919 1 19 . 1 1 98 98 GLY CA C 98 42.739 42.739 46.862 -4.123 18389 16920 1 19 . 1 1 98 98 GLY H H 98 8.712 8.712 8.936 -0.224 18389 16921 1 19 . 1 1 99 99 ASP N N 99 119.064 119.064 125.403 -6.339 18389 16922 1 19 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.900 -0.225 18389 16923 1 19 . 1 1 99 99 ASP C C 99 172.502 172.502 176.577 -4.075 18389 16924 1 19 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.474 -2.893 18389 16925 1 19 . 1 1 99 99 ASP CB C 99 39.195 39.195 42.361 -3.166 18389 16926 1 19 . 1 1 99 99 ASP H H 99 8.746 8.746 8.253 0.493 18389 16927 1 19 . 1 1 100 100 GLY N N 100 109.333 109.333 109.447 -0.114 18389 16928 1 19 . 1 1 100 100 GLY C C 100 167.638 167.638 173.139 -5.501 18389 16929 1 19 . 1 1 100 100 GLY CA C 100 40.109 40.109 46.208 -6.099 18389 16930 1 19 . 1 1 100 100 GLY H H 100 8.285 8.285 7.698 0.587 18389 16931 1 19 . 1 1 101 101 GLU N N 101 120.835 120.835 122.832 -1.997 18389 16932 1 19 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.773 -0.046 18389 16933 1 19 . 1 1 101 101 GLU C C 101 173.652 173.652 174.621 -0.969 18389 16934 1 19 . 1 1 101 101 GLU CA C 101 55.449 55.449 54.548 0.901 18389 16935 1 19 . 1 1 101 101 GLU CB C 101 31.014 31.014 32.580 -1.566 18389 16936 1 19 . 1 1 101 101 GLU H H 101 8.339 8.339 8.022 0.317 18389 16937 1 19 . 1 1 102 102 HIS N N 102 126.597 126.597 126.123 0.474 18389 16938 1 19 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.027 0.379 18389 16939 1 19 . 1 1 102 102 HIS C C 102 174.479 174.479 174.856 -0.377 18389 16940 1 19 . 1 1 102 102 HIS CA C 102 52.912 52.912 55.513 -2.601 18389 16941 1 19 . 1 1 102 102 HIS CB C 102 33.756 33.756 30.592 3.164 18389 16942 1 19 . 1 1 102 102 HIS H H 102 10.029 10.029 8.190 1.839 18389 16943 1 19 . 1 1 103 103 TRP N N 103 125.616 125.616 124.872 0.744 18389 16944 1 19 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.530 -0.499 18389 16945 1 19 . 1 1 103 103 TRP C C 103 173.236 173.236 175.227 -1.991 18389 16946 1 19 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.210 -1.377 18389 16947 1 19 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.261 -3.071 18389 16948 1 19 . 1 1 103 103 TRP H H 103 9.242 9.242 8.949 0.293 18389 16949 1 19 . 1 1 104 104 VAL N N 104 114.086 114.086 118.125 -4.039 18389 16950 1 19 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.304 0.829 18389 16951 1 19 . 1 1 104 104 VAL C C 104 173.194 173.194 174.522 -1.328 18389 16952 1 19 . 1 1 104 104 VAL CA C 104 57.329 57.329 60.200 -2.871 18389 16953 1 19 . 1 1 104 104 VAL CB C 104 35.443 35.443 34.551 0.892 18389 16954 1 19 . 1 1 104 104 VAL H H 104 10.273 10.273 9.457 0.816 18389 16955 1 19 . 1 1 105 105 TYR N N 105 123.278 123.278 126.924 -3.646 18389 16956 1 19 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.880 -0.220 18389 16957 1 19 . 1 1 105 105 TYR C C 105 172.030 172.030 175.935 -3.905 18389 16958 1 19 . 1 1 105 105 TYR CA C 105 56.722 56.722 57.779 -1.056 18389 16959 1 19 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.335 -0.362 18389 16960 1 19 . 1 1 105 105 TYR H H 105 9.219 9.219 9.192 0.027 18389 16961 1 19 . 1 1 106 106 SER N N 106 123.619 123.619 117.085 6.534 18389 16962 1 19 . 1 1 106 106 SER HA H 106 5.226 5.226 5.302 -0.076 18389 16963 1 19 . 1 1 106 106 SER C C 106 170.291 170.291 173.178 -2.887 18389 16964 1 19 . 1 1 106 106 SER CA C 106 56.800 56.800 57.506 -0.706 18389 16965 1 19 . 1 1 106 106 SER CB C 106 61.265 61.265 64.626 -3.361 18389 16966 1 19 . 1 1 106 106 SER H H 106 7.768 7.768 8.696 -0.928 18389 16967 1 19 . 1 1 107 107 ILE N N 107 120.192 120.192 121.517 -1.325 18389 16968 1 19 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.672 0.087 18389 16969 1 19 . 1 1 107 107 ILE C C 107 171.471 171.471 173.059 -1.588 18389 16970 1 19 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.598 -2.587 18389 16971 1 19 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.784 -2.025 18389 16972 1 19 . 1 1 107 107 ILE H H 107 8.942 8.942 8.804 0.138 18389 16973 1 19 . 1 1 108 108 THR N N 108 118.723 118.723 113.089 5.634 18389 16974 1 19 . 1 1 108 108 THR HA H 108 5.017 5.017 4.869 0.148 18389 16975 1 19 . 1 1 108 108 THR C C 108 170.359 170.359 172.927 -2.568 18389 16976 1 19 . 1 1 108 108 THR CA C 108 56.686 56.686 58.237 -1.552 18389 16977 1 19 . 1 1 108 108 THR CB C 108 67.488 67.488 69.971 -2.483 18389 16978 1 19 . 1 1 108 108 THR H H 108 8.718 8.718 8.144 0.574 18389 16979 1 19 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.662 -0.252 18389 16980 1 19 . 1 1 109 109 PRO C C 109 171.443 171.443 176.051 -4.608 18389 16981 1 19 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.398 -2.574 18389 16982 1 19 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.227 -3.248 18389 16983 1 19 . 1 1 110 110 ASP N N 110 122.785 122.785 121.376 1.409 18389 16984 1 19 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.887 0.261 18389 16985 1 19 . 1 1 110 110 ASP C C 110 174.113 174.113 177.391 -3.278 18389 16986 1 19 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.506 -3.450 18389 16987 1 19 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.542 -2.853 18389 16988 1 19 . 1 1 110 110 ASP H H 110 9.061 9.061 8.603 0.458 18389 16989 1 19 . 1 1 111 111 SER N N 111 112.595 112.595 113.964 -1.369 18389 16990 1 19 . 1 1 111 111 SER HA H 111 4.432 4.432 4.326 0.106 18389 16991 1 19 . 1 1 111 111 SER CA C 111 58.333 58.333 60.083 -1.750 18389 16992 1 19 . 1 1 111 111 SER CB C 111 61.046 61.046 63.697 -2.651 18389 16993 1 19 . 1 1 111 111 SER H H 111 8.435 8.435 8.576 -0.141 18389 16994 1 19 . 1 1 112 112 SER N N 112 116.615 116.615 115.000 1.615 18389 16995 1 19 . 1 1 112 112 SER HA H 112 4.862 4.862 4.570 0.292 18389 16996 1 19 . 1 1 112 112 SER C C 112 170.519 170.519 173.430 -2.911 18389 16997 1 19 . 1 1 112 112 SER CA C 112 54.017 54.017 56.514 -2.497 18389 16998 1 19 . 1 1 112 112 SER CB C 112 62.948 62.948 65.462 -2.514 18389 16999 1 19 . 1 1 112 112 SER H H 112 8.035 8.035 7.410 0.625 18389 17000 1 19 . 1 1 113 113 TRP N N 113 120.576 120.576 121.755 -1.179 18389 17001 1 19 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.585 -0.031 18389 17002 1 19 . 1 1 113 113 TRP C C 113 174.599 174.599 176.653 -2.054 18389 17003 1 19 . 1 1 113 113 TRP CA C 113 56.882 56.882 58.722 -1.840 18389 17004 1 19 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.709 -2.349 18389 17005 1 19 . 1 1 113 113 TRP H H 113 8.318 8.318 8.353 -0.035 18389 17006 1 19 . 1 1 114 114 LYS N N 114 123.372 123.372 125.444 -2.072 18389 17007 1 19 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.581 0.313 18389 17008 1 19 . 1 1 114 114 LYS C C 114 172.772 172.772 174.980 -2.208 18389 17009 1 19 . 1 1 114 114 LYS CA C 114 52.948 52.948 56.104 -3.156 18389 17010 1 19 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.170 -0.920 18389 17011 1 19 . 1 1 114 114 LYS H H 114 8.782 8.782 9.320 -0.538 18389 17012 1 19 . 1 1 115 115 THR N N 115 120.929 120.929 122.788 -1.859 18389 17013 1 19 . 1 1 115 115 THR HA H 115 5.226 5.226 4.672 0.554 18389 17014 1 19 . 1 1 115 115 THR C C 115 171.778 171.778 174.342 -2.564 18389 17015 1 19 . 1 1 115 115 THR CA C 115 59.671 59.671 61.991 -2.320 18389 17016 1 19 . 1 1 115 115 THR CB C 115 66.938 66.938 68.389 -1.451 18389 17017 1 19 . 1 1 115 115 THR H H 115 8.689 8.689 8.367 0.322 18389 17018 1 19 . 1 1 116 116 ILE N N 116 131.929 131.929 129.045 2.884 18389 17019 1 19 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.016 0.168 18389 17020 1 19 . 1 1 116 116 ILE C C 116 171.012 171.012 175.254 -4.242 18389 17021 1 19 . 1 1 116 116 ILE CA C 116 56.357 56.357 59.340 -2.983 18389 17022 1 19 . 1 1 116 116 ILE CB C 116 34.331 34.331 35.818 -1.486 18389 17023 1 19 . 1 1 116 116 ILE H H 116 9.470 9.470 8.840 0.630 18389 17024 1 19 . 1 1 117 117 GLU N N 117 124.514 124.514 127.364 -2.850 18389 17025 1 19 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.654 0.216 18389 17026 1 19 . 1 1 117 117 GLU C C 117 173.332 173.332 175.780 -2.448 18389 17027 1 19 . 1 1 117 117 GLU CA C 117 51.798 51.798 55.731 -3.933 18389 17028 1 19 . 1 1 117 117 GLU CB C 117 29.693 29.693 30.146 -0.453 18389 17029 1 19 . 1 1 117 117 GLU H H 117 8.089 8.089 8.102 -0.013 18389 17030 1 19 . 1 1 118 118 ILE N N 118 125.005 125.005 123.317 1.688 18389 17031 1 19 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.573 -0.150 18389 17032 1 19 . 1 1 118 118 ILE C C 118 171.765 171.765 173.284 -1.519 18389 17033 1 19 . 1 1 118 118 ILE CA C 118 55.640 55.640 58.292 -2.652 18389 17034 1 19 . 1 1 118 118 ILE CB C 118 37.429 37.429 41.373 -3.944 18389 17035 1 19 . 1 1 118 118 ILE H H 118 9.322 9.322 8.633 0.689 18389 17036 1 19 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.355 0.482 18389 17037 1 19 . 1 1 119 119 PRO C C 119 176.780 176.780 177.608 -0.828 18389 17038 1 19 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.935 -2.531 18389 17039 1 19 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.504 -3.439 18389 17040 1 19 . 1 1 120 120 PHE N N 120 124.627 124.627 116.554 8.073 18389 17041 1 19 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.724 0.270 18389 17042 1 19 . 1 1 120 120 PHE C C 120 175.402 175.402 176.765 -1.363 18389 17043 1 19 . 1 1 120 120 PHE CA C 120 59.272 59.272 58.870 0.402 18389 17044 1 19 . 1 1 120 120 PHE CB C 120 35.245 35.245 38.073 -2.828 18389 17045 1 19 . 1 1 120 120 PHE H H 120 8.160 8.160 8.623 -0.463 18389 17046 1 19 . 1 1 121 121 SER N N 121 110.551 110.551 111.223 -0.672 18389 17047 1 19 . 1 1 121 121 SER HA H 121 4.647 4.647 4.277 0.370 18389 17048 1 19 . 1 1 121 121 SER C C 121 173.187 173.187 175.067 -1.880 18389 17049 1 19 . 1 1 121 121 SER CA C 121 57.359 57.359 58.443 -1.084 18389 17050 1 19 . 1 1 121 121 SER CB C 121 60.639 60.639 63.650 -3.011 18389 17051 1 19 . 1 1 121 121 SER H H 121 8.367 8.367 8.030 0.337 18389 17052 1 19 . 1 1 122 122 SER N N 122 117.166 117.166 117.997 -0.831 18389 17053 1 19 . 1 1 122 122 SER HA H 122 4.946 4.946 4.459 0.487 18389 17054 1 19 . 1 1 122 122 SER C C 122 172.296 172.296 173.278 -0.982 18389 17055 1 19 . 1 1 122 122 SER CA C 122 57.525 57.525 60.052 -2.527 18389 17056 1 19 . 1 1 122 122 SER CB C 122 61.716 61.716 63.703 -1.987 18389 17057 1 19 . 1 1 122 122 SER H H 122 8.537 8.537 7.760 0.777 18389 17058 1 19 . 1 1 123 123 PHE N N 123 119.840 119.840 114.138 5.702 18389 17059 1 19 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.719 -0.072 18389 17060 1 19 . 1 1 123 123 PHE C C 123 173.527 173.527 173.250 0.277 18389 17061 1 19 . 1 1 123 123 PHE CA C 123 58.778 58.778 55.962 2.816 18389 17062 1 19 . 1 1 123 123 PHE CB C 123 38.547 38.547 40.312 -1.765 18389 17063 1 19 . 1 1 123 123 PHE H H 123 7.807 7.807 7.152 0.655 18389 17064 1 19 . 1 1 124 124 ARG N N 124 120.098 120.098 120.087 0.011 18389 17065 1 19 . 1 1 124 124 ARG HA H 124 5.341 5.341 4.917 0.424 18389 17066 1 19 . 1 1 124 124 ARG C C 124 172.631 172.631 175.318 -2.687 18389 17067 1 19 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.418 -3.093 18389 17068 1 19 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.522 -2.801 18389 17069 1 19 . 1 1 124 124 ARG H H 124 9.297 9.297 9.055 0.242 18389 17070 1 19 . 1 1 125 125 ARG N N 125 126.739 126.739 121.105 5.634 18389 17071 1 19 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.190 -1.228 18389 17072 1 19 . 1 1 125 125 ARG C C 125 174.319 174.319 176.080 -1.761 18389 17073 1 19 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.437 -0.401 18389 17074 1 19 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.641 -3.293 18389 17075 1 19 . 1 1 125 125 ARG H H 125 8.611 8.611 8.213 0.398 18389 17076 1 19 . 1 1 126 126 ARG N N 126 126.556 126.556 125.742 0.814 18389 17077 1 19 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.523 -0.559 18389 17078 1 19 . 1 1 126 126 ARG C C 126 174.021 174.021 174.762 -0.741 18389 17079 1 19 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.181 0.357 18389 17080 1 19 . 1 1 126 126 ARG CB C 126 29.739 29.739 31.914 -2.175 18389 17081 1 19 . 1 1 126 126 ARG H H 126 7.917 7.917 8.505 -0.588 18389 17082 1 19 . 1 1 127 127 LEU N N 127 124.550 124.550 119.549 5.001 18389 17083 1 19 . 1 1 127 127 LEU HA H 127 4.654 4.654 5.036 -0.382 18389 17084 1 19 . 1 1 127 127 LEU C C 127 175.775 175.775 176.388 -0.613 18389 17085 1 19 . 1 1 127 127 LEU CA C 127 53.208 53.208 54.894 -1.685 18389 17086 1 19 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.591 -1.213 18389 17087 1 19 . 1 1 127 127 LEU H H 127 8.817 8.817 8.450 0.367 18389 17088 1 19 . 1 1 128 128 ASP N N 128 116.209 116.209 121.501 -5.292 18389 17089 1 19 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.482 0.067 18389 17090 1 19 . 1 1 128 128 ASP C C 128 172.491 172.491 174.731 -2.240 18389 17091 1 19 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.727 -3.235 18389 17092 1 19 . 1 1 128 128 ASP CB C 128 36.582 36.582 40.915 -4.333 18389 17093 1 19 . 1 1 128 128 ASP H H 128 9.072 9.072 8.546 0.526 18389 17094 1 19 . 1 1 129 129 TYR N N 129 119.329 119.329 116.232 3.097 18389 17095 1 19 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.805 -0.452 18389 17096 1 19 . 1 1 129 129 TYR C C 129 169.992 169.992 173.417 -3.425 18389 17097 1 19 . 1 1 129 129 TYR CA C 129 56.345 56.345 56.125 0.220 18389 17098 1 19 . 1 1 129 129 TYR CB C 129 38.447 38.447 40.572 -2.125 18389 17099 1 19 . 1 1 129 129 TYR H H 129 7.002 7.002 7.466 -0.464 18389 17100 1 19 . 1 1 130 130 GLN N N 130 121.469 121.469 122.749 -1.280 18389 17101 1 19 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.040 -0.131 18389 17102 1 19 . 1 1 130 130 GLN C C 130 170.223 170.223 173.336 -3.113 18389 17103 1 19 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.856 -3.067 18389 17104 1 19 . 1 1 130 130 GLN CB C 130 29.625 29.625 30.534 -0.909 18389 17105 1 19 . 1 1 130 130 GLN H H 130 6.288 6.288 8.077 -1.789 18389 17106 1 19 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.331 0.079 18389 17107 1 19 . 1 1 132 132 PRO C C 132 175.720 175.720 176.447 -0.727 18389 17108 1 19 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.693 -1.620 18389 17109 1 19 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.319 -3.204 18389 17110 1 19 . 1 1 133 133 GLY N N 133 104.558 104.558 109.059 -4.501 18389 17111 1 19 . 1 1 133 133 GLY C C 133 171.229 171.229 173.009 -1.780 18389 17112 1 19 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.458 -1.942 18389 17113 1 19 . 1 1 133 133 GLY H H 133 8.298 8.298 8.127 0.171 18389 17114 1 19 . 1 1 134 134 GLN N N 134 116.684 116.684 125.002 -8.318 18389 17115 1 19 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.844 -0.477 18389 17116 1 19 . 1 1 134 134 GLN C C 134 172.815 172.815 174.491 -1.676 18389 17117 1 19 . 1 1 134 134 GLN CA C 134 53.804 53.804 52.873 0.931 18389 17118 1 19 . 1 1 134 134 GLN CB C 134 24.866 24.866 30.711 -5.845 18389 17119 1 19 . 1 1 134 134 GLN H H 134 7.273 7.273 8.174 -0.901 18389 17120 1 19 . 1 1 135 135 ASP N N 135 118.688 118.688 120.343 -1.655 18389 17121 1 19 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.625 -0.263 18389 17122 1 19 . 1 1 135 135 ASP C C 135 174.301 174.301 175.028 -0.727 18389 17123 1 19 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.416 -2.606 18389 17124 1 19 . 1 1 135 135 ASP CB C 135 36.904 36.904 42.335 -5.431 18389 17125 1 19 . 1 1 135 135 ASP H H 135 8.844 8.844 8.520 0.324 18389 17126 1 19 . 1 1 136 136 MET N N 136 114.721 114.721 124.924 -10.203 18389 17127 1 19 . 1 1 136 136 MET HA H 136 4.035 4.035 4.690 -0.655 18389 17128 1 19 . 1 1 136 136 MET C C 136 174.252 174.252 176.154 -1.902 18389 17129 1 19 . 1 1 136 136 MET CA C 136 54.461 54.461 54.513 -0.052 18389 17130 1 19 . 1 1 136 136 MET CB C 136 29.439 29.439 32.282 -2.843 18389 17131 1 19 . 1 1 136 136 MET H H 136 7.585 7.585 8.567 -0.982 18389 17132 1 19 . 1 1 137 137 SER N N 137 118.130 118.130 115.905 2.225 18389 17133 1 19 . 1 1 137 137 SER HA H 137 4.392 4.392 4.523 -0.131 18389 17134 1 19 . 1 1 137 137 SER C C 137 174.811 174.811 175.986 -1.175 18389 17135 1 19 . 1 1 137 137 SER CA C 137 57.841 57.841 58.819 -0.978 18389 17136 1 19 . 1 1 137 137 SER CB C 137 62.369 62.369 64.195 -1.826 18389 17137 1 19 . 1 1 137 137 SER H H 137 9.140 9.140 9.326 -0.186 18389 17138 1 19 . 1 1 138 138 GLY N N 138 114.534 114.534 110.993 3.541 18389 17139 1 19 . 1 1 138 138 GLY C C 138 170.903 170.903 173.892 -2.989 18389 17140 1 19 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.556 -1.359 18389 17141 1 19 . 1 1 138 138 GLY H H 138 10.549 10.549 8.313 2.236 18389 17142 1 19 . 1 1 139 139 THR N N 139 112.564 112.564 112.759 -0.195 18389 17143 1 19 . 1 1 139 139 THR HA H 139 4.538 4.538 4.537 0.001 18389 17144 1 19 . 1 1 139 139 THR C C 139 168.086 168.086 173.406 -5.320 18389 17145 1 19 . 1 1 139 139 THR CA C 139 57.132 57.132 60.100 -2.968 18389 17146 1 19 . 1 1 139 139 THR CB C 139 68.854 68.854 71.928 -3.074 18389 17147 1 19 . 1 1 139 139 THR H H 139 8.504 8.504 7.582 0.921 18389 17148 1 19 . 1 1 140 140 LEU N N 140 129.971 129.971 125.139 4.832 18389 17149 1 19 . 1 1 140 140 LEU HA H 140 3.771 3.771 3.799 -0.028 18389 17150 1 19 . 1 1 140 140 LEU C C 140 172.175 172.175 175.946 -3.771 18389 17151 1 19 . 1 1 140 140 LEU CA C 140 51.335 51.335 54.307 -2.972 18389 17152 1 19 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.157 -5.285 18389 17153 1 19 . 1 1 140 140 LEU H H 140 7.900 7.900 7.914 -0.014 18389 17154 1 19 . 1 1 141 141 ASP N N 141 132.200 132.200 130.174 2.026 18389 17155 1 19 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.712 -0.008 18389 17156 1 19 . 1 1 141 141 ASP C C 141 172.137 172.137 175.210 -3.073 18389 17157 1 19 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.006 -1.314 18389 17158 1 19 . 1 1 141 141 ASP CB C 141 38.561 38.561 40.872 -2.311 18389 17159 1 19 . 1 1 141 141 ASP H H 141 9.101 9.101 9.232 -0.131 18389 17160 1 19 . 1 1 142 142 LEU N N 142 122.667 122.667 123.349 -0.682 18389 17161 1 19 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.780 -0.040 18389 17162 1 19 . 1 1 142 142 LEU CA C 142 53.747 53.747 54.473 -0.726 18389 17163 1 19 . 1 1 142 142 LEU CB C 142 39.898 39.898 39.888 0.010 18389 17164 1 19 . 1 1 142 142 LEU H H 142 7.799 7.799 8.199 -0.400 18389 17165 1 19 . 1 1 143 143 ASP N N 143 112.789 112.789 114.995 -2.206 18389 17166 1 19 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.418 0.498 18389 17167 1 19 . 1 1 143 143 ASP C C 143 173.547 173.547 175.784 -2.237 18389 17168 1 19 . 1 1 143 143 ASP CA C 143 51.101 51.101 54.810 -3.709 18389 17169 1 19 . 1 1 143 143 ASP CB C 143 37.298 37.298 41.102 -3.804 18389 17170 1 19 . 1 1 143 143 ASP H H 143 8.473 8.473 8.029 0.444 18389 17171 1 19 . 1 1 144 144 ASN N N 144 120.743 120.743 117.297 3.446 18389 17172 1 19 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.889 0.190 18389 17173 1 19 . 1 1 144 144 ASN C C 144 171.278 171.278 173.165 -1.887 18389 17174 1 19 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.675 -3.201 18389 17175 1 19 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.949 -1.770 18389 17176 1 19 . 1 1 144 144 ASN H H 144 7.867 7.867 7.786 0.081 18389 17177 1 19 . 1 1 145 145 ILE N N 145 122.844 122.844 119.832 3.012 18389 17178 1 19 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.178 -0.338 18389 17179 1 19 . 1 1 145 145 ILE C C 145 172.420 172.420 174.645 -2.225 18389 17180 1 19 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.583 -1.722 18389 17181 1 19 . 1 1 145 145 ILE CB C 145 33.407 33.407 38.564 -5.157 18389 17182 1 19 . 1 1 145 145 ILE H H 145 8.770 8.770 7.919 0.851 18389 17183 1 19 . 1 1 146 146 ASP N N 146 125.428 125.428 124.213 1.215 18389 17184 1 19 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.700 -0.047 18389 17185 1 19 . 1 1 146 146 ASP C C 146 172.931 172.931 175.624 -2.693 18389 17186 1 19 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.187 -1.835 18389 17187 1 19 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.944 -0.032 18389 17188 1 19 . 1 1 146 146 ASP H H 146 9.355 9.355 8.854 0.501 18389 17189 1 19 . 1 1 147 147 SER N N 147 108.442 108.442 112.098 -3.656 18389 17190 1 19 . 1 1 147 147 SER HA H 147 5.054 5.054 5.125 -0.071 18389 17191 1 19 . 1 1 147 147 SER C C 147 169.957 169.957 172.487 -2.530 18389 17192 1 19 . 1 1 147 147 SER CA C 147 54.584 54.584 57.730 -3.147 18389 17193 1 19 . 1 1 147 147 SER CB C 147 62.518 62.518 66.366 -3.848 18389 17194 1 19 . 1 1 147 147 SER H H 147 7.927 7.927 8.200 -0.273 18389 17195 1 19 . 1 1 148 148 ILE N N 148 110.150 110.150 114.105 -3.955 18389 17196 1 19 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.270 0.379 18389 17197 1 19 . 1 1 148 148 ILE C C 148 171.932 171.932 173.838 -1.906 18389 17198 1 19 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.081 -2.459 18389 17199 1 19 . 1 1 148 148 ILE CB C 148 38.713 38.713 42.038 -3.325 18389 17200 1 19 . 1 1 148 148 ILE H H 148 8.043 8.043 9.010 -0.967 18389 17201 1 19 . 1 1 149 149 HIS N N 149 118.612 118.612 119.230 -0.618 18389 17202 1 19 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.689 0.801 18389 17203 1 19 . 1 1 149 149 HIS C C 149 174.287 174.287 173.801 0.486 18389 17204 1 19 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.992 -3.090 18389 17205 1 19 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.165 -1.206 18389 17206 1 19 . 1 1 149 149 HIS H H 149 9.331 9.331 9.257 0.074 18389 17207 1 19 . 1 1 150 150 PHE N N 150 117.037 117.037 123.502 -6.465 18389 17208 1 19 . 1 1 150 150 PHE HA H 150 5.530 5.530 5.355 0.175 18389 17209 1 19 . 1 1 150 150 PHE C C 150 172.808 172.808 173.072 -0.264 18389 17210 1 19 . 1 1 150 150 PHE CA C 150 56.503 56.503 56.431 0.072 18389 17211 1 19 . 1 1 150 150 PHE CB C 150 39.280 39.280 42.298 -3.018 18389 17212 1 19 . 1 1 150 150 PHE H H 150 8.788 8.788 9.189 -0.401 18389 17213 1 19 . 1 1 151 151 MET N N 151 119.781 119.781 123.897 -4.116 18389 17214 1 19 . 1 1 151 151 MET HA H 151 4.664 4.664 4.762 -0.098 18389 17215 1 19 . 1 1 151 151 MET C C 151 170.282 170.282 174.539 -4.257 18389 17216 1 19 . 1 1 151 151 MET CA C 151 52.146 52.146 53.476 -1.330 18389 17217 1 19 . 1 1 151 151 MET CB C 151 34.947 34.947 37.796 -2.849 18389 17218 1 19 . 1 1 151 151 MET H H 151 9.761 9.761 8.690 1.071 18389 17219 1 19 . 1 1 152 152 TYR N N 152 117.149 117.149 118.355 -1.206 18389 17220 1 19 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.049 0.027 18389 17221 1 19 . 1 1 152 152 TYR C C 152 171.554 171.554 174.205 -2.651 18389 17222 1 19 . 1 1 152 152 TYR CA C 152 55.345 55.345 57.930 -2.585 18389 17223 1 19 . 1 1 152 152 TYR CB C 152 36.904 36.904 37.538 -0.634 18389 17224 1 19 . 1 1 152 152 TYR H H 152 6.275 6.275 8.224 -1.949 18389 17225 1 19 . 1 1 153 153 ALA N N 153 121.523 121.523 126.555 -5.032 18389 17226 1 19 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.438 -0.275 18389 17227 1 19 . 1 1 153 153 ALA C C 153 173.777 173.777 175.277 -1.500 18389 17228 1 19 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.055 -2.870 18389 17229 1 19 . 1 1 153 153 ALA CB C 153 19.965 19.965 20.418 -0.453 18389 17230 1 19 . 1 1 153 153 ALA H H 153 10.019 10.019 8.425 1.594 18389 17231 1 19 . 1 1 154 154 ASN N N 154 114.643 114.643 115.068 -0.425 18389 17232 1 19 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.899 0.285 18389 17233 1 19 . 1 1 154 154 ASN C C 154 173.267 173.267 173.677 -0.410 18389 17234 1 19 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.733 -2.818 18389 17235 1 19 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.605 -3.892 18389 17236 1 19 . 1 1 154 154 ASN H H 154 8.141 8.141 7.875 0.266 18389 17237 1 19 . 1 1 156 156 LYS N N 156 119.099 119.099 121.284 -2.185 18389 17238 1 19 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.389 0.349 18389 17239 1 19 . 1 1 156 156 LYS C C 156 173.965 173.965 176.852 -2.887 18389 17240 1 19 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.225 -2.353 18389 17241 1 19 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.258 -2.832 18389 17242 1 19 . 1 1 156 156 LYS H H 156 8.298 8.298 8.049 0.249 18389 17243 1 19 . 1 1 157 157 SER N N 157 115.584 115.584 114.674 0.910 18389 17244 1 19 . 1 1 157 157 SER HA H 157 5.055 5.055 4.580 0.475 18389 17245 1 19 . 1 1 157 157 SER C C 157 169.925 169.925 174.800 -4.875 18389 17246 1 19 . 1 1 157 157 SER CA C 157 55.617 55.617 59.207 -3.590 18389 17247 1 19 . 1 1 157 157 SER CB C 157 63.180 63.180 64.015 -0.835 18389 17248 1 19 . 1 1 157 157 SER H H 157 8.240 8.240 8.387 -0.147 18389 17249 1 19 . 1 1 158 158 GLY N N 158 108.219 108.219 106.313 1.906 18389 17250 1 19 . 1 1 158 158 GLY C C 158 168.322 168.322 171.371 -3.049 18389 17251 1 19 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.228 -1.663 18389 17252 1 19 . 1 1 158 158 GLY H H 158 6.942 6.942 8.529 -1.587 18389 17253 1 19 . 1 1 159 159 LYS N N 159 116.608 116.608 119.405 -2.797 18389 17254 1 19 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.164 0.357 18389 17255 1 19 . 1 1 159 159 LYS C C 159 172.966 172.966 174.689 -1.723 18389 17256 1 19 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.270 -1.129 18389 17257 1 19 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.359 -1.654 18389 17258 1 19 . 1 1 159 159 LYS H H 159 7.925 7.925 7.361 0.564 18389 17259 1 19 . 1 1 160 160 PHE N N 160 121.804 121.804 120.287 1.517 18389 17260 1 19 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.239 0.286 18389 17261 1 19 . 1 1 160 160 PHE C C 160 168.125 168.125 173.850 -5.725 18389 17262 1 19 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.334 -3.019 18389 17263 1 19 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.415 -4.364 18389 17264 1 19 . 1 1 160 160 PHE H H 160 8.834 8.834 9.177 -0.343 18389 17265 1 19 . 1 1 161 161 VAL N N 161 119.787 119.787 116.289 3.498 18389 17266 1 19 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.111 0.267 18389 17267 1 19 . 1 1 161 161 VAL C C 161 170.736 170.736 173.694 -2.958 18389 17268 1 19 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.166 -3.510 18389 17269 1 19 . 1 1 161 161 VAL CB C 161 31.937 31.937 34.666 -2.729 18389 17270 1 19 . 1 1 161 161 VAL H H 161 9.277 9.277 9.097 0.180 18389 17271 1 19 . 1 1 162 162 VAL N N 162 121.357 121.357 123.499 -2.142 18389 17272 1 19 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.129 0.838 18389 17273 1 19 . 1 1 162 162 VAL C C 162 170.928 170.928 173.624 -2.696 18389 17274 1 19 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.961 -4.275 18389 17275 1 19 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.363 -1.521 18389 17276 1 19 . 1 1 162 162 VAL H H 162 8.453 8.453 7.717 0.736 18389 17277 1 19 . 1 1 163 163 ASP N N 163 119.088 119.088 124.392 -5.304 18389 17278 1 19 . 1 1 163 163 ASP HA H 163 5.579 5.579 4.993 0.586 18389 17279 1 19 . 1 1 163 163 ASP C C 163 172.563 172.563 174.435 -1.872 18389 17280 1 19 . 1 1 163 163 ASP CA C 163 49.482 49.482 53.630 -4.149 18389 17281 1 19 . 1 1 163 163 ASP CB C 163 42.463 42.463 44.773 -2.310 18389 17282 1 19 . 1 1 163 163 ASP H H 163 9.233 9.233 8.086 1.147 18389 17283 1 19 . 1 1 164 164 ASN N N 164 117.316 117.316 116.894 0.422 18389 17284 1 19 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.483 0.166 18389 17285 1 19 . 1 1 164 164 ASN C C 164 170.940 170.940 173.791 -2.851 18389 17286 1 19 . 1 1 164 164 ASN CA C 164 52.672 52.672 53.979 -1.307 18389 17287 1 19 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.996 -2.601 18389 17288 1 19 . 1 1 164 164 ASN H H 164 9.864 9.864 9.174 0.690 18389 17289 1 19 . 1 1 165 165 ILE N N 165 118.660 118.660 118.820 -0.160 18389 17290 1 19 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.354 1.085 18389 17291 1 19 . 1 1 165 165 ILE C C 165 173.336 173.336 174.890 -1.554 18389 17292 1 19 . 1 1 165 165 ILE CA C 165 59.155 59.155 61.783 -2.628 18389 17293 1 19 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.341 -2.154 18389 17294 1 19 . 1 1 165 165 ILE H H 165 8.716 8.716 7.989 0.727 18389 17295 1 19 . 1 1 166 166 LYS N N 166 127.896 127.896 125.940 1.956 18389 17296 1 19 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.123 0.055 18389 17297 1 19 . 1 1 166 166 LYS C C 166 170.453 170.453 175.317 -4.864 18389 17298 1 19 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.689 -1.165 18389 17299 1 19 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.043 -0.797 18389 17300 1 19 . 1 1 166 166 LYS H H 166 9.921 9.921 8.988 0.933 18389 17301 1 19 . 1 1 167 167 LEU N N 167 120.747 120.747 124.454 -3.707 18389 17302 1 19 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.679 0.157 18389 17303 1 19 . 1 1 167 167 LEU C C 167 173.703 173.703 176.397 -2.694 18389 17304 1 19 . 1 1 167 167 LEU CA C 167 50.579 50.579 54.056 -3.477 18389 17305 1 19 . 1 1 167 167 LEU CB C 167 40.711 40.711 42.987 -2.276 18389 17306 1 19 . 1 1 167 167 LEU H H 167 8.552 8.552 8.783 -0.231 18389 17307 1 19 . 1 1 168 168 ILE N N 168 116.914 116.914 122.812 -5.898 18389 17308 1 19 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.268 0.721 18389 17309 1 19 . 1 1 168 168 ILE C C 168 173.923 173.923 177.426 -3.503 18389 17310 1 19 . 1 1 168 168 ILE CA C 168 57.376 57.376 59.574 -2.198 18389 17311 1 19 . 1 1 168 168 ILE CB C 168 38.938 38.938 36.228 2.710 18389 17312 1 19 . 1 1 168 168 ILE H H 168 8.523 8.523 8.593 -0.070 18389 17313 1 19 . 1 1 169 169 GLY N N 169 114.527 114.527 116.124 -1.597 18389 17314 1 19 . 1 1 169 169 GLY C C 169 169.252 169.252 173.707 -4.455 18389 17315 1 19 . 1 1 169 169 GLY CA C 169 42.925 42.925 46.124 -3.199 18389 17316 1 19 . 1 1 169 169 GLY H H 169 8.942 8.942 9.528 -0.586 18389 17317 1 19 . 1 1 170 170 ALA N N 170 123.678 123.678 121.181 2.497 18389 17318 1 19 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.684 -0.260 18389 17319 1 19 . 1 1 170 170 ALA C C 170 174.985 174.985 176.067 -1.082 18389 17320 1 19 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.138 -1.794 18389 17321 1 19 . 1 1 170 170 ALA CB C 170 17.087 17.087 21.634 -4.547 18389 17322 1 19 . 1 1 170 170 ALA H H 170 8.321 8.321 7.442 0.879 18389 17323 1 19 . 1 1 171 171 LEU N N 171 122.139 122.139 123.687 -1.548 18389 17324 1 19 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.621 -0.216 18389 17325 1 19 . 1 1 171 171 LEU C C 171 174.478 174.478 175.697 -1.219 18389 17326 1 19 . 1 1 171 171 LEU CA C 171 52.634 52.634 53.949 -1.315 18389 17327 1 19 . 1 1 171 171 LEU CB C 171 40.111 40.111 40.951 -0.840 18389 17328 1 19 . 1 1 171 171 LEU H H 171 8.182 8.182 8.671 -0.489 18389 17329 1 20 . 1 1 2 2 ALA N N 2 119.048 119.048 125.486 -6.438 18389 17330 1 20 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.790 -0.506 18389 17331 1 20 . 1 1 2 2 ALA C C 2 174.144 174.144 177.734 -3.590 18389 17332 1 20 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.327 -2.944 18389 17333 1 20 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.817 0.012 18389 17334 1 20 . 1 1 2 2 ALA H H 2 9.577 9.577 8.311 1.266 18389 17335 1 20 . 1 1 3 3 SER N N 3 114.278 114.278 117.532 -3.254 18389 17336 1 20 . 1 1 3 3 SER C C 3 173.040 173.040 174.360 -1.320 18389 17337 1 20 . 1 1 3 3 SER H H 3 8.152 8.152 8.423 -0.271 18389 17338 1 20 . 1 1 6 6 GLY N N 6 112.362 112.362 110.763 1.599 18389 17339 1 20 . 1 1 6 6 GLY C C 6 170.686 170.686 173.556 -2.870 18389 17340 1 20 . 1 1 6 6 GLY CA C 6 43.313 43.313 44.925 -1.612 18389 17341 1 20 . 1 1 6 6 GLY H H 6 8.750 8.750 8.857 -0.107 18389 17342 1 20 . 1 1 7 7 GLU N N 7 117.722 117.722 122.182 -4.460 18389 17343 1 20 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.422 0.007 18389 17344 1 20 . 1 1 7 7 GLU C C 7 172.744 172.744 175.630 -2.886 18389 17345 1 20 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.056 -1.808 18389 17346 1 20 . 1 1 7 7 GLU CB C 7 31.170 31.170 32.836 -1.666 18389 17347 1 20 . 1 1 7 7 GLU H H 7 8.078 8.078 8.050 0.028 18389 17348 1 20 . 1 1 8 8 LYS N N 8 122.832 122.832 118.971 3.861 18389 17349 1 20 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.628 -0.089 18389 17350 1 20 . 1 1 8 8 LYS C C 8 171.963 171.963 174.698 -2.735 18389 17351 1 20 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.183 -1.618 18389 17352 1 20 . 1 1 8 8 LYS CB C 8 33.185 33.185 34.462 -1.277 18389 17353 1 20 . 1 1 8 8 LYS H H 8 8.434 8.434 8.702 -0.268 18389 17354 1 20 . 1 1 9 9 MET N N 9 128.562 128.562 123.651 4.911 18389 17355 1 20 . 1 1 9 9 MET HA H 9 4.536 4.536 4.391 0.145 18389 17356 1 20 . 1 1 9 9 MET C C 9 172.911 172.911 175.291 -2.380 18389 17357 1 20 . 1 1 9 9 MET CA C 9 53.012 53.012 54.926 -1.914 18389 17358 1 20 . 1 1 9 9 MET CB C 9 28.376 28.376 33.124 -4.748 18389 17359 1 20 . 1 1 9 9 MET H H 9 8.984 8.984 8.626 0.358 18389 17360 1 20 . 1 1 10 10 LEU N N 10 129.881 129.881 127.078 2.803 18389 17361 1 20 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.615 0.049 18389 17362 1 20 . 1 1 10 10 LEU C C 10 174.887 174.887 175.993 -1.106 18389 17363 1 20 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.630 -2.417 18389 17364 1 20 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.767 -3.368 18389 17365 1 20 . 1 1 10 10 LEU H H 10 9.751 9.751 8.867 0.884 18389 17366 1 20 . 1 1 11 11 ASP N N 11 115.516 115.516 115.058 0.458 18389 17367 1 20 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.771 -0.048 18389 17368 1 20 . 1 1 11 11 ASP C C 11 170.836 170.836 173.938 -3.102 18389 17369 1 20 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.814 -0.231 18389 17370 1 20 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.737 -3.518 18389 17371 1 20 . 1 1 11 11 ASP H H 11 8.110 8.110 7.471 0.639 18389 17372 1 20 . 1 1 12 12 ASP N N 12 124.144 124.144 123.107 1.037 18389 17373 1 20 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.715 0.136 18389 17374 1 20 . 1 1 12 12 ASP C C 12 175.055 175.055 176.176 -1.121 18389 17375 1 20 . 1 1 12 12 ASP CA C 12 50.310 50.310 52.517 -2.207 18389 17376 1 20 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.280 -3.085 18389 17377 1 20 . 1 1 12 12 ASP H H 12 8.053 8.053 8.524 -0.471 18389 17378 1 20 . 1 1 13 13 PHE N N 13 117.584 117.584 115.749 1.835 18389 17379 1 20 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.226 0.046 18389 17380 1 20 . 1 1 13 13 PHE C C 13 171.960 171.960 175.459 -3.499 18389 17381 1 20 . 1 1 13 13 PHE CA C 13 58.913 58.913 59.235 -0.322 18389 17382 1 20 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.554 -4.379 18389 17383 1 20 . 1 1 13 13 PHE H H 13 9.327 9.327 7.985 1.342 18389 17384 1 20 . 1 1 14 14 GLU N N 14 113.122 113.122 117.465 -4.343 18389 17385 1 20 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.609 0.440 18389 17386 1 20 . 1 1 14 14 GLU C C 14 175.300 175.300 177.029 -1.729 18389 17387 1 20 . 1 1 14 14 GLU CA C 14 51.981 51.981 56.707 -4.726 18389 17388 1 20 . 1 1 14 14 GLU CB C 14 24.994 24.994 30.018 -5.024 18389 17389 1 20 . 1 1 14 14 GLU H H 14 8.165 8.165 8.550 -0.385 18389 17390 1 20 . 1 1 15 15 GLY N N 15 110.108 110.108 107.942 2.166 18389 17391 1 20 . 1 1 15 15 GLY C C 15 171.609 171.609 172.904 -1.295 18389 17392 1 20 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.956 -3.102 18389 17393 1 20 . 1 1 15 15 GLY H H 15 8.117 8.117 7.661 0.456 18389 17394 1 20 . 1 1 16 16 VAL N N 16 121.792 121.792 121.512 0.280 18389 17395 1 20 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.219 0.052 18389 17396 1 20 . 1 1 16 16 VAL C C 16 173.203 173.203 176.063 -2.860 18389 17397 1 20 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.445 -3.162 18389 17398 1 20 . 1 1 16 16 VAL CB C 16 30.201 30.201 31.846 -1.645 18389 17399 1 20 . 1 1 16 16 VAL H H 16 8.190 8.190 8.156 0.034 18389 17400 1 20 . 1 1 17 17 LEU N N 17 124.682 124.682 126.502 -1.820 18389 17401 1 20 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.734 0.164 18389 17402 1 20 . 1 1 17 17 LEU C C 17 174.685 174.685 177.155 -2.470 18389 17403 1 20 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.310 -2.512 18389 17404 1 20 . 1 1 17 17 LEU CB C 17 39.136 39.136 43.461 -4.325 18389 17405 1 20 . 1 1 17 17 LEU H H 17 8.500 8.500 8.493 0.007 18389 17406 1 20 . 1 1 18 18 ASN N N 18 127.589 127.589 118.801 8.788 18389 17407 1 20 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.808 0.339 18389 17408 1 20 . 1 1 18 18 ASN C C 18 171.583 171.583 174.736 -3.153 18389 17409 1 20 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.650 -1.673 18389 17410 1 20 . 1 1 18 18 ASN CB C 18 37.143 37.143 39.136 -1.993 18389 17411 1 20 . 1 1 18 18 ASN H H 18 9.956 9.956 8.735 1.221 18389 17412 1 20 . 1 1 19 19 TRP N N 19 119.913 119.913 121.221 -1.308 18389 17413 1 20 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.142 -0.084 18389 17414 1 20 . 1 1 19 19 TRP C C 19 174.918 174.918 177.557 -2.639 18389 17415 1 20 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.721 -1.345 18389 17416 1 20 . 1 1 19 19 TRP CB C 19 27.400 27.400 30.252 -2.852 18389 17417 1 20 . 1 1 19 19 TRP H H 19 7.057 7.057 7.820 -0.763 18389 17418 1 20 . 1 1 20 20 GLY N N 20 112.934 112.934 109.835 3.099 18389 17419 1 20 . 1 1 20 20 GLY C C 20 171.436 171.436 172.526 -1.090 18389 17420 1 20 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.764 -3.824 18389 17421 1 20 . 1 1 20 20 GLY H H 20 9.622 9.622 9.113 0.509 18389 17422 1 20 . 1 1 21 21 SER N N 21 114.752 114.752 116.141 -1.389 18389 17423 1 20 . 1 1 21 21 SER HA H 21 5.686 5.686 5.440 0.246 18389 17424 1 20 . 1 1 21 21 SER C C 21 170.314 170.314 173.364 -3.050 18389 17425 1 20 . 1 1 21 21 SER CA C 21 55.911 55.911 57.234 -1.323 18389 17426 1 20 . 1 1 21 21 SER CB C 21 64.070 64.070 67.120 -3.050 18389 17427 1 20 . 1 1 21 21 SER H H 21 8.899 8.899 8.359 0.540 18389 17428 1 20 . 1 1 22 22 TYR N N 22 118.001 118.001 119.981 -1.980 18389 17429 1 20 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.951 0.349 18389 17430 1 20 . 1 1 22 22 TYR C C 22 170.760 170.760 172.870 -2.110 18389 17431 1 20 . 1 1 22 22 TYR CA C 22 53.650 53.650 57.310 -3.660 18389 17432 1 20 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.918 -3.094 18389 17433 1 20 . 1 1 22 22 TYR H H 22 8.807 8.807 8.624 0.183 18389 17434 1 20 . 1 1 23 23 SER N N 23 109.826 109.826 115.619 -5.793 18389 17435 1 20 . 1 1 23 23 SER HA H 23 4.912 4.912 4.798 0.114 18389 17436 1 20 . 1 1 23 23 SER C C 23 169.918 169.918 173.850 -3.932 18389 17437 1 20 . 1 1 23 23 SER CA C 23 55.664 55.664 57.654 -1.990 18389 17438 1 20 . 1 1 23 23 SER CB C 23 62.361 62.361 65.893 -3.532 18389 17439 1 20 . 1 1 23 23 SER H H 23 8.435 8.435 8.490 -0.055 18389 17440 1 20 . 1 1 24 24 GLY N N 24 103.788 103.788 108.918 -5.130 18389 17441 1 20 . 1 1 24 24 GLY C C 24 170.240 170.240 174.871 -4.631 18389 17442 1 20 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.157 -2.390 18389 17443 1 20 . 1 1 24 24 GLY H H 24 7.339 7.339 7.490 -0.151 18389 17444 1 20 . 1 1 25 25 GLU N N 25 116.420 116.420 121.613 -5.193 18389 17445 1 20 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.698 -0.589 18389 17446 1 20 . 1 1 25 25 GLU C C 25 173.683 173.683 176.357 -2.674 18389 17447 1 20 . 1 1 25 25 GLU CA C 25 53.687 53.687 55.594 -1.907 18389 17448 1 20 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.646 -4.500 18389 17449 1 20 . 1 1 25 25 GLU H H 25 8.962 8.962 7.652 1.310 18389 17450 1 20 . 1 1 26 26 GLY N N 26 106.660 106.660 112.180 -5.520 18389 17451 1 20 . 1 1 26 26 GLY C C 26 171.638 171.638 174.331 -2.693 18389 17452 1 20 . 1 1 26 26 GLY CA C 26 43.173 43.173 45.976 -2.803 18389 17453 1 20 . 1 1 26 26 GLY H H 26 8.483 8.483 8.822 -0.339 18389 17454 1 20 . 1 1 27 27 ALA N N 27 123.407 123.407 123.087 0.320 18389 17455 1 20 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.312 0.335 18389 17456 1 20 . 1 1 27 27 ALA C C 27 174.232 174.232 175.706 -1.474 18389 17457 1 20 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.643 -2.080 18389 17458 1 20 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.786 -3.248 18389 17459 1 20 . 1 1 27 27 ALA H H 27 7.182 7.182 7.619 -0.437 18389 17460 1 20 . 1 1 28 28 LYS N N 28 117.590 117.590 122.073 -4.483 18389 17461 1 20 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.547 0.345 18389 17462 1 20 . 1 1 28 28 LYS C C 28 171.365 171.365 175.400 -4.035 18389 17463 1 20 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.989 -3.570 18389 17464 1 20 . 1 1 28 28 LYS CB C 28 34.544 34.544 34.870 -0.326 18389 17465 1 20 . 1 1 28 28 LYS H H 28 8.650 8.650 8.843 -0.193 18389 17466 1 20 . 1 1 29 29 VAL N N 29 118.148 118.148 125.752 -7.604 18389 17467 1 20 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.472 0.769 18389 17468 1 20 . 1 1 29 29 VAL C C 29 169.809 169.809 175.280 -5.471 18389 17469 1 20 . 1 1 29 29 VAL CA C 29 57.083 57.083 63.274 -6.191 18389 17470 1 20 . 1 1 29 29 VAL CB C 29 31.475 31.475 32.445 -0.970 18389 17471 1 20 . 1 1 29 29 VAL H H 29 8.327 8.327 8.419 -0.092 18389 17472 1 20 . 1 1 30 30 SER N N 30 120.964 120.964 120.323 0.641 18389 17473 1 20 . 1 1 30 30 SER HA H 30 4.993 4.993 4.838 0.155 18389 17474 1 20 . 1 1 30 30 SER C C 30 170.354 170.354 172.350 -1.996 18389 17475 1 20 . 1 1 30 30 SER CA C 30 54.438 54.438 57.930 -3.492 18389 17476 1 20 . 1 1 30 30 SER CB C 30 63.262 63.262 66.286 -3.024 18389 17477 1 20 . 1 1 30 30 SER H H 30 8.797 8.797 8.416 0.381 18389 17478 1 20 . 1 1 31 31 THR N N 31 112.970 112.970 115.194 -2.224 18389 17479 1 20 . 1 1 31 31 THR HA H 31 5.618 5.618 5.414 0.204 18389 17480 1 20 . 1 1 31 31 THR C C 31 171.857 171.857 174.331 -2.474 18389 17481 1 20 . 1 1 31 31 THR CA C 31 56.212 56.212 60.024 -3.812 18389 17482 1 20 . 1 1 31 31 THR CB C 31 69.719 69.719 70.907 -1.188 18389 17483 1 20 . 1 1 31 31 THR H H 31 8.384 8.384 8.216 0.168 18389 17484 1 20 . 1 1 32 32 LYS N N 32 119.710 119.710 122.862 -3.152 18389 17485 1 20 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.619 0.107 18389 17486 1 20 . 1 1 32 32 LYS C C 32 171.734 171.734 174.955 -3.221 18389 17487 1 20 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.800 -1.827 18389 17488 1 20 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.256 -2.162 18389 17489 1 20 . 1 1 32 32 LYS H H 32 8.530 8.530 8.718 -0.188 18389 17490 1 20 . 1 1 33 33 ILE N N 33 124.276 124.276 123.152 1.124 18389 17491 1 20 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.501 0.473 18389 17492 1 20 . 1 1 33 33 ILE C C 33 173.578 173.578 176.148 -2.570 18389 17493 1 20 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.228 -2.789 18389 17494 1 20 . 1 1 33 33 ILE CB C 33 33.463 33.463 37.066 -3.603 18389 17495 1 20 . 1 1 33 33 ILE H H 33 8.669 8.669 8.451 0.218 18389 17496 1 20 . 1 1 34 34 VAL N N 34 121.698 121.698 124.234 -2.536 18389 17497 1 20 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.709 0.158 18389 17498 1 20 . 1 1 34 34 VAL C C 34 172.702 172.702 175.078 -2.376 18389 17499 1 20 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.537 -2.878 18389 17500 1 20 . 1 1 34 34 VAL CB C 34 33.909 33.909 33.996 -0.087 18389 17501 1 20 . 1 1 34 34 VAL H H 34 8.463 8.463 8.606 -0.143 18389 17502 1 20 . 1 1 35 35 SER N N 35 115.704 115.704 115.501 0.203 18389 17503 1 20 . 1 1 35 35 SER HA H 35 4.590 4.590 4.448 0.142 18389 17504 1 20 . 1 1 35 35 SER CA C 35 58.345 58.345 59.230 -0.885 18389 17505 1 20 . 1 1 35 35 SER CB C 35 60.619 60.619 63.365 -2.746 18389 17506 1 20 . 1 1 35 35 SER H H 35 8.271 8.271 8.363 -0.092 18389 17507 1 20 . 1 1 36 36 GLY N N 36 113.970 113.970 111.130 2.840 18389 17508 1 20 . 1 1 36 36 GLY C C 36 170.257 170.257 173.188 -2.931 18389 17509 1 20 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.118 -3.420 18389 17510 1 20 . 1 1 36 36 GLY H H 36 9.267 9.267 7.921 1.346 18389 17511 1 20 . 1 1 37 37 LYS N N 37 129.227 129.227 118.940 10.287 18389 17512 1 20 . 1 1 37 37 LYS HA H 37 3.355 3.355 4.266 -0.911 18389 17513 1 20 . 1 1 37 37 LYS C C 37 174.912 174.912 176.661 -1.749 18389 17514 1 20 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.886 -2.331 18389 17515 1 20 . 1 1 37 37 LYS CB C 37 29.409 29.409 33.263 -3.854 18389 17516 1 20 . 1 1 37 37 LYS H H 37 8.484 8.484 8.876 -0.392 18389 17517 1 20 . 1 1 38 38 THR N N 38 109.924 109.924 111.672 -1.748 18389 17518 1 20 . 1 1 38 38 THR HA H 38 4.398 4.398 4.527 -0.129 18389 17519 1 20 . 1 1 38 38 THR C C 38 171.818 171.818 173.764 -1.946 18389 17520 1 20 . 1 1 38 38 THR CA C 38 57.223 57.223 61.249 -4.026 18389 17521 1 20 . 1 1 38 38 THR CB C 38 67.805 67.805 70.367 -2.562 18389 17522 1 20 . 1 1 38 38 THR H H 38 7.549 7.549 8.134 -0.585 18389 17523 1 20 . 1 1 40 40 ASN N N 40 129.674 129.674 122.493 7.181 18389 17524 1 20 . 1 1 40 40 ASN HA H 40 5.523 5.523 4.840 0.683 18389 17525 1 20 . 1 1 40 40 ASN C C 40 173.717 173.717 175.309 -1.592 18389 17526 1 20 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.522 -2.200 18389 17527 1 20 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.605 -2.417 18389 17528 1 20 . 1 1 40 40 ASN H H 40 10.958 10.958 8.847 2.111 18389 17529 1 20 . 1 1 41 41 GLY N N 41 111.261 111.261 106.015 5.246 18389 17530 1 20 . 1 1 41 41 GLY C C 41 166.652 166.652 172.046 -5.394 18389 17531 1 20 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.550 -1.839 18389 17532 1 20 . 1 1 41 41 GLY H H 41 9.674 9.674 8.739 0.935 18389 17533 1 20 . 1 1 42 42 MET N N 42 119.165 119.165 119.587 -0.422 18389 17534 1 20 . 1 1 42 42 MET HA H 42 4.849 4.849 5.150 -0.301 18389 17535 1 20 . 1 1 42 42 MET C C 42 171.154 171.154 173.325 -2.171 18389 17536 1 20 . 1 1 42 42 MET CA C 42 51.503 51.503 53.955 -2.452 18389 17537 1 20 . 1 1 42 42 MET CB C 42 33.293 33.293 36.111 -2.818 18389 17538 1 20 . 1 1 42 42 MET H H 42 7.550 7.550 8.569 -1.019 18389 17539 1 20 . 1 1 43 43 GLU N N 43 128.221 128.221 125.457 2.764 18389 17540 1 20 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.284 -0.418 18389 17541 1 20 . 1 1 43 43 GLU C C 43 172.612 172.612 174.140 -1.528 18389 17542 1 20 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.022 -2.343 18389 17543 1 20 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.746 -3.350 18389 17544 1 20 . 1 1 43 43 GLU H H 43 9.355 9.355 9.041 0.314 18389 17545 1 20 . 1 1 44 44 VAL N N 44 131.011 131.011 121.001 10.010 18389 17546 1 20 . 1 1 44 44 VAL HA H 44 4.362 4.362 5.135 -0.773 18389 17547 1 20 . 1 1 44 44 VAL C C 44 171.752 171.752 173.628 -1.876 18389 17548 1 20 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.248 -0.914 18389 17549 1 20 . 1 1 44 44 VAL CB C 44 28.950 28.950 35.055 -6.105 18389 17550 1 20 . 1 1 44 44 VAL H H 44 9.002 9.002 8.872 0.130 18389 17551 1 20 . 1 1 45 45 SER N N 45 120.764 120.764 121.832 -1.068 18389 17552 1 20 . 1 1 45 45 SER HA H 45 4.975 4.975 5.555 -0.580 18389 17553 1 20 . 1 1 45 45 SER C C 45 170.500 170.500 172.529 -2.029 18389 17554 1 20 . 1 1 45 45 SER CA C 45 53.547 53.547 55.958 -2.411 18389 17555 1 20 . 1 1 45 45 SER CB C 45 61.650 61.650 65.479 -3.829 18389 17556 1 20 . 1 1 45 45 SER H H 45 8.511 8.511 8.829 -0.318 18389 17557 1 20 . 1 1 46 46 TYR N N 46 123.478 123.478 122.140 1.338 18389 17558 1 20 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.522 -0.247 18389 17559 1 20 . 1 1 46 46 TYR C C 46 171.644 171.644 173.712 -2.068 18389 17560 1 20 . 1 1 46 46 TYR CA C 46 52.235 52.235 55.568 -3.333 18389 17561 1 20 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.074 -3.609 18389 17562 1 20 . 1 1 46 46 TYR H H 46 8.511 8.511 9.008 -0.497 18389 17563 1 20 . 1 1 47 47 THR N N 47 118.641 118.641 118.895 -0.254 18389 17564 1 20 . 1 1 47 47 THR HA H 47 4.793 4.793 4.211 0.582 18389 17565 1 20 . 1 1 47 47 THR C C 47 171.614 171.614 174.218 -2.604 18389 17566 1 20 . 1 1 47 47 THR CA C 47 58.267 58.267 61.982 -3.715 18389 17567 1 20 . 1 1 47 47 THR CB C 47 68.820 68.820 69.760 -0.940 18389 17568 1 20 . 1 1 47 47 THR H H 47 8.935 8.935 8.016 0.919 18389 17569 1 20 . 1 1 48 48 GLY N N 48 112.467 112.467 111.645 0.822 18389 17570 1 20 . 1 1 48 48 GLY C C 48 170.521 170.521 172.425 -1.904 18389 17571 1 20 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.037 -0.961 18389 17572 1 20 . 1 1 48 48 GLY H H 48 7.723 7.723 7.832 -0.109 18389 17573 1 20 . 1 1 49 49 THR N N 49 106.823 106.823 110.208 -3.385 18389 17574 1 20 . 1 1 49 49 THR HA H 49 4.913 4.913 4.487 0.426 18389 17575 1 20 . 1 1 49 49 THR C C 49 172.529 172.529 174.009 -1.480 18389 17576 1 20 . 1 1 49 49 THR CA C 49 57.385 57.385 59.621 -2.236 18389 17577 1 20 . 1 1 49 49 THR CB C 49 69.609 69.609 71.468 -1.859 18389 17578 1 20 . 1 1 49 49 THR H H 49 8.019 8.019 6.945 1.074 18389 17579 1 20 . 1 1 51 51 ASP N N 51 118.095 118.095 119.133 -1.038 18389 17580 1 20 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.785 0.219 18389 17581 1 20 . 1 1 51 51 ASP C C 51 172.913 172.913 176.041 -3.128 18389 17582 1 20 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.057 -1.812 18389 17583 1 20 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.040 -2.270 18389 17584 1 20 . 1 1 51 51 ASP H H 51 8.613 8.613 8.072 0.541 18389 17585 1 20 . 1 1 52 52 GLY N N 52 107.075 107.075 109.187 -2.112 18389 17586 1 20 . 1 1 52 52 GLY C C 52 169.748 169.748 173.161 -3.413 18389 17587 1 20 . 1 1 52 52 GLY CA C 52 42.906 42.906 45.091 -2.185 18389 17588 1 20 . 1 1 52 52 GLY H H 52 7.651 7.651 8.311 -0.660 18389 17589 1 20 . 1 1 53 53 TYR N N 53 112.556 112.556 114.793 -2.237 18389 17590 1 20 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.056 -0.435 18389 17591 1 20 . 1 1 53 53 TYR C C 53 169.219 169.219 172.797 -3.578 18389 17592 1 20 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.396 -4.290 18389 17593 1 20 . 1 1 53 53 TYR CB C 53 39.030 39.030 39.696 -0.666 18389 17594 1 20 . 1 1 53 53 TYR H H 53 6.918 6.918 8.249 -1.331 18389 17595 1 20 . 1 1 54 54 TRP N N 54 112.748 112.748 118.807 -6.059 18389 17596 1 20 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.461 -0.082 18389 17597 1 20 . 1 1 54 54 TRP C C 54 171.085 171.085 174.543 -3.458 18389 17598 1 20 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.971 -3.711 18389 17599 1 20 . 1 1 54 54 TRP CB C 54 29.975 29.975 31.945 -1.970 18389 17600 1 20 . 1 1 54 54 TRP H H 54 6.406 6.406 7.779 -1.373 18389 17601 1 20 . 1 1 55 55 GLY N N 55 108.552 108.552 108.434 0.118 18389 17602 1 20 . 1 1 55 55 GLY C C 55 168.023 168.023 171.571 -3.548 18389 17603 1 20 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.126 -1.678 18389 17604 1 20 . 1 1 55 55 GLY H H 55 8.689 8.689 8.640 0.049 18389 17605 1 20 . 1 1 56 56 THR N N 56 113.376 113.376 114.658 -1.282 18389 17606 1 20 . 1 1 56 56 THR HA H 56 5.868 5.868 4.826 1.042 18389 17607 1 20 . 1 1 56 56 THR C C 56 170.376 170.376 172.451 -2.075 18389 17608 1 20 . 1 1 56 56 THR CA C 56 57.238 57.238 61.540 -4.302 18389 17609 1 20 . 1 1 56 56 THR CB C 56 69.053 69.053 70.615 -1.562 18389 17610 1 20 . 1 1 56 56 THR H H 56 9.518 9.518 8.146 1.372 18389 17611 1 20 . 1 1 57 57 VAL N N 57 123.361 123.361 126.331 -2.970 18389 17612 1 20 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.695 0.758 18389 17613 1 20 . 1 1 57 57 VAL C C 57 169.082 169.082 173.729 -4.647 18389 17614 1 20 . 1 1 57 57 VAL CA C 57 56.049 56.049 60.519 -4.470 18389 17615 1 20 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.774 -2.427 18389 17616 1 20 . 1 1 57 57 VAL H H 57 8.956 8.956 8.503 0.453 18389 17617 1 20 . 1 1 58 58 TYR N N 58 131.224 131.224 125.115 6.109 18389 17618 1 20 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.473 0.103 18389 17619 1 20 . 1 1 58 58 TYR C C 58 172.050 172.050 173.171 -1.121 18389 17620 1 20 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.311 -4.729 18389 17621 1 20 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.306 -6.345 18389 17622 1 20 . 1 1 58 58 TYR H H 58 8.641 8.641 8.912 -0.271 18389 17623 1 20 . 1 1 59 59 SER N N 59 123.126 123.126 122.616 0.510 18389 17624 1 20 . 1 1 59 59 SER HA H 59 4.304 4.304 4.740 -0.436 18389 17625 1 20 . 1 1 59 59 SER C C 59 170.891 170.891 173.659 -2.768 18389 17626 1 20 . 1 1 59 59 SER CA C 59 55.452 55.452 56.119 -0.667 18389 17627 1 20 . 1 1 59 59 SER CB C 59 60.048 60.048 63.602 -3.554 18389 17628 1 20 . 1 1 59 59 SER H H 59 8.217 8.217 8.263 -0.046 18389 17629 1 20 . 1 1 60 60 LEU N N 60 126.809 126.809 128.884 -2.075 18389 17630 1 20 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.464 -0.211 18389 17631 1 20 . 1 1 60 60 LEU C C 60 173.994 173.994 176.268 -2.274 18389 17632 1 20 . 1 1 60 60 LEU CA C 60 50.050 50.050 52.787 -2.737 18389 17633 1 20 . 1 1 60 60 LEU CB C 60 39.357 39.357 41.971 -2.614 18389 17634 1 20 . 1 1 60 60 LEU H H 60 7.838 7.838 7.877 -0.039 18389 17635 1 20 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.497 0.076 18389 17636 1 20 . 1 1 61 61 PRO C C 61 173.514 173.514 176.041 -2.527 18389 17637 1 20 . 1 1 61 61 PRO CA C 61 61.252 61.252 63.783 -2.531 18389 17638 1 20 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.472 -3.157 18389 17639 1 20 . 1 1 62 62 ASP N N 62 115.943 115.943 118.745 -2.802 18389 17640 1 20 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.805 0.034 18389 17641 1 20 . 1 1 62 62 ASP C C 62 172.949 172.949 174.968 -2.019 18389 17642 1 20 . 1 1 62 62 ASP CA C 62 50.706 50.706 54.341 -3.635 18389 17643 1 20 . 1 1 62 62 ASP CB C 62 40.031 40.031 43.004 -2.973 18389 17644 1 20 . 1 1 62 62 ASP H H 62 7.018 7.018 8.103 -1.085 18389 17645 1 20 . 1 1 63 63 GLY N N 63 112.680 112.680 111.564 1.116 18389 17646 1 20 . 1 1 63 63 GLY C C 63 170.273 170.273 172.591 -2.318 18389 17647 1 20 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.714 -1.712 18389 17648 1 20 . 1 1 63 63 GLY H H 63 8.417 8.417 8.552 -0.135 18389 17649 1 20 . 1 1 64 64 ASP N N 64 115.221 115.221 121.059 -5.838 18389 17650 1 20 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.924 0.369 18389 17651 1 20 . 1 1 64 64 ASP C C 64 174.354 174.354 175.883 -1.529 18389 17652 1 20 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.742 -2.475 18389 17653 1 20 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.112 -3.772 18389 17654 1 20 . 1 1 64 64 ASP H H 64 7.766 7.766 7.855 -0.089 18389 17655 1 20 . 1 1 65 65 TRP N N 65 130.747 130.747 119.892 10.855 18389 17656 1 20 . 1 1 65 65 TRP HA H 65 5.431 5.431 5.049 0.382 18389 17657 1 20 . 1 1 65 65 TRP C C 65 173.930 173.930 177.348 -3.418 18389 17658 1 20 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.457 -4.413 18389 17659 1 20 . 1 1 65 65 TRP CB C 65 26.607 26.607 28.988 -2.381 18389 17660 1 20 . 1 1 65 65 TRP H H 65 9.687 9.687 7.891 1.796 18389 17661 1 20 . 1 1 66 66 SER N N 66 114.151 114.151 116.076 -1.925 18389 17662 1 20 . 1 1 66 66 SER HA H 66 4.041 4.041 4.164 -0.123 18389 17663 1 20 . 1 1 66 66 SER CA C 66 59.812 59.812 60.677 -0.865 18389 17664 1 20 . 1 1 66 66 SER CB C 66 60.892 60.892 62.514 -1.622 18389 17665 1 20 . 1 1 66 66 SER H H 66 8.568 8.568 8.354 0.214 18389 17666 1 20 . 1 1 70 70 LYS N N 70 117.090 117.090 115.409 1.681 18389 17667 1 20 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.053 0.345 18389 17668 1 20 . 1 1 70 70 LYS C C 70 170.030 170.030 173.908 -3.878 18389 17669 1 20 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.448 -3.589 18389 17670 1 20 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.734 -1.778 18389 17671 1 20 . 1 1 70 70 LYS H H 70 8.308 8.308 7.596 0.712 18389 17672 1 20 . 1 1 71 71 ILE N N 71 118.764 118.764 118.957 -0.193 18389 17673 1 20 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.797 0.417 18389 17674 1 20 . 1 1 71 71 ILE C C 71 169.396 169.396 174.090 -4.694 18389 17675 1 20 . 1 1 71 71 ILE CA C 71 55.333 55.333 58.657 -3.324 18389 17676 1 20 . 1 1 71 71 ILE CB C 71 39.646 39.646 41.480 -1.834 18389 17677 1 20 . 1 1 71 71 ILE H H 71 7.816 7.816 7.896 -0.080 18389 17678 1 20 . 1 1 72 72 SER N N 72 120.952 120.952 115.260 5.692 18389 17679 1 20 . 1 1 72 72 SER HA H 72 5.852 5.852 4.863 0.989 18389 17680 1 20 . 1 1 72 72 SER C C 72 170.208 170.208 172.830 -2.622 18389 17681 1 20 . 1 1 72 72 SER CA C 72 52.457 52.457 56.510 -4.053 18389 17682 1 20 . 1 1 72 72 SER CB C 72 64.125 64.125 66.513 -2.388 18389 17683 1 20 . 1 1 72 72 SER H H 72 9.237 9.237 8.362 0.875 18389 17684 1 20 . 1 1 73 73 PHE N N 73 117.161 117.161 115.769 1.392 18389 17685 1 20 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.271 0.100 18389 17686 1 20 . 1 1 73 73 PHE C C 73 170.381 170.381 174.033 -3.652 18389 17687 1 20 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.670 -1.873 18389 17688 1 20 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.102 -2.530 18389 17689 1 20 . 1 1 73 73 PHE H H 73 8.093 8.093 7.978 0.115 18389 17690 1 20 . 1 1 74 74 ASP N N 74 120.210 120.210 121.808 -1.598 18389 17691 1 20 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.161 0.993 18389 17692 1 20 . 1 1 74 74 ASP C C 74 173.653 173.653 174.796 -1.143 18389 17693 1 20 . 1 1 74 74 ASP CA C 74 50.896 50.896 54.964 -4.068 18389 17694 1 20 . 1 1 74 74 ASP CB C 74 41.487 41.487 41.054 0.433 18389 17695 1 20 . 1 1 74 74 ASP H H 74 8.993 8.993 8.887 0.106 18389 17696 1 20 . 1 1 75 75 ILE N N 75 121.051 121.051 124.148 -3.097 18389 17697 1 20 . 1 1 75 75 ILE HA H 75 6.253 6.253 4.959 1.294 18389 17698 1 20 . 1 1 75 75 ILE C C 75 171.229 171.229 173.305 -2.076 18389 17699 1 20 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.398 -1.877 18389 17700 1 20 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.018 0.503 18389 17701 1 20 . 1 1 75 75 ILE H H 75 9.681 9.681 7.603 2.078 18389 17702 1 20 . 1 1 76 76 LYS N N 76 124.693 124.693 126.074 -1.381 18389 17703 1 20 . 1 1 76 76 LYS HA H 76 4.831 4.831 4.732 0.099 18389 17704 1 20 . 1 1 76 76 LYS C C 76 172.283 172.283 174.103 -1.820 18389 17705 1 20 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.983 -1.581 18389 17706 1 20 . 1 1 76 76 LYS CB C 76 32.722 32.722 34.551 -1.829 18389 17707 1 20 . 1 1 76 76 LYS H H 76 8.454 8.454 7.958 0.496 18389 17708 1 20 . 1 1 77 77 SER N N 77 118.916 118.916 114.477 4.439 18389 17709 1 20 . 1 1 77 77 SER HA H 77 4.816 4.816 4.233 0.583 18389 17710 1 20 . 1 1 77 77 SER C C 77 172.741 172.741 176.123 -3.382 18389 17711 1 20 . 1 1 77 77 SER CA C 77 55.341 55.341 58.800 -3.459 18389 17712 1 20 . 1 1 77 77 SER CB C 77 61.792 61.792 63.982 -2.190 18389 17713 1 20 . 1 1 77 77 SER H H 77 9.236 9.236 8.659 0.577 18389 17714 1 20 . 1 1 78 78 VAL N N 78 120.723 120.723 119.215 1.508 18389 17715 1 20 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.353 -0.019 18389 17716 1 20 . 1 1 78 78 VAL C C 78 172.941 172.941 175.560 -2.619 18389 17717 1 20 . 1 1 78 78 VAL CA C 78 59.795 59.795 62.053 -2.258 18389 17718 1 20 . 1 1 78 78 VAL CB C 78 30.268 30.268 32.334 -2.067 18389 17719 1 20 . 1 1 78 78 VAL H H 78 8.132 8.132 8.293 -0.161 18389 17720 1 20 . 1 1 79 79 ASP N N 79 119.240 119.240 120.247 -1.007 18389 17721 1 20 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.680 0.061 18389 17722 1 20 . 1 1 79 79 ASP C C 79 174.199 174.199 176.957 -2.758 18389 17723 1 20 . 1 1 79 79 ASP CA C 79 51.112 51.112 53.509 -2.397 18389 17724 1 20 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.564 -3.491 18389 17725 1 20 . 1 1 79 79 ASP H H 79 8.190 8.190 7.575 0.615 18389 17726 1 20 . 1 1 80 80 GLY N N 80 108.323 108.323 109.416 -1.093 18389 17727 1 20 . 1 1 80 80 GLY C C 80 171.858 171.858 174.753 -2.895 18389 17728 1 20 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.629 -2.526 18389 17729 1 20 . 1 1 80 80 GLY H H 80 8.275 8.275 8.081 0.194 18389 17730 1 20 . 1 1 81 81 SER N N 81 116.291 116.291 115.324 0.967 18389 17731 1 20 . 1 1 81 81 SER HA H 81 4.588 4.588 4.519 0.069 18389 17732 1 20 . 1 1 81 81 SER C C 81 171.588 171.588 175.156 -3.568 18389 17733 1 20 . 1 1 81 81 SER CA C 81 55.552 55.552 58.282 -2.730 18389 17734 1 20 . 1 1 81 81 SER CB C 81 61.910 61.910 64.322 -2.412 18389 17735 1 20 . 1 1 81 81 SER H H 81 8.201 8.201 7.505 0.696 18389 17736 1 20 . 1 1 82 82 ALA N N 82 128.019 128.019 126.003 2.016 18389 17737 1 20 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.369 0.593 18389 17738 1 20 . 1 1 82 82 ALA C C 82 173.332 173.332 177.292 -3.960 18389 17739 1 20 . 1 1 82 82 ALA CA C 82 49.079 49.079 52.461 -3.382 18389 17740 1 20 . 1 1 82 82 ALA CB C 82 16.570 16.570 19.274 -2.704 18389 17741 1 20 . 1 1 82 82 ALA H H 82 8.613 8.613 8.387 0.226 18389 17742 1 20 . 1 1 83 83 ASN N N 83 119.651 119.651 118.702 0.949 18389 17743 1 20 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.779 0.283 18389 17744 1 20 . 1 1 83 83 ASN C C 83 170.848 170.848 175.293 -4.445 18389 17745 1 20 . 1 1 83 83 ASN CA C 83 50.760 50.760 53.034 -2.274 18389 17746 1 20 . 1 1 83 83 ASN CB C 83 38.789 38.789 38.703 0.086 18389 17747 1 20 . 1 1 83 83 ASN H H 83 8.153 8.153 8.061 0.092 18389 17748 1 20 . 1 1 84 84 GLU N N 84 127.150 127.150 121.183 5.967 18389 17749 1 20 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.432 0.280 18389 17750 1 20 . 1 1 84 84 GLU C C 84 171.647 171.647 175.218 -3.571 18389 17751 1 20 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.088 -1.316 18389 17752 1 20 . 1 1 84 84 GLU CB C 84 28.701 28.701 31.365 -2.664 18389 17753 1 20 . 1 1 84 84 GLU H H 84 8.122 8.122 8.512 -0.390 18389 17754 1 20 . 1 1 85 85 ILE N N 85 117.590 117.590 113.213 4.377 18389 17755 1 20 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.694 -0.061 18389 17756 1 20 . 1 1 85 85 ILE C C 85 171.902 171.902 174.071 -2.169 18389 17757 1 20 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.598 -1.567 18389 17758 1 20 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.370 -1.118 18389 17759 1 20 . 1 1 85 85 ILE H H 85 8.910 8.910 8.174 0.736 18389 17760 1 20 . 1 1 86 86 ARG N N 86 116.697 116.697 118.485 -1.788 18389 17761 1 20 . 1 1 86 86 ARG HA H 86 5.396 5.396 4.935 0.461 18389 17762 1 20 . 1 1 86 86 ARG C C 86 171.787 171.787 174.741 -2.954 18389 17763 1 20 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.606 -1.492 18389 17764 1 20 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.745 -1.683 18389 17765 1 20 . 1 1 86 86 ARG H H 86 9.149 9.149 8.317 0.832 18389 17766 1 20 . 1 1 87 87 PHE N N 87 123.607 123.607 119.433 4.174 18389 17767 1 20 . 1 1 87 87 PHE HA H 87 5.488 5.488 4.863 0.625 18389 17768 1 20 . 1 1 87 87 PHE CA C 87 53.817 53.817 55.110 -1.293 18389 17769 1 20 . 1 1 87 87 PHE CB C 87 40.112 40.112 40.174 -0.062 18389 17770 1 20 . 1 1 87 87 PHE H H 87 9.235 9.235 8.772 0.463 18389 17771 1 20 . 1 1 88 88 MET N N 88 129.893 129.893 118.943 10.950 18389 17772 1 20 . 1 1 88 88 MET HA H 88 5.836 5.836 5.294 0.542 18389 17773 1 20 . 1 1 88 88 MET C C 88 170.768 170.768 173.950 -3.182 18389 17774 1 20 . 1 1 88 88 MET CA C 88 51.118 51.118 54.882 -3.764 18389 17775 1 20 . 1 1 88 88 MET CB C 88 37.224 37.224 37.489 -0.265 18389 17776 1 20 . 1 1 88 88 MET H H 88 8.868 8.868 8.795 0.073 18389 17777 1 20 . 1 1 89 89 ILE N N 89 124.630 124.630 122.288 2.342 18389 17778 1 20 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.242 -0.704 18389 17779 1 20 . 1 1 89 89 ILE C C 89 171.047 171.047 174.076 -3.029 18389 17780 1 20 . 1 1 89 89 ILE CA C 89 57.971 57.971 58.450 -0.479 18389 17781 1 20 . 1 1 89 89 ILE CB C 89 38.920 38.920 42.060 -3.140 18389 17782 1 20 . 1 1 89 89 ILE H H 89 9.258 9.258 9.241 0.017 18389 17783 1 20 . 1 1 90 90 ALA N N 90 128.743 128.743 128.382 0.361 18389 17784 1 20 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.389 0.277 18389 17785 1 20 . 1 1 90 90 ALA C C 90 176.041 176.041 176.396 -0.355 18389 17786 1 20 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.672 -2.851 18389 17787 1 20 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.848 -3.517 18389 17788 1 20 . 1 1 90 90 ALA H H 90 8.749 8.749 9.259 -0.510 18389 17789 1 20 . 1 1 91 91 GLU N N 91 121.616 121.616 125.250 -3.634 18389 17790 1 20 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.728 -0.010 18389 17791 1 20 . 1 1 91 91 GLU C C 91 174.217 174.217 177.225 -3.008 18389 17792 1 20 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.796 -2.653 18389 17793 1 20 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.630 -1.783 18389 17794 1 20 . 1 1 91 91 GLU H H 91 8.749 8.749 9.015 -0.266 18389 17795 1 20 . 1 1 92 92 LYS N N 92 117.975 117.975 122.342 -4.367 18389 17796 1 20 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.274 0.095 18389 17797 1 20 . 1 1 92 92 LYS C C 92 174.743 174.743 176.954 -2.211 18389 17798 1 20 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.828 -2.468 18389 17799 1 20 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.190 -2.534 18389 17800 1 20 . 1 1 92 92 LYS H H 92 8.014 8.014 8.633 -0.619 18389 17801 1 20 . 1 1 93 93 SER N N 93 115.092 115.092 116.940 -1.848 18389 17802 1 20 . 1 1 93 93 SER HA H 93 4.215 4.215 4.441 -0.226 18389 17803 1 20 . 1 1 93 93 SER C C 93 174.964 174.964 176.066 -1.102 18389 17804 1 20 . 1 1 93 93 SER CA C 93 53.874 53.874 58.724 -4.850 18389 17805 1 20 . 1 1 93 93 SER CB C 93 61.736 61.736 63.769 -2.033 18389 17806 1 20 . 1 1 93 93 SER H H 93 8.083 8.083 8.664 -0.581 18389 17807 1 20 . 1 1 94 94 ILE N N 94 121.880 121.880 120.953 0.927 18389 17808 1 20 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.142 0.244 18389 17809 1 20 . 1 1 94 94 ILE C C 94 174.020 174.020 176.375 -2.355 18389 17810 1 20 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.331 -1.986 18389 17811 1 20 . 1 1 94 94 ILE CB C 94 36.001 36.001 38.050 -2.049 18389 17812 1 20 . 1 1 94 94 ILE H H 94 9.150 9.150 8.414 0.736 18389 17813 1 20 . 1 1 95 95 ASN N N 95 117.349 117.349 119.406 -2.057 18389 17814 1 20 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.870 0.185 18389 17815 1 20 . 1 1 95 95 ASN C C 95 173.659 173.659 175.716 -2.057 18389 17816 1 20 . 1 1 95 95 ASN CA C 95 49.387 49.387 52.774 -3.387 18389 17817 1 20 . 1 1 95 95 ASN CB C 95 36.666 36.666 39.532 -2.866 18389 17818 1 20 . 1 1 95 95 ASN H H 95 8.163 8.163 8.101 0.062 18389 17819 1 20 . 1 1 96 96 GLY N N 96 106.957 106.957 108.222 -1.265 18389 17820 1 20 . 1 1 96 96 GLY C C 96 170.704 170.704 173.727 -3.023 18389 17821 1 20 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.409 -2.090 18389 17822 1 20 . 1 1 96 96 GLY H H 96 7.530 7.530 8.255 -0.725 18389 17823 1 20 . 1 1 97 97 VAL N N 97 119.393 119.393 120.141 -0.748 18389 17824 1 20 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.380 -0.026 18389 17825 1 20 . 1 1 97 97 VAL C C 97 173.622 173.622 175.337 -1.715 18389 17826 1 20 . 1 1 97 97 VAL CA C 97 59.142 59.142 60.736 -1.594 18389 17827 1 20 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.838 -3.067 18389 17828 1 20 . 1 1 97 97 VAL H H 97 7.650 7.650 7.260 0.390 18389 17829 1 20 . 1 1 98 98 GLY N N 98 115.075 115.075 114.730 0.345 18389 17830 1 20 . 1 1 98 98 GLY C C 98 170.065 170.065 172.962 -2.897 18389 17831 1 20 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.235 -2.496 18389 17832 1 20 . 1 1 98 98 GLY H H 98 8.712 8.712 8.609 0.103 18389 17833 1 20 . 1 1 99 99 ASP N N 99 119.064 119.064 121.731 -2.667 18389 17834 1 20 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.960 -0.285 18389 17835 1 20 . 1 1 99 99 ASP C C 99 172.502 172.502 176.715 -4.213 18389 17836 1 20 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.404 -2.823 18389 17837 1 20 . 1 1 99 99 ASP CB C 99 39.195 39.195 43.306 -4.111 18389 17838 1 20 . 1 1 99 99 ASP H H 99 8.746 8.746 8.145 0.601 18389 17839 1 20 . 1 1 100 100 GLY N N 100 109.333 109.333 106.858 2.475 18389 17840 1 20 . 1 1 100 100 GLY C C 100 167.638 167.638 173.149 -5.511 18389 17841 1 20 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.307 -5.199 18389 17842 1 20 . 1 1 100 100 GLY H H 100 8.285 8.285 8.830 -0.545 18389 17843 1 20 . 1 1 101 101 GLU N N 101 120.835 120.835 120.801 0.034 18389 17844 1 20 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.713 0.014 18389 17845 1 20 . 1 1 101 101 GLU C C 101 173.652 173.652 173.997 -0.345 18389 17846 1 20 . 1 1 101 101 GLU CA C 101 55.449 55.449 55.348 0.101 18389 17847 1 20 . 1 1 101 101 GLU CB C 101 31.014 31.014 32.420 -1.407 18389 17848 1 20 . 1 1 101 101 GLU H H 101 8.339 8.339 7.496 0.843 18389 17849 1 20 . 1 1 102 102 HIS N N 102 126.597 126.597 125.379 1.218 18389 17850 1 20 . 1 1 102 102 HIS HA H 102 5.406 5.406 4.835 0.571 18389 17851 1 20 . 1 1 102 102 HIS C C 102 174.479 174.479 174.307 0.172 18389 17852 1 20 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.867 -1.955 18389 17853 1 20 . 1 1 102 102 HIS CB C 102 33.756 33.756 30.755 3.002 18389 17854 1 20 . 1 1 102 102 HIS H H 102 10.029 10.029 8.502 1.527 18389 17855 1 20 . 1 1 103 103 TRP N N 103 125.616 125.616 124.050 1.566 18389 17856 1 20 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.527 -0.496 18389 17857 1 20 . 1 1 103 103 TRP C C 103 173.236 173.236 175.126 -1.890 18389 17858 1 20 . 1 1 103 103 TRP CA C 103 54.833 54.833 55.993 -1.160 18389 17859 1 20 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.797 -3.607 18389 17860 1 20 . 1 1 103 103 TRP H H 103 9.242 9.242 9.199 0.043 18389 17861 1 20 . 1 1 104 104 VAL N N 104 114.086 114.086 115.259 -1.173 18389 17862 1 20 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.091 1.042 18389 17863 1 20 . 1 1 104 104 VAL C C 104 173.194 173.194 174.327 -1.133 18389 17864 1 20 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.389 -2.060 18389 17865 1 20 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.543 -0.100 18389 17866 1 20 . 1 1 104 104 VAL H H 104 10.273 10.273 9.209 1.064 18389 17867 1 20 . 1 1 105 105 TYR N N 105 123.278 123.278 121.977 1.301 18389 17868 1 20 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.663 -0.003 18389 17869 1 20 . 1 1 105 105 TYR C C 105 172.030 172.030 176.300 -4.270 18389 17870 1 20 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.159 0.563 18389 17871 1 20 . 1 1 105 105 TYR CB C 105 40.973 40.973 39.863 1.110 18389 17872 1 20 . 1 1 105 105 TYR H H 105 9.219 9.219 8.723 0.496 18389 17873 1 20 . 1 1 106 106 SER N N 106 123.619 123.619 115.202 8.417 18389 17874 1 20 . 1 1 106 106 SER HA H 106 5.226 5.226 4.940 0.286 18389 17875 1 20 . 1 1 106 106 SER C C 106 170.291 170.291 173.681 -3.390 18389 17876 1 20 . 1 1 106 106 SER CA C 106 56.800 56.800 58.561 -1.761 18389 17877 1 20 . 1 1 106 106 SER CB C 106 61.265 61.265 63.954 -2.689 18389 17878 1 20 . 1 1 106 106 SER H H 106 7.768 7.768 8.691 -0.923 18389 17879 1 20 . 1 1 107 107 ILE N N 107 120.192 120.192 124.990 -4.798 18389 17880 1 20 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.749 0.010 18389 17881 1 20 . 1 1 107 107 ILE C C 107 171.471 171.471 174.340 -2.869 18389 17882 1 20 . 1 1 107 107 ILE CA C 107 57.011 57.011 60.247 -3.236 18389 17883 1 20 . 1 1 107 107 ILE CB C 107 39.759 39.759 43.367 -3.608 18389 17884 1 20 . 1 1 107 107 ILE H H 107 8.942 8.942 8.189 0.753 18389 17885 1 20 . 1 1 108 108 THR N N 108 118.723 118.723 113.887 4.836 18389 17886 1 20 . 1 1 108 108 THR HA H 108 5.017 5.017 4.929 0.088 18389 17887 1 20 . 1 1 108 108 THR C C 108 170.359 170.359 172.759 -2.400 18389 17888 1 20 . 1 1 108 108 THR CA C 108 56.686 56.686 58.794 -2.108 18389 17889 1 20 . 1 1 108 108 THR CB C 108 67.488 67.488 69.734 -2.246 18389 17890 1 20 . 1 1 108 108 THR H H 108 8.718 8.718 8.272 0.446 18389 17891 1 20 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.764 -0.354 18389 17892 1 20 . 1 1 109 109 PRO C C 109 171.443 171.443 175.887 -4.444 18389 17893 1 20 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.457 -2.633 18389 17894 1 20 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.497 -3.519 18389 17895 1 20 . 1 1 110 110 ASP N N 110 122.785 122.785 119.251 3.534 18389 17896 1 20 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.871 0.277 18389 17897 1 20 . 1 1 110 110 ASP C C 110 174.113 174.113 176.659 -2.546 18389 17898 1 20 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.457 -3.401 18389 17899 1 20 . 1 1 110 110 ASP CB C 110 40.689 40.689 42.994 -2.305 18389 17900 1 20 . 1 1 110 110 ASP H H 110 9.061 9.061 8.533 0.528 18389 17901 1 20 . 1 1 111 111 SER N N 111 112.595 112.595 112.597 -0.002 18389 17902 1 20 . 1 1 111 111 SER HA H 111 4.432 4.432 4.931 -0.499 18389 17903 1 20 . 1 1 111 111 SER CA C 111 58.333 58.333 57.714 0.619 18389 17904 1 20 . 1 1 111 111 SER CB C 111 61.046 61.046 64.182 -3.136 18389 17905 1 20 . 1 1 111 111 SER H H 111 8.435 8.435 8.483 -0.048 18389 17906 1 20 . 1 1 112 112 SER N N 112 116.615 116.615 117.123 -0.508 18389 17907 1 20 . 1 1 112 112 SER HA H 112 4.862 4.862 4.864 -0.002 18389 17908 1 20 . 1 1 112 112 SER C C 112 170.519 170.519 173.150 -2.631 18389 17909 1 20 . 1 1 112 112 SER CA C 112 54.017 54.017 57.478 -3.461 18389 17910 1 20 . 1 1 112 112 SER CB C 112 62.948 62.948 64.827 -1.879 18389 17911 1 20 . 1 1 112 112 SER H H 112 8.035 8.035 8.185 -0.150 18389 17912 1 20 . 1 1 113 113 TRP N N 113 120.576 120.576 122.123 -1.547 18389 17913 1 20 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.614 -0.060 18389 17914 1 20 . 1 1 113 113 TRP C C 113 174.599 174.599 176.174 -1.575 18389 17915 1 20 . 1 1 113 113 TRP CA C 113 56.882 56.882 56.702 0.180 18389 17916 1 20 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.621 -2.261 18389 17917 1 20 . 1 1 113 113 TRP H H 113 8.318 8.318 8.934 -0.616 18389 17918 1 20 . 1 1 114 114 LYS N N 114 123.372 123.372 122.740 0.632 18389 17919 1 20 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.728 0.166 18389 17920 1 20 . 1 1 114 114 LYS C C 114 172.772 172.772 175.934 -3.162 18389 17921 1 20 . 1 1 114 114 LYS CA C 114 52.948 52.948 54.072 -1.124 18389 17922 1 20 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.723 -1.473 18389 17923 1 20 . 1 1 114 114 LYS H H 114 8.782 8.782 8.633 0.149 18389 17924 1 20 . 1 1 115 115 THR N N 115 120.929 120.929 119.030 1.899 18389 17925 1 20 . 1 1 115 115 THR HA H 115 5.226 5.226 4.478 0.748 18389 17926 1 20 . 1 1 115 115 THR C C 115 171.778 171.778 174.626 -2.848 18389 17927 1 20 . 1 1 115 115 THR CA C 115 59.671 59.671 62.702 -3.031 18389 17928 1 20 . 1 1 115 115 THR CB C 115 66.938 66.938 67.543 -0.605 18389 17929 1 20 . 1 1 115 115 THR H H 115 8.689 8.689 8.571 0.118 18389 17930 1 20 . 1 1 116 116 ILE N N 116 131.929 131.929 126.863 5.066 18389 17931 1 20 . 1 1 116 116 ILE HA H 116 4.184 4.184 3.930 0.254 18389 17932 1 20 . 1 1 116 116 ILE C C 116 171.012 171.012 175.406 -4.394 18389 17933 1 20 . 1 1 116 116 ILE CA C 116 56.357 56.357 61.593 -5.236 18389 17934 1 20 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.267 -2.936 18389 17935 1 20 . 1 1 116 116 ILE H H 116 9.470 9.470 8.572 0.898 18389 17936 1 20 . 1 1 117 117 GLU N N 117 124.514 124.514 129.093 -4.579 18389 17937 1 20 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.272 0.598 18389 17938 1 20 . 1 1 117 117 GLU C C 117 173.332 173.332 175.805 -2.473 18389 17939 1 20 . 1 1 117 117 GLU CA C 117 51.798 51.798 56.359 -4.561 18389 17940 1 20 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.779 -0.086 18389 17941 1 20 . 1 1 117 117 GLU H H 117 8.089 8.089 8.310 -0.221 18389 17942 1 20 . 1 1 118 118 ILE N N 118 125.005 125.005 124.896 0.109 18389 17943 1 20 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.235 0.188 18389 17944 1 20 . 1 1 118 118 ILE C C 118 171.765 171.765 174.913 -3.148 18389 17945 1 20 . 1 1 118 118 ILE CA C 118 55.640 55.640 57.138 -1.498 18389 17946 1 20 . 1 1 118 118 ILE CB C 118 37.429 37.429 37.867 -0.438 18389 17947 1 20 . 1 1 118 118 ILE H H 118 9.322 9.322 7.836 1.486 18389 17948 1 20 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.427 0.410 18389 17949 1 20 . 1 1 119 119 PRO C C 119 176.780 176.780 177.294 -0.514 18389 17950 1 20 . 1 1 119 119 PRO CA C 119 59.404 59.404 63.003 -3.599 18389 17951 1 20 . 1 1 119 119 PRO CB C 119 29.065 29.065 30.342 -1.277 18389 17952 1 20 . 1 1 120 120 PHE N N 120 124.627 124.627 119.844 4.783 18389 17953 1 20 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.008 0.986 18389 17954 1 20 . 1 1 120 120 PHE C C 120 175.402 175.402 175.455 -0.053 18389 17955 1 20 . 1 1 120 120 PHE CA C 120 59.272 59.272 61.654 -2.382 18389 17956 1 20 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.596 -2.350 18389 17957 1 20 . 1 1 120 120 PHE H H 120 8.160 8.160 8.371 -0.211 18389 17958 1 20 . 1 1 121 121 SER N N 121 110.551 110.551 112.364 -1.813 18389 17959 1 20 . 1 1 121 121 SER HA H 121 4.647 4.647 4.062 0.585 18389 17960 1 20 . 1 1 121 121 SER C C 121 173.187 173.187 172.531 0.656 18389 17961 1 20 . 1 1 121 121 SER CA C 121 57.359 57.359 58.532 -1.173 18389 17962 1 20 . 1 1 121 121 SER CB C 121 60.639 60.639 64.500 -3.861 18389 17963 1 20 . 1 1 121 121 SER H H 121 8.367 8.367 8.066 0.301 18389 17964 1 20 . 1 1 122 122 SER N N 122 117.166 117.166 115.156 2.010 18389 17965 1 20 . 1 1 122 122 SER HA H 122 4.946 4.946 3.936 1.010 18389 17966 1 20 . 1 1 122 122 SER C C 122 172.296 172.296 173.655 -1.359 18389 17967 1 20 . 1 1 122 122 SER CA C 122 57.525 57.525 58.861 -1.336 18389 17968 1 20 . 1 1 122 122 SER CB C 122 61.716 61.716 62.292 -0.577 18389 17969 1 20 . 1 1 122 122 SER H H 122 8.537 8.537 8.078 0.459 18389 17970 1 20 . 1 1 123 123 PHE N N 123 119.840 119.840 119.954 -0.114 18389 17971 1 20 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.640 0.007 18389 17972 1 20 . 1 1 123 123 PHE C C 123 173.527 173.527 176.452 -2.925 18389 17973 1 20 . 1 1 123 123 PHE CA C 123 58.778 58.778 59.856 -1.078 18389 17974 1 20 . 1 1 123 123 PHE CB C 123 38.547 38.547 38.809 -0.262 18389 17975 1 20 . 1 1 123 123 PHE H H 123 7.807 7.807 8.359 -0.552 18389 17976 1 20 . 1 1 124 124 ARG N N 124 120.098 120.098 124.673 -4.575 18389 17977 1 20 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.046 0.295 18389 17978 1 20 . 1 1 124 124 ARG C C 124 172.631 172.631 174.567 -1.936 18389 17979 1 20 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.533 -3.208 18389 17980 1 20 . 1 1 124 124 ARG CB C 124 30.721 30.721 34.934 -4.213 18389 17981 1 20 . 1 1 124 124 ARG H H 124 9.297 9.297 8.608 0.689 18389 17982 1 20 . 1 1 125 125 ARG N N 125 126.739 126.739 121.154 5.585 18389 17983 1 20 . 1 1 125 125 ARG HA H 125 2.962 2.962 5.010 -2.048 18389 17984 1 20 . 1 1 125 125 ARG C C 125 174.319 174.319 175.890 -1.571 18389 17985 1 20 . 1 1 125 125 ARG CA C 125 55.036 55.036 53.994 1.042 18389 17986 1 20 . 1 1 125 125 ARG CB C 125 27.348 27.348 31.486 -4.138 18389 17987 1 20 . 1 1 125 125 ARG H H 125 8.611 8.611 8.530 0.081 18389 17988 1 20 . 1 1 126 126 ARG N N 126 126.556 126.556 123.182 3.374 18389 17989 1 20 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.177 -0.213 18389 17990 1 20 . 1 1 126 126 ARG C C 126 174.021 174.021 175.946 -1.925 18389 17991 1 20 . 1 1 126 126 ARG CA C 126 55.538 55.538 56.327 -0.789 18389 17992 1 20 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.450 -0.711 18389 17993 1 20 . 1 1 126 126 ARG H H 126 7.917 7.917 8.258 -0.341 18389 17994 1 20 . 1 1 127 127 LEU N N 127 124.550 124.550 114.122 10.428 18389 17995 1 20 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.614 0.040 18389 17996 1 20 . 1 1 127 127 LEU C C 127 175.775 175.775 176.253 -0.478 18389 17997 1 20 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.044 -1.836 18389 17998 1 20 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.828 -1.450 18389 17999 1 20 . 1 1 127 127 LEU H H 127 8.817 8.817 8.071 0.746 18389 18000 1 20 . 1 1 128 128 ASP N N 128 116.209 116.209 118.414 -2.205 18389 18001 1 20 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.673 -0.124 18389 18002 1 20 . 1 1 128 128 ASP C C 128 172.491 172.491 176.284 -3.793 18389 18003 1 20 . 1 1 128 128 ASP CA C 128 52.492 52.492 53.997 -1.505 18389 18004 1 20 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.850 -5.268 18389 18005 1 20 . 1 1 128 128 ASP H H 128 9.072 9.072 8.282 0.790 18389 18006 1 20 . 1 1 129 129 TYR N N 129 119.329 119.329 123.461 -4.132 18389 18007 1 20 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.855 -0.502 18389 18008 1 20 . 1 1 129 129 TYR C C 129 169.992 169.992 174.058 -4.066 18389 18009 1 20 . 1 1 129 129 TYR CA C 129 56.345 56.345 56.491 -0.146 18389 18010 1 20 . 1 1 129 129 TYR CB C 129 38.447 38.447 37.443 1.004 18389 18011 1 20 . 1 1 129 129 TYR H H 129 7.002 7.002 8.002 -1.000 18389 18012 1 20 . 1 1 130 130 GLN N N 130 121.469 121.469 125.718 -4.249 18389 18013 1 20 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.372 -0.463 18389 18014 1 20 . 1 1 130 130 GLN C C 130 170.223 170.223 173.772 -3.549 18389 18015 1 20 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.842 -3.053 18389 18016 1 20 . 1 1 130 130 GLN CB C 130 29.625 29.625 31.187 -1.562 18389 18017 1 20 . 1 1 130 130 GLN H H 130 6.288 6.288 8.181 -1.893 18389 18018 1 20 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.408 0.002 18389 18019 1 20 . 1 1 132 132 PRO C C 132 175.720 175.720 177.807 -2.087 18389 18020 1 20 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.764 -1.691 18389 18021 1 20 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.305 -3.190 18389 18022 1 20 . 1 1 133 133 GLY N N 133 104.558 104.558 110.216 -5.658 18389 18023 1 20 . 1 1 133 133 GLY C C 133 171.229 171.229 173.114 -1.885 18389 18024 1 20 . 1 1 133 133 GLY CA C 133 42.515 42.515 43.982 -1.467 18389 18025 1 20 . 1 1 133 133 GLY H H 133 8.298 8.298 8.719 -0.421 18389 18026 1 20 . 1 1 134 134 GLN N N 134 116.684 116.684 120.865 -4.181 18389 18027 1 20 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.429 -0.062 18389 18028 1 20 . 1 1 134 134 GLN C C 134 172.815 172.815 175.084 -2.269 18389 18029 1 20 . 1 1 134 134 GLN CA C 134 53.804 53.804 54.103 -0.299 18389 18030 1 20 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.263 -4.397 18389 18031 1 20 . 1 1 134 134 GLN H H 134 7.273 7.273 7.388 -0.115 18389 18032 1 20 . 1 1 135 135 ASP N N 135 118.688 118.688 123.923 -5.235 18389 18033 1 20 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.577 -0.215 18389 18034 1 20 . 1 1 135 135 ASP C C 135 174.301 174.301 175.168 -0.867 18389 18035 1 20 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.452 -2.642 18389 18036 1 20 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.630 -4.726 18389 18037 1 20 . 1 1 135 135 ASP H H 135 8.844 8.844 8.369 0.475 18389 18038 1 20 . 1 1 136 136 MET N N 136 114.721 114.721 124.916 -10.195 18389 18039 1 20 . 1 1 136 136 MET HA H 136 4.035 4.035 4.627 -0.592 18389 18040 1 20 . 1 1 136 136 MET C C 136 174.252 174.252 176.560 -2.308 18389 18041 1 20 . 1 1 136 136 MET CA C 136 54.461 54.461 53.282 1.179 18389 18042 1 20 . 1 1 136 136 MET CB C 136 29.439 29.439 32.727 -3.288 18389 18043 1 20 . 1 1 136 136 MET H H 136 7.585 7.585 8.645 -1.060 18389 18044 1 20 . 1 1 137 137 SER N N 137 118.130 118.130 114.890 3.240 18389 18045 1 20 . 1 1 137 137 SER HA H 137 4.392 4.392 4.377 0.015 18389 18046 1 20 . 1 1 137 137 SER C C 137 174.811 174.811 176.221 -1.410 18389 18047 1 20 . 1 1 137 137 SER CA C 137 57.841 57.841 59.207 -1.366 18389 18048 1 20 . 1 1 137 137 SER CB C 137 62.369 62.369 63.721 -1.352 18389 18049 1 20 . 1 1 137 137 SER H H 137 9.140 9.140 8.084 1.056 18389 18050 1 20 . 1 1 138 138 GLY N N 138 114.534 114.534 111.788 2.746 18389 18051 1 20 . 1 1 138 138 GLY C C 138 170.903 170.903 173.793 -2.890 18389 18052 1 20 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.764 -1.567 18389 18053 1 20 . 1 1 138 138 GLY H H 138 10.549 10.549 8.704 1.845 18389 18054 1 20 . 1 1 139 139 THR N N 139 112.564 112.564 114.169 -1.605 18389 18055 1 20 . 1 1 139 139 THR HA H 139 4.538 4.538 4.703 -0.165 18389 18056 1 20 . 1 1 139 139 THR C C 139 168.086 168.086 173.313 -5.227 18389 18057 1 20 . 1 1 139 139 THR CA C 139 57.132 57.132 59.876 -2.744 18389 18058 1 20 . 1 1 139 139 THR CB C 139 68.854 68.854 70.870 -2.016 18389 18059 1 20 . 1 1 139 139 THR H H 139 8.504 8.504 7.603 0.901 18389 18060 1 20 . 1 1 140 140 LEU N N 140 129.971 129.971 120.408 9.563 18389 18061 1 20 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.282 -0.511 18389 18062 1 20 . 1 1 140 140 LEU C C 140 172.175 172.175 175.565 -3.390 18389 18063 1 20 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.976 -2.641 18389 18064 1 20 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.691 -5.819 18389 18065 1 20 . 1 1 140 140 LEU H H 140 7.900 7.900 8.019 -0.119 18389 18066 1 20 . 1 1 141 141 ASP N N 141 132.200 132.200 122.978 9.222 18389 18067 1 20 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.754 -0.050 18389 18068 1 20 . 1 1 141 141 ASP C C 141 172.137 172.137 176.177 -4.040 18389 18069 1 20 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.472 -1.780 18389 18070 1 20 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.656 -3.095 18389 18071 1 20 . 1 1 141 141 ASP H H 141 9.101 9.101 8.146 0.955 18389 18072 1 20 . 1 1 142 142 LEU N N 142 122.667 122.667 122.750 -0.083 18389 18073 1 20 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.659 0.081 18389 18074 1 20 . 1 1 142 142 LEU CA C 142 53.747 53.747 56.696 -2.949 18389 18075 1 20 . 1 1 142 142 LEU CB C 142 39.898 39.898 41.419 -1.521 18389 18076 1 20 . 1 1 142 142 LEU H H 142 7.799 7.799 8.378 -0.579 18389 18077 1 20 . 1 1 143 143 ASP N N 143 112.789 112.789 118.867 -6.078 18389 18078 1 20 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.387 0.529 18389 18079 1 20 . 1 1 143 143 ASP C C 143 173.547 173.547 175.921 -2.374 18389 18080 1 20 . 1 1 143 143 ASP CA C 143 51.101 51.101 56.296 -5.195 18389 18081 1 20 . 1 1 143 143 ASP CB C 143 37.298 37.298 40.705 -3.407 18389 18082 1 20 . 1 1 143 143 ASP H H 143 8.473 8.473 8.323 0.150 18389 18083 1 20 . 1 1 144 144 ASN N N 144 120.743 120.743 116.094 4.649 18389 18084 1 20 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.748 0.331 18389 18085 1 20 . 1 1 144 144 ASN C C 144 171.278 171.278 173.227 -1.949 18389 18086 1 20 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.252 -2.777 18389 18087 1 20 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.791 -1.613 18389 18088 1 20 . 1 1 144 144 ASN H H 144 7.867 7.867 7.521 0.346 18389 18089 1 20 . 1 1 145 145 ILE N N 145 122.844 122.844 121.227 1.617 18389 18090 1 20 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.532 -0.692 18389 18091 1 20 . 1 1 145 145 ILE C C 145 172.420 172.420 175.397 -2.977 18389 18092 1 20 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.654 -1.793 18389 18093 1 20 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.484 -4.077 18389 18094 1 20 . 1 1 145 145 ILE H H 145 8.770 8.770 8.204 0.566 18389 18095 1 20 . 1 1 146 146 ASP N N 146 125.428 125.428 126.778 -1.350 18389 18096 1 20 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.617 0.036 18389 18097 1 20 . 1 1 146 146 ASP C C 146 172.931 172.931 175.544 -2.613 18389 18098 1 20 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.678 -2.326 18389 18099 1 20 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.907 0.005 18389 18100 1 20 . 1 1 146 146 ASP H H 146 9.355 9.355 9.141 0.214 18389 18101 1 20 . 1 1 147 147 SER N N 147 108.442 108.442 111.066 -2.624 18389 18102 1 20 . 1 1 147 147 SER HA H 147 5.054 5.054 5.270 -0.216 18389 18103 1 20 . 1 1 147 147 SER C C 147 169.957 169.957 172.640 -2.683 18389 18104 1 20 . 1 1 147 147 SER CA C 147 54.584 54.584 57.208 -2.624 18389 18105 1 20 . 1 1 147 147 SER CB C 147 62.518 62.518 66.455 -3.937 18389 18106 1 20 . 1 1 147 147 SER H H 147 7.927 7.927 7.612 0.315 18389 18107 1 20 . 1 1 148 148 ILE N N 148 110.150 110.150 114.684 -4.534 18389 18108 1 20 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.363 0.286 18389 18109 1 20 . 1 1 148 148 ILE C C 148 171.932 171.932 174.268 -2.336 18389 18110 1 20 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.119 -2.497 18389 18111 1 20 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.726 -3.013 18389 18112 1 20 . 1 1 148 148 ILE H H 148 8.043 8.043 8.878 -0.835 18389 18113 1 20 . 1 1 149 149 HIS N N 149 118.612 118.612 119.118 -0.506 18389 18114 1 20 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.454 1.036 18389 18115 1 20 . 1 1 149 149 HIS C C 149 174.287 174.287 173.929 0.358 18389 18116 1 20 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.813 -2.911 18389 18117 1 20 . 1 1 149 149 HIS CB C 149 33.959 33.959 35.184 -1.225 18389 18118 1 20 . 1 1 149 149 HIS H H 149 9.331 9.331 8.982 0.349 18389 18119 1 20 . 1 1 150 150 PHE N N 150 117.037 117.037 119.781 -2.744 18389 18120 1 20 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.937 0.593 18389 18121 1 20 . 1 1 150 150 PHE C C 150 172.808 172.808 174.512 -1.704 18389 18122 1 20 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.309 -0.806 18389 18123 1 20 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.916 -2.636 18389 18124 1 20 . 1 1 150 150 PHE H H 150 8.788 8.788 8.120 0.668 18389 18125 1 20 . 1 1 151 151 MET N N 151 119.781 119.781 118.506 1.275 18389 18126 1 20 . 1 1 151 151 MET HA H 151 4.664 4.664 4.783 -0.119 18389 18127 1 20 . 1 1 151 151 MET C C 151 170.282 170.282 174.290 -4.008 18389 18128 1 20 . 1 1 151 151 MET CA C 151 52.146 52.146 54.144 -1.998 18389 18129 1 20 . 1 1 151 151 MET CB C 151 34.947 34.947 37.842 -2.895 18389 18130 1 20 . 1 1 151 151 MET H H 151 9.761 9.761 8.960 0.801 18389 18131 1 20 . 1 1 152 152 TYR N N 152 117.149 117.149 118.808 -1.659 18389 18132 1 20 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.913 -0.837 18389 18133 1 20 . 1 1 152 152 TYR C C 152 171.554 171.554 174.761 -3.207 18389 18134 1 20 . 1 1 152 152 TYR CA C 152 55.345 55.345 57.233 -1.888 18389 18135 1 20 . 1 1 152 152 TYR CB C 152 36.904 36.904 38.901 -1.997 18389 18136 1 20 . 1 1 152 152 TYR H H 152 6.275 6.275 8.403 -2.128 18389 18137 1 20 . 1 1 153 153 ALA N N 153 121.523 121.523 123.368 -1.845 18389 18138 1 20 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.670 -0.507 18389 18139 1 20 . 1 1 153 153 ALA C C 153 173.777 173.777 175.863 -2.086 18389 18140 1 20 . 1 1 153 153 ALA CA C 153 49.185 49.185 51.903 -2.718 18389 18141 1 20 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.889 0.076 18389 18142 1 20 . 1 1 153 153 ALA H H 153 10.019 10.019 8.611 1.408 18389 18143 1 20 . 1 1 154 154 ASN N N 154 114.643 114.643 116.669 -2.026 18389 18144 1 20 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.924 0.260 18389 18145 1 20 . 1 1 154 154 ASN C C 154 173.267 173.267 173.401 -0.134 18389 18146 1 20 . 1 1 154 154 ASN CA C 154 49.915 49.915 53.150 -3.235 18389 18147 1 20 . 1 1 154 154 ASN CB C 154 36.713 36.713 39.765 -3.052 18389 18148 1 20 . 1 1 154 154 ASN H H 154 8.141 8.141 8.166 -0.026 18389 18149 1 20 . 1 1 156 156 LYS N N 156 119.099 119.099 121.597 -2.498 18389 18150 1 20 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.137 0.601 18389 18151 1 20 . 1 1 156 156 LYS C C 156 173.965 173.965 176.050 -2.085 18389 18152 1 20 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.320 -2.448 18389 18153 1 20 . 1 1 156 156 LYS CB C 156 30.426 30.426 32.780 -2.354 18389 18154 1 20 . 1 1 156 156 LYS H H 156 8.298 8.298 8.059 0.239 18389 18155 1 20 . 1 1 157 157 SER N N 157 115.584 115.584 116.847 -1.263 18389 18156 1 20 . 1 1 157 157 SER HA H 157 5.055 5.055 3.794 1.261 18389 18157 1 20 . 1 1 157 157 SER C C 157 169.925 169.925 174.255 -4.330 18389 18158 1 20 . 1 1 157 157 SER CA C 157 55.617 55.617 58.925 -3.308 18389 18159 1 20 . 1 1 157 157 SER CB C 157 63.180 63.180 63.446 -0.266 18389 18160 1 20 . 1 1 157 157 SER H H 157 8.240 8.240 8.174 0.066 18389 18161 1 20 . 1 1 158 158 GLY N N 158 108.219 108.219 111.728 -3.509 18389 18162 1 20 . 1 1 158 158 GLY C C 158 168.322 168.322 171.792 -3.470 18389 18163 1 20 . 1 1 158 158 GLY CA C 158 43.565 43.565 44.831 -1.266 18389 18164 1 20 . 1 1 158 158 GLY H H 158 6.942 6.942 8.191 -1.249 18389 18165 1 20 . 1 1 159 159 LYS N N 159 116.608 116.608 120.611 -4.003 18389 18166 1 20 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.301 0.220 18389 18167 1 20 . 1 1 159 159 LYS C C 159 172.966 172.966 174.688 -1.722 18389 18168 1 20 . 1 1 159 159 LYS CA C 159 53.141 53.141 55.160 -2.019 18389 18169 1 20 . 1 1 159 159 LYS CB C 159 34.705 34.705 35.812 -1.107 18389 18170 1 20 . 1 1 159 159 LYS H H 159 7.925 7.925 7.844 0.081 18389 18171 1 20 . 1 1 160 160 PHE N N 160 121.804 121.804 121.134 0.670 18389 18172 1 20 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.002 0.523 18389 18173 1 20 . 1 1 160 160 PHE C C 160 168.125 168.125 173.545 -5.420 18389 18174 1 20 . 1 1 160 160 PHE CA C 160 53.315 53.315 57.041 -3.726 18389 18175 1 20 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.640 -4.589 18389 18176 1 20 . 1 1 160 160 PHE H H 160 8.834 8.834 9.050 -0.216 18389 18177 1 20 . 1 1 161 161 VAL N N 161 119.787 119.787 117.025 2.762 18389 18178 1 20 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.023 0.355 18389 18179 1 20 . 1 1 161 161 VAL C C 161 170.736 170.736 174.973 -4.237 18389 18180 1 20 . 1 1 161 161 VAL CA C 161 56.656 56.656 59.730 -3.074 18389 18181 1 20 . 1 1 161 161 VAL CB C 161 31.937 31.937 33.629 -1.692 18389 18182 1 20 . 1 1 161 161 VAL H H 161 9.277 9.277 8.369 0.908 18389 18183 1 20 . 1 1 162 162 VAL N N 162 121.357 121.357 115.680 5.677 18389 18184 1 20 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.067 0.900 18389 18185 1 20 . 1 1 162 162 VAL C C 162 170.928 170.928 174.350 -3.422 18389 18186 1 20 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.403 -3.717 18389 18187 1 20 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.944 -2.102 18389 18188 1 20 . 1 1 162 162 VAL H H 162 8.453 8.453 8.767 -0.314 18389 18189 1 20 . 1 1 163 163 ASP N N 163 119.088 119.088 122.482 -3.394 18389 18190 1 20 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.323 0.256 18389 18191 1 20 . 1 1 163 163 ASP C C 163 172.563 172.563 175.394 -2.831 18389 18192 1 20 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.676 -3.195 18389 18193 1 20 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.243 -2.780 18389 18194 1 20 . 1 1 163 163 ASP H H 163 9.233 9.233 8.115 1.118 18389 18195 1 20 . 1 1 164 164 ASN N N 164 117.316 117.316 116.963 0.353 18389 18196 1 20 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.578 0.071 18389 18197 1 20 . 1 1 164 164 ASN C C 164 170.940 170.940 174.572 -3.632 18389 18198 1 20 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.315 -1.643 18389 18199 1 20 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.651 -2.256 18389 18200 1 20 . 1 1 164 164 ASN H H 164 9.864 9.864 8.855 1.009 18389 18201 1 20 . 1 1 165 165 ILE N N 165 118.660 118.660 120.371 -1.711 18389 18202 1 20 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.579 0.860 18389 18203 1 20 . 1 1 165 165 ILE C C 165 173.336 173.336 175.150 -1.814 18389 18204 1 20 . 1 1 165 165 ILE CA C 165 59.155 59.155 62.066 -2.912 18389 18205 1 20 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.596 -2.409 18389 18206 1 20 . 1 1 165 165 ILE H H 165 8.716 8.716 7.648 1.068 18389 18207 1 20 . 1 1 166 166 LYS N N 166 127.896 127.896 125.714 2.182 18389 18208 1 20 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.155 0.023 18389 18209 1 20 . 1 1 166 166 LYS C C 166 170.453 170.453 174.451 -3.998 18389 18210 1 20 . 1 1 166 166 LYS CA C 166 52.524 52.524 53.943 -1.419 18389 18211 1 20 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.907 -1.661 18389 18212 1 20 . 1 1 166 166 LYS H H 166 9.921 9.921 8.871 1.050 18389 18213 1 20 . 1 1 167 167 LEU N N 167 120.747 120.747 121.203 -0.456 18389 18214 1 20 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.882 -0.046 18389 18215 1 20 . 1 1 167 167 LEU C C 167 173.703 173.703 175.077 -1.374 18389 18216 1 20 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.129 -2.550 18389 18217 1 20 . 1 1 167 167 LEU CB C 167 40.711 40.711 44.886 -4.176 18389 18218 1 20 . 1 1 167 167 LEU H H 167 8.552 8.552 8.626 -0.074 18389 18219 1 20 . 1 1 168 168 ILE N N 168 116.914 116.914 119.744 -2.830 18389 18220 1 20 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.895 0.094 18389 18221 1 20 . 1 1 168 168 ILE C C 168 173.923 173.923 176.161 -2.238 18389 18222 1 20 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.362 -0.986 18389 18223 1 20 . 1 1 168 168 ILE CB C 168 38.938 38.938 39.919 -0.981 18389 18224 1 20 . 1 1 168 168 ILE H H 168 8.523 8.523 8.796 -0.273 18389 18225 1 20 . 1 1 169 169 GLY N N 169 114.527 114.527 112.937 1.590 18389 18226 1 20 . 1 1 169 169 GLY C C 169 169.252 169.252 172.811 -3.559 18389 18227 1 20 . 1 1 169 169 GLY CA C 169 42.925 42.925 43.765 -0.840 18389 18228 1 20 . 1 1 169 169 GLY H H 169 8.942 8.942 9.049 -0.107 18389 18229 1 20 . 1 1 170 170 ALA N N 170 123.678 123.678 120.728 2.950 18389 18230 1 20 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.557 -0.133 18389 18231 1 20 . 1 1 170 170 ALA C C 170 174.985 174.985 176.678 -1.693 18389 18232 1 20 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.634 -2.290 18389 18233 1 20 . 1 1 170 170 ALA CB C 170 17.087 17.087 21.192 -4.105 18389 18234 1 20 . 1 1 170 170 ALA H H 170 8.321 8.321 8.295 0.026 18389 18235 1 20 . 1 1 171 171 LEU N N 171 122.139 122.139 123.179 -1.040 18389 18236 1 20 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.687 -0.282 18389 18237 1 20 . 1 1 171 171 LEU C C 171 174.478 174.478 176.153 -1.675 18389 18238 1 20 . 1 1 171 171 LEU CA C 171 52.634 52.634 55.485 -2.851 18389 18239 1 20 . 1 1 171 171 LEU CB C 171 40.111 40.111 41.622 -1.511 18389 18240 1 20 . 1 1 171 171 LEU H H 171 8.182 8.182 8.391 -0.209 18389 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 157 3.775 0.104 3.785 18389 2 1 1 "Average Difference" HA 179 0.449 -0.108 0.437 18389 3 1 1 "Average Difference" C 156 2.796 2.569 1.106 18389 4 1 1 "Average Difference" CA 160 2.697 2.425 1.183 18389 5 1 1 "Average Difference" CB 141 2.799 2.406 1.435 18389 6 1 1 "Average Difference" HN 157 0.744 -0.119 0.737 18389 7 1 2 "Average Difference" N 157 3.444 0.011 3.455 18389 8 1 2 "Average Difference" HA 179 0.461 -0.124 0.445 18389 9 1 2 "Average Difference" C 156 2.835 2.607 1.118 18389 10 1 2 "Average Difference" CA 160 2.656 2.386 1.169 18389 11 1 2 "Average Difference" CB 141 2.854 2.429 1.504 18389 12 1 2 "Average Difference" HN 157 0.688 -0.161 0.672 18389 13 1 3 "Average Difference" N 157 3.310 0.115 3.318 18389 14 1 3 "Average Difference" HA 179 0.478 -0.077 0.473 18389 15 1 3 "Average Difference" C 156 2.847 2.613 1.133 18389 16 1 3 "Average Difference" CA 160 2.726 2.389 1.317 18389 17 1 3 "Average Difference" CB 141 2.885 2.434 1.556 18389 18 1 3 "Average Difference" HN 157 0.711 -0.155 0.697 18389 19 1 4 "Average Difference" N 157 3.577 -0.075 3.588 18389 20 1 4 "Average Difference" HA 179 0.485 -0.106 0.474 18389 21 1 4 "Average Difference" C 156 2.796 2.579 1.082 18389 22 1 4 "Average Difference" CA 160 2.701 2.410 1.223 18389 23 1 4 "Average Difference" CB 141 2.859 2.526 1.345 18389 24 1 4 "Average Difference" HN 157 0.686 -0.149 0.672 18389 25 1 5 "Average Difference" N 157 3.770 0.328 3.768 18389 26 1 5 "Average Difference" HA 179 0.508 -0.074 0.504 18389 27 1 5 "Average Difference" C 156 2.896 2.616 1.245 18389 28 1 5 "Average Difference" CA 160 2.786 2.471 1.291 18389 29 1 5 "Average Difference" CB 141 2.945 2.538 1.498 18389 30 1 5 "Average Difference" HN 157 0.700 -0.136 0.688 18389 31 1 6 "Average Difference" N 157 3.546 0.208 3.551 18389 32 1 6 "Average Difference" HA 179 0.419 -0.112 0.405 18389 33 1 6 "Average Difference" C 156 2.813 2.554 1.183 18389 34 1 6 "Average Difference" CA 160 2.643 2.365 1.184 18389 35 1 6 "Average Difference" CB 141 2.887 2.425 1.571 18389 36 1 6 "Average Difference" HN 157 0.683 -0.175 0.663 18389 37 1 7 "Average Difference" N 157 3.390 0.262 3.391 18389 38 1 7 "Average Difference" HA 179 0.460 -0.133 0.441 18389 39 1 7 "Average Difference" C 156 2.757 2.538 1.079 18389 40 1 7 "Average Difference" CA 160 2.683 2.407 1.189 18389 41 1 7 "Average Difference" CB 141 2.732 2.339 1.417 18389 42 1 7 "Average Difference" HN 157 0.650 -0.183 0.626 18389 43 1 8 "Average Difference" N 157 3.836 0.164 3.845 18389 44 1 8 "Average Difference" HA 179 0.452 -0.097 0.443 18389 45 1 8 "Average Difference" C 156 2.825 2.579 1.157 18389 46 1 8 "Average Difference" CA 160 2.722 2.450 1.191 18389 47 1 8 "Average Difference" CB 141 2.821 2.418 1.457 18389 48 1 8 "Average Difference" HN 157 0.691 -0.148 0.677 18389 49 1 9 "Average Difference" N 157 3.697 0.218 3.702 18389 50 1 9 "Average Difference" HA 179 0.485 -0.126 0.470 18389 51 1 9 "Average Difference" C 156 2.839 2.567 1.218 18389 52 1 9 "Average Difference" CA 160 2.721 2.399 1.287 18389 53 1 9 "Average Difference" CB 141 2.918 2.422 1.634 18389 54 1 9 "Average Difference" HN 157 0.715 -0.190 0.691 18389 55 1 10 "Average Difference" N 157 3.416 0.236 3.419 18389 56 1 10 "Average Difference" HA 179 0.492 -0.120 0.479 18389 57 1 10 "Average Difference" C 156 2.862 2.625 1.145 18389 58 1 10 "Average Difference" CA 160 2.643 2.332 1.247 18389 59 1 10 "Average Difference" CB 141 2.838 2.351 1.595 18389 60 1 10 "Average Difference" HN 157 0.712 -0.159 0.696 18389 61 1 11 "Average Difference" N 157 3.442 0.115 3.451 18389 62 1 11 "Average Difference" HA 179 0.446 -0.132 0.427 18389 63 1 11 "Average Difference" C 156 2.822 2.596 1.110 18389 64 1 11 "Average Difference" CA 160 2.738 2.489 1.144 18389 65 1 11 "Average Difference" CB 141 2.786 2.382 1.449 18389 66 1 11 "Average Difference" HN 157 0.702 -0.166 0.685 18389 67 1 12 "Average Difference" N 157 3.562 -0.162 3.570 18389 68 1 12 "Average Difference" HA 179 0.453 -0.093 0.445 18389 69 1 12 "Average Difference" C 156 2.840 2.628 1.080 18389 70 1 12 "Average Difference" CA 160 2.684 2.418 1.170 18389 71 1 12 "Average Difference" CB 141 2.872 2.433 1.531 18389 72 1 12 "Average Difference" HN 157 0.650 -0.145 0.636 18389 73 1 13 "Average Difference" N 157 3.517 0.017 3.528 18389 74 1 13 "Average Difference" HA 179 0.473 -0.132 0.455 18389 75 1 13 "Average Difference" C 156 2.849 2.596 1.179 18389 76 1 13 "Average Difference" CA 160 2.694 2.407 1.214 18389 77 1 13 "Average Difference" CB 141 2.790 2.363 1.489 18389 78 1 13 "Average Difference" HN 157 0.731 -0.211 0.702 18389 79 1 14 "Average Difference" N 157 3.447 -0.133 3.455 18389 80 1 14 "Average Difference" HA 179 0.504 -0.119 0.491 18389 81 1 14 "Average Difference" C 156 2.783 2.538 1.145 18389 82 1 14 "Average Difference" CA 160 2.739 2.450 1.229 18389 83 1 14 "Average Difference" CB 141 2.962 2.489 1.611 18389 84 1 14 "Average Difference" HN 157 0.702 -0.191 0.677 18389 85 1 15 "Average Difference" N 157 3.478 -0.141 3.486 18389 86 1 15 "Average Difference" HA 179 0.575 -0.132 0.561 18389 87 1 15 "Average Difference" C 156 2.781 2.518 1.183 18389 88 1 15 "Average Difference" CA 160 2.735 2.371 1.367 18389 89 1 15 "Average Difference" CB 141 2.874 2.383 1.611 18389 90 1 15 "Average Difference" HN 157 0.735 -0.200 0.710 18389 91 1 16 "Average Difference" N 157 3.772 0.194 3.779 18389 92 1 16 "Average Difference" HA 179 0.458 -0.113 0.445 18389 93 1 16 "Average Difference" C 156 2.850 2.599 1.175 18389 94 1 16 "Average Difference" CA 160 2.660 2.395 1.162 18389 95 1 16 "Average Difference" CB 141 2.767 2.274 1.581 18389 96 1 16 "Average Difference" HN 157 0.695 -0.179 0.674 18389 97 1 17 "Average Difference" N 157 3.732 0.257 3.735 18389 98 1 17 "Average Difference" HA 179 0.478 -0.130 0.462 18389 99 1 17 "Average Difference" C 156 2.835 2.597 1.142 18389 100 1 17 "Average Difference" CA 160 2.703 2.395 1.256 18389 101 1 17 "Average Difference" CB 141 2.888 2.425 1.574 18389 102 1 17 "Average Difference" HN 157 0.710 -0.200 0.684 18389 103 1 18 "Average Difference" N 157 3.756 0.420 3.744 18389 104 1 18 "Average Difference" HA 179 0.451 -0.119 0.437 18389 105 1 18 "Average Difference" C 156 2.848 2.575 1.221 18389 106 1 18 "Average Difference" CA 160 2.780 2.445 1.327 18389 107 1 18 "Average Difference" CB 141 2.980 2.480 1.658 18389 108 1 18 "Average Difference" HN 157 0.738 -0.193 0.715 18389 109 1 19 "Average Difference" N 157 3.800 0.099 3.811 18389 110 1 19 "Average Difference" HA 179 0.495 -0.153 0.472 18389 111 1 19 "Average Difference" C 156 2.824 2.538 1.242 18389 112 1 19 "Average Difference" CA 160 2.775 2.402 1.395 18389 113 1 19 "Average Difference" CB 141 3.017 2.468 1.742 18389 114 1 19 "Average Difference" HN 157 0.763 -0.195 0.740 18389 115 1 20 "Average Difference" N 157 3.930 -0.107 3.941 18389 116 1 20 "Average Difference" HA 179 0.505 -0.102 0.496 18389 117 1 20 "Average Difference" C 156 2.852 2.596 1.184 18389 118 1 20 "Average Difference" CA 160 2.680 2.368 1.258 18389 119 1 20 "Average Difference" CB 141 2.790 2.349 1.511 18389 120 1 20 "Average Difference" HN 157 0.739 -0.186 0.717 18389 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 18389 _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 ALA N N 2 119.048 119.048 124.720 -5.672 18389 2 1 . 1 1 2 2 ALA HA H 2 4.284 4.284 4.675 -0.391 18389 3 1 . 1 1 2 2 ALA C C 2 174.144 174.144 177.035 -2.891 18389 4 1 . 1 1 2 2 ALA CA C 2 48.383 48.383 51.852 -3.469 18389 5 1 . 1 1 2 2 ALA CB C 2 19.829 19.829 19.817 0.012 18389 6 1 . 1 1 2 2 ALA H H 2 9.577 9.577 8.307 1.270 18389 7 1 . 1 1 3 3 SER N N 3 114.278 114.278 116.058 -1.780 18389 8 1 . 1 1 3 3 SER C C 3 173.040 173.040 174.295 -1.255 18389 9 1 . 1 1 3 3 SER H H 3 8.152 8.152 8.491 -0.339 18389 10 1 . 1 1 6 6 GLY N N 6 112.362 112.362 111.153 1.209 18389 11 1 . 1 1 6 6 GLY C C 6 170.686 170.686 173.395 -2.709 18389 12 1 . 1 1 6 6 GLY CA C 6 43.313 43.313 45.312 -1.999 18389 13 1 . 1 1 6 6 GLY H H 6 8.750 8.750 8.602 0.148 18389 14 1 . 1 1 7 7 GLU N N 7 117.722 117.722 120.127 -2.405 18389 15 1 . 1 1 7 7 GLU HA H 7 5.429 5.429 5.071 0.358 18389 16 1 . 1 1 7 7 GLU C C 7 172.744 172.744 175.054 -2.310 18389 17 1 . 1 1 7 7 GLU CA C 7 52.248 52.248 54.872 -2.624 18389 18 1 . 1 1 7 7 GLU CB C 7 31.170 31.170 32.326 -1.156 18389 19 1 . 1 1 7 7 GLU H H 7 8.078 8.078 7.917 0.161 18389 20 1 . 1 1 8 8 LYS N N 8 122.832 122.832 122.436 0.396 18389 21 1 . 1 1 8 8 LYS HA H 8 4.539 4.539 4.588 -0.049 18389 22 1 . 1 1 8 8 LYS C C 8 171.963 171.963 174.802 -2.839 18389 23 1 . 1 1 8 8 LYS CA C 8 52.565 52.565 54.809 -2.244 18389 24 1 . 1 1 8 8 LYS CB C 8 33.185 33.185 35.159 -1.974 18389 25 1 . 1 1 8 8 LYS H H 8 8.434 8.434 8.516 -0.082 18389 26 1 . 1 1 9 9 MET N N 9 128.562 128.562 124.610 3.952 18389 27 1 . 1 1 9 9 MET HA H 9 4.536 4.536 4.418 0.118 18389 28 1 . 1 1 9 9 MET C C 9 172.911 172.911 175.545 -2.634 18389 29 1 . 1 1 9 9 MET CA C 9 53.012 53.012 55.917 -2.905 18389 30 1 . 1 1 9 9 MET CB C 9 28.376 28.376 32.963 -4.587 18389 31 1 . 1 1 9 9 MET H H 9 8.984 8.984 8.689 0.295 18389 32 1 . 1 1 10 10 LEU N N 10 129.881 129.881 124.834 5.047 18389 33 1 . 1 1 10 10 LEU HA H 10 4.664 4.664 4.584 0.080 18389 34 1 . 1 1 10 10 LEU C C 10 174.887 174.887 176.749 -1.862 18389 35 1 . 1 1 10 10 LEU CA C 10 53.213 53.213 55.485 -2.272 18389 36 1 . 1 1 10 10 LEU CB C 10 40.399 40.399 43.467 -3.068 18389 37 1 . 1 1 10 10 LEU H H 10 9.751 9.751 8.869 0.882 18389 38 1 . 1 1 11 11 ASP N N 11 115.516 115.516 117.293 -1.777 18389 39 1 . 1 1 11 11 ASP HA H 11 4.723 4.723 4.711 0.012 18389 40 1 . 1 1 11 11 ASP C C 11 170.836 170.836 174.224 -3.388 18389 41 1 . 1 1 11 11 ASP CA C 11 53.583 53.583 53.787 -0.204 18389 42 1 . 1 1 11 11 ASP CB C 11 40.219 40.219 43.688 -3.469 18389 43 1 . 1 1 11 11 ASP H H 11 8.110 8.110 7.764 0.346 18389 44 1 . 1 1 12 12 ASP N N 12 124.144 124.144 122.596 1.548 18389 45 1 . 1 1 12 12 ASP HA H 12 4.851 4.851 4.768 0.083 18389 46 1 . 1 1 12 12 ASP C C 12 175.055 175.055 176.088 -1.033 18389 47 1 . 1 1 12 12 ASP CA C 12 50.310 50.310 53.034 -2.724 18389 48 1 . 1 1 12 12 ASP CB C 12 38.195 38.195 41.421 -3.225 18389 49 1 . 1 1 12 12 ASP H H 12 8.053 8.053 8.576 -0.523 18389 50 1 . 1 1 13 13 PHE N N 13 117.584 117.584 115.496 2.088 18389 51 1 . 1 1 13 13 PHE HA H 13 4.272 4.272 4.327 -0.055 18389 52 1 . 1 1 13 13 PHE C C 13 171.960 171.960 175.556 -3.596 18389 53 1 . 1 1 13 13 PHE CA C 13 58.913 58.913 58.950 -0.037 18389 54 1 . 1 1 13 13 PHE CB C 13 32.175 32.175 36.951 -4.776 18389 55 1 . 1 1 13 13 PHE H H 13 9.327 9.327 7.961 1.366 18389 56 1 . 1 1 14 14 GLU N N 14 113.122 113.122 118.229 -5.107 18389 57 1 . 1 1 14 14 GLU HA H 14 5.049 5.049 4.332 0.717 18389 58 1 . 1 1 14 14 GLU C C 14 175.300 175.300 177.449 -2.149 18389 59 1 . 1 1 14 14 GLU CA C 14 51.981 51.981 57.277 -5.296 18389 60 1 . 1 1 14 14 GLU CB C 14 24.994 24.994 29.513 -4.519 18389 61 1 . 1 1 14 14 GLU H H 14 8.165 8.165 8.428 -0.263 18389 62 1 . 1 1 15 15 GLY N N 15 110.108 110.108 108.482 1.626 18389 63 1 . 1 1 15 15 GLY C C 15 171.609 171.609 173.956 -2.347 18389 64 1 . 1 1 15 15 GLY CA C 15 41.854 41.854 44.881 -3.027 18389 65 1 . 1 1 15 15 GLY H H 15 8.117 8.117 7.956 0.161 18389 66 1 . 1 1 16 16 VAL N N 16 121.792 121.792 120.839 0.953 18389 67 1 . 1 1 16 16 VAL HA H 16 4.271 4.271 4.116 0.155 18389 68 1 . 1 1 16 16 VAL C C 16 173.203 173.203 175.873 -2.670 18389 69 1 . 1 1 16 16 VAL CA C 16 59.283 59.283 62.205 -2.922 18389 70 1 . 1 1 16 16 VAL CB C 16 30.201 30.201 32.831 -2.630 18389 71 1 . 1 1 16 16 VAL H H 16 8.190 8.190 8.087 0.103 18389 72 1 . 1 1 17 17 LEU N N 17 124.682 124.682 126.531 -1.849 18389 73 1 . 1 1 17 17 LEU HA H 17 4.898 4.898 4.522 0.376 18389 74 1 . 1 1 17 17 LEU C C 17 174.685 174.685 176.647 -1.962 18389 75 1 . 1 1 17 17 LEU CA C 17 52.798 52.798 55.444 -2.646 18389 76 1 . 1 1 17 17 LEU CB C 17 39.136 39.136 42.670 -3.534 18389 77 1 . 1 1 17 17 LEU H H 17 8.500 8.500 8.415 0.085 18389 78 1 . 1 1 18 18 ASN N N 18 127.589 127.589 122.256 5.333 18389 79 1 . 1 1 18 18 ASN HA H 18 5.147 5.147 4.643 0.504 18389 80 1 . 1 1 18 18 ASN C C 18 171.583 171.583 174.039 -2.456 18389 81 1 . 1 1 18 18 ASN CA C 18 50.977 50.977 52.425 -1.448 18389 82 1 . 1 1 18 18 ASN CB C 18 37.143 37.143 38.496 -1.353 18389 83 1 . 1 1 18 18 ASN H H 18 9.956 9.956 8.475 1.481 18389 84 1 . 1 1 19 19 TRP N N 19 119.913 119.913 119.575 0.338 18389 85 1 . 1 1 19 19 TRP HA H 19 5.058 5.058 5.099 -0.041 18389 86 1 . 1 1 19 19 TRP C C 19 174.918 174.918 176.927 -2.009 18389 87 1 . 1 1 19 19 TRP CA C 19 55.376 55.376 56.117 -0.741 18389 88 1 . 1 1 19 19 TRP CB C 19 27.400 27.400 31.363 -3.963 18389 89 1 . 1 1 19 19 TRP H H 19 7.057 7.057 7.490 -0.433 18389 90 1 . 1 1 20 20 GLY N N 20 112.934 112.934 110.234 2.700 18389 91 1 . 1 1 20 20 GLY C C 20 171.436 171.436 173.333 -1.897 18389 92 1 . 1 1 20 20 GLY CA C 20 40.940 40.940 44.901 -3.961 18389 93 1 . 1 1 20 20 GLY H H 20 9.622 9.622 9.000 0.622 18389 94 1 . 1 1 21 21 SER N N 21 114.752 114.752 117.798 -3.046 18389 95 1 . 1 1 21 21 SER HA H 21 5.686 5.686 5.212 0.474 18389 96 1 . 1 1 21 21 SER C C 21 170.314 170.314 173.563 -3.249 18389 97 1 . 1 1 21 21 SER CA C 21 55.911 55.911 57.752 -1.841 18389 98 1 . 1 1 21 21 SER CB C 21 64.070 64.070 65.962 -1.892 18389 99 1 . 1 1 21 21 SER H H 21 8.899 8.899 8.399 0.499 18389 100 1 . 1 1 22 22 TYR N N 22 118.001 118.001 120.577 -2.576 18389 101 1 . 1 1 22 22 TYR HA H 22 5.300 5.300 4.971 0.329 18389 102 1 . 1 1 22 22 TYR C C 22 170.760 170.760 173.206 -2.446 18389 103 1 . 1 1 22 22 TYR CA C 22 53.650 53.650 56.925 -3.275 18389 104 1 . 1 1 22 22 TYR CB C 22 37.824 37.824 40.486 -2.662 18389 105 1 . 1 1 22 22 TYR H H 22 8.807 8.807 8.518 0.289 18389 106 1 . 1 1 23 23 SER N N 23 109.826 109.826 115.379 -5.553 18389 107 1 . 1 1 23 23 SER HA H 23 4.912 4.912 5.145 -0.233 18389 108 1 . 1 1 23 23 SER C C 23 169.918 169.918 173.422 -3.504 18389 109 1 . 1 1 23 23 SER CA C 23 55.664 55.664 57.201 -1.537 18389 110 1 . 1 1 23 23 SER CB C 23 62.361 62.361 66.456 -4.095 18389 111 1 . 1 1 23 23 SER H H 23 8.435 8.435 8.437 -0.002 18389 112 1 . 1 1 24 24 GLY N N 24 103.788 103.788 107.698 -3.910 18389 113 1 . 1 1 24 24 GLY C C 24 170.240 170.240 173.915 -3.675 18389 114 1 . 1 1 24 24 GLY CA C 24 42.767 42.767 45.050 -2.283 18389 115 1 . 1 1 24 24 GLY H H 24 7.339 7.339 8.143 -0.804 18389 116 1 . 1 1 25 25 GLU N N 25 116.420 116.420 119.903 -3.483 18389 117 1 . 1 1 25 25 GLU HA H 25 4.109 4.109 4.176 -0.067 18389 118 1 . 1 1 25 25 GLU C C 25 173.683 173.683 176.736 -3.053 18389 119 1 . 1 1 25 25 GLU CA C 25 53.687 53.687 56.923 -3.236 18389 120 1 . 1 1 25 25 GLU CB C 25 25.146 25.146 29.302 -4.156 18389 121 1 . 1 1 25 25 GLU H H 25 8.962 8.962 8.386 0.576 18389 122 1 . 1 1 26 26 GLY N N 26 106.660 106.660 106.165 0.495 18389 123 1 . 1 1 26 26 GLY C C 26 171.638 171.638 173.747 -2.109 18389 124 1 . 1 1 26 26 GLY CA C 26 43.173 43.173 45.199 -2.026 18389 125 1 . 1 1 26 26 GLY H H 26 8.483 8.483 8.425 0.058 18389 126 1 . 1 1 27 27 ALA N N 27 123.407 123.407 122.789 0.618 18389 127 1 . 1 1 27 27 ALA HA H 27 4.647 4.647 4.391 0.256 18389 128 1 . 1 1 27 27 ALA C C 27 174.232 174.232 175.711 -1.479 18389 129 1 . 1 1 27 27 ALA CA C 27 49.563 49.563 51.568 -2.005 18389 130 1 . 1 1 27 27 ALA CB C 27 17.538 17.538 20.854 -3.316 18389 131 1 . 1 1 27 27 ALA H H 27 7.182 7.182 7.602 -0.420 18389 132 1 . 1 1 28 28 LYS N N 28 117.590 117.590 119.510 -1.920 18389 133 1 . 1 1 28 28 LYS HA H 28 4.892 4.892 4.658 0.234 18389 134 1 . 1 1 28 28 LYS C C 28 171.365 171.365 174.757 -3.392 18389 135 1 . 1 1 28 28 LYS CA C 28 52.419 52.419 55.584 -3.165 18389 136 1 . 1 1 28 28 LYS CB C 28 34.544 34.544 36.146 -1.602 18389 137 1 . 1 1 28 28 LYS H H 28 8.650 8.650 8.619 0.031 18389 138 1 . 1 1 29 29 VAL N N 29 118.148 118.148 122.721 -4.573 18389 139 1 . 1 1 29 29 VAL HA H 29 5.241 5.241 4.580 0.661 18389 140 1 . 1 1 29 29 VAL C C 29 169.809 169.809 175.036 -5.227 18389 141 1 . 1 1 29 29 VAL CA C 29 57.083 57.083 60.881 -3.798 18389 142 1 . 1 1 29 29 VAL CB C 29 31.475 31.475 33.903 -2.428 18389 143 1 . 1 1 29 29 VAL H H 29 8.327 8.327 8.465 -0.138 18389 144 1 . 1 1 30 30 SER N N 30 120.964 120.964 121.460 -0.496 18389 145 1 . 1 1 30 30 SER HA H 30 4.993 4.993 4.802 0.191 18389 146 1 . 1 1 30 30 SER C C 30 170.354 170.354 172.879 -2.525 18389 147 1 . 1 1 30 30 SER CA C 30 54.438 54.438 57.608 -3.170 18389 148 1 . 1 1 30 30 SER CB C 30 63.262 63.262 65.275 -2.013 18389 149 1 . 1 1 30 30 SER H H 30 8.797 8.797 8.579 0.218 18389 150 1 . 1 1 31 31 THR N N 31 112.970 112.970 116.884 -3.914 18389 151 1 . 1 1 31 31 THR HA H 31 5.618 5.618 5.224 0.394 18389 152 1 . 1 1 31 31 THR C C 31 171.857 171.857 174.150 -2.293 18389 153 1 . 1 1 31 31 THR CA C 31 56.212 56.212 60.504 -4.292 18389 154 1 . 1 1 31 31 THR CB C 31 69.719 69.719 70.637 -0.918 18389 155 1 . 1 1 31 31 THR H H 31 8.384 8.384 8.325 0.059 18389 156 1 . 1 1 32 32 LYS N N 32 119.710 119.710 123.923 -4.213 18389 157 1 . 1 1 32 32 LYS HA H 32 4.726 4.726 4.694 0.032 18389 158 1 . 1 1 32 32 LYS C C 32 171.734 171.734 174.839 -3.105 18389 159 1 . 1 1 32 32 LYS CA C 32 52.973 52.973 54.467 -1.494 18389 160 1 . 1 1 32 32 LYS CB C 32 34.094 34.094 36.060 -1.966 18389 161 1 . 1 1 32 32 LYS H H 32 8.530 8.530 8.893 -0.363 18389 162 1 . 1 1 33 33 ILE N N 33 124.276 124.276 122.253 2.023 18389 163 1 . 1 1 33 33 ILE HA H 33 4.974 4.974 4.637 0.337 18389 164 1 . 1 1 33 33 ILE C C 33 173.578 173.578 176.121 -2.543 18389 165 1 . 1 1 33 33 ILE CA C 33 57.439 57.439 60.646 -3.207 18389 166 1 . 1 1 33 33 ILE CB C 33 33.463 33.463 38.450 -4.987 18389 167 1 . 1 1 33 33 ILE H H 33 8.669 8.669 8.437 0.232 18389 168 1 . 1 1 34 34 VAL N N 34 121.698 121.698 122.705 -1.007 18389 169 1 . 1 1 34 34 VAL HA H 34 4.867 4.867 4.677 0.190 18389 170 1 . 1 1 34 34 VAL C C 34 172.702 172.702 174.723 -2.021 18389 171 1 . 1 1 34 34 VAL CA C 34 56.659 56.659 59.526 -2.867 18389 172 1 . 1 1 34 34 VAL CB C 34 33.909 33.909 34.694 -0.785 18389 173 1 . 1 1 34 34 VAL H H 34 8.463 8.463 8.564 -0.101 18389 174 1 . 1 1 35 35 SER N N 35 115.704 115.704 116.270 -0.566 18389 175 1 . 1 1 35 35 SER HA H 35 4.590 4.590 4.618 -0.028 18389 176 1 . 1 1 35 35 SER CA C 35 58.345 58.345 58.970 -0.625 18389 177 1 . 1 1 35 35 SER CB C 35 60.619 60.619 63.576 -2.957 18389 178 1 . 1 1 35 35 SER H H 35 8.271 8.271 8.428 -0.157 18389 179 1 . 1 1 36 36 GLY N N 36 113.970 113.970 111.501 2.469 18389 180 1 . 1 1 36 36 GLY C C 36 170.257 170.257 173.208 -2.951 18389 181 1 . 1 1 36 36 GLY CA C 36 40.698 40.698 44.030 -3.331 18389 182 1 . 1 1 36 36 GLY H H 36 9.267 9.267 8.176 1.091 18389 183 1 . 1 1 37 37 LYS N N 37 129.227 129.227 118.420 10.807 18389 184 1 . 1 1 37 37 LYS HA H 37 3.355 3.355 3.999 -0.644 18389 185 1 . 1 1 37 37 LYS C C 37 174.912 174.912 176.778 -1.866 18389 186 1 . 1 1 37 37 LYS CA C 37 55.555 55.555 57.774 -2.219 18389 187 1 . 1 1 37 37 LYS CB C 37 29.409 29.409 32.870 -3.461 18389 188 1 . 1 1 37 37 LYS H H 37 8.484 8.484 8.185 0.299 18389 189 1 . 1 1 38 38 THR N N 38 109.924 109.924 111.477 -1.553 18389 190 1 . 1 1 38 38 THR HA H 38 4.398 4.398 4.474 -0.076 18389 191 1 . 1 1 38 38 THR C C 38 171.818 171.818 174.123 -2.305 18389 192 1 . 1 1 38 38 THR CA C 38 57.223 57.223 61.095 -3.872 18389 193 1 . 1 1 38 38 THR CB C 38 67.805 67.805 70.300 -2.495 18389 194 1 . 1 1 38 38 THR H H 38 7.549 7.549 7.998 -0.449 18389 195 1 . 1 1 40 40 ASN N N 40 129.674 129.674 122.926 6.748 18389 196 1 . 1 1 40 40 ASN HA H 40 5.523 5.523 5.031 0.492 18389 197 1 . 1 1 40 40 ASN C C 40 173.717 173.717 175.273 -1.556 18389 198 1 . 1 1 40 40 ASN CA C 40 50.322 50.322 52.361 -2.039 18389 199 1 . 1 1 40 40 ASN CB C 40 38.188 38.188 40.588 -2.400 18389 200 1 . 1 1 40 40 ASN H H 40 10.958 10.958 8.633 2.325 18389 201 1 . 1 1 41 41 GLY N N 41 111.261 111.261 106.305 4.956 18389 202 1 . 1 1 41 41 GLY C C 41 166.652 166.652 172.302 -5.650 18389 203 1 . 1 1 41 41 GLY CA C 41 41.711 41.711 43.847 -2.136 18389 204 1 . 1 1 41 41 GLY H H 41 9.674 9.674 8.734 0.940 18389 205 1 . 1 1 42 42 MET N N 42 119.165 119.165 119.693 -0.528 18389 206 1 . 1 1 42 42 MET HA H 42 4.849 4.849 5.086 -0.237 18389 207 1 . 1 1 42 42 MET C C 42 171.154 171.154 173.704 -2.550 18389 208 1 . 1 1 42 42 MET CA C 42 51.503 51.503 53.812 -2.309 18389 209 1 . 1 1 42 42 MET CB C 42 33.293 33.293 36.047 -2.754 18389 210 1 . 1 1 42 42 MET H H 42 7.550 7.550 8.449 -0.899 18389 211 1 . 1 1 43 43 GLU N N 43 128.221 128.221 126.466 1.755 18389 212 1 . 1 1 43 43 GLU HA H 43 4.866 4.866 5.132 -0.266 18389 213 1 . 1 1 43 43 GLU C C 43 172.612 172.612 174.426 -1.814 18389 214 1 . 1 1 43 43 GLU CA C 43 51.679 51.679 54.460 -2.781 18389 215 1 . 1 1 43 43 GLU CB C 43 30.396 30.396 33.267 -2.871 18389 216 1 . 1 1 43 43 GLU H H 43 9.355 9.355 8.990 0.365 18389 217 1 . 1 1 44 44 VAL N N 44 131.011 131.011 125.024 5.987 18389 218 1 . 1 1 44 44 VAL HA H 44 4.362 4.362 4.877 -0.515 18389 219 1 . 1 1 44 44 VAL C C 44 171.752 171.752 173.682 -1.930 18389 220 1 . 1 1 44 44 VAL CA C 44 58.335 58.335 59.837 -1.502 18389 221 1 . 1 1 44 44 VAL CB C 44 28.950 28.950 34.841 -5.891 18389 222 1 . 1 1 44 44 VAL H H 44 9.002 9.002 8.873 0.129 18389 223 1 . 1 1 45 45 SER N N 45 120.764 120.764 122.421 -1.657 18389 224 1 . 1 1 45 45 SER HA H 45 4.975 4.975 5.169 -0.194 18389 225 1 . 1 1 45 45 SER C C 45 170.500 170.500 172.910 -2.410 18389 226 1 . 1 1 45 45 SER CA C 45 53.547 53.547 56.661 -3.114 18389 227 1 . 1 1 45 45 SER CB C 45 61.650 61.650 64.807 -3.157 18389 228 1 . 1 1 45 45 SER H H 45 8.511 8.511 8.684 -0.173 18389 229 1 . 1 1 46 46 TYR N N 46 123.478 123.478 124.261 -0.783 18389 230 1 . 1 1 46 46 TYR HA H 46 5.275 5.275 5.174 0.101 18389 231 1 . 1 1 46 46 TYR C C 46 171.644 171.644 174.783 -3.139 18389 232 1 . 1 1 46 46 TYR CA C 46 52.235 52.235 56.443 -4.208 18389 233 1 . 1 1 46 46 TYR CB C 46 37.465 37.465 41.348 -3.883 18389 234 1 . 1 1 46 46 TYR H H 46 8.511 8.511 9.088 -0.577 18389 235 1 . 1 1 47 47 THR N N 47 118.641 118.641 119.948 -1.307 18389 236 1 . 1 1 47 47 THR HA H 47 4.793 4.793 4.426 0.367 18389 237 1 . 1 1 47 47 THR C C 47 171.614 171.614 173.966 -2.352 18389 238 1 . 1 1 47 47 THR CA C 47 58.267 58.267 61.968 -3.701 18389 239 1 . 1 1 47 47 THR CB C 47 68.820 68.820 69.817 -0.997 18389 240 1 . 1 1 47 47 THR H H 47 8.935 8.935 8.444 0.491 18389 241 1 . 1 1 48 48 GLY N N 48 112.467 112.467 112.389 0.078 18389 242 1 . 1 1 48 48 GLY C C 48 170.521 170.521 172.168 -1.647 18389 243 1 . 1 1 48 48 GLY CA C 48 42.076 42.076 43.430 -1.353 18389 244 1 . 1 1 48 48 GLY H H 48 7.723 7.723 7.971 -0.247 18389 245 1 . 1 1 49 49 THR N N 49 106.823 106.823 111.077 -4.254 18389 246 1 . 1 1 49 49 THR HA H 49 4.913 4.913 4.546 0.367 18389 247 1 . 1 1 49 49 THR C C 49 172.529 172.529 175.194 -2.665 18389 248 1 . 1 1 49 49 THR CA C 49 57.385 57.385 59.738 -2.353 18389 249 1 . 1 1 49 49 THR CB C 49 69.609 69.609 71.213 -1.604 18389 250 1 . 1 1 49 49 THR H H 49 8.019 8.019 7.062 0.957 18389 251 1 . 1 1 51 51 ASP N N 51 118.095 118.095 119.970 -1.875 18389 252 1 . 1 1 51 51 ASP HA H 51 5.004 5.004 4.838 0.166 18389 253 1 . 1 1 51 51 ASP C C 51 172.913 172.913 176.268 -3.355 18389 254 1 . 1 1 51 51 ASP CA C 51 52.245 52.245 54.032 -1.787 18389 255 1 . 1 1 51 51 ASP CB C 51 38.770 38.770 41.777 -3.007 18389 256 1 . 1 1 51 51 ASP H H 51 8.613 8.613 8.239 0.374 18389 257 1 . 1 1 52 52 GLY N N 52 107.075 107.075 108.073 -0.998 18389 258 1 . 1 1 52 52 GLY C C 52 169.748 169.748 172.815 -3.067 18389 259 1 . 1 1 52 52 GLY CA C 52 42.906 42.906 44.929 -2.023 18389 260 1 . 1 1 52 52 GLY H H 52 7.651 7.651 7.796 -0.146 18389 261 1 . 1 1 53 53 TYR N N 53 112.556 112.556 115.457 -2.901 18389 262 1 . 1 1 53 53 TYR HA H 53 3.621 3.621 4.289 -0.668 18389 263 1 . 1 1 53 53 TYR C C 53 169.219 169.219 173.193 -3.974 18389 264 1 . 1 1 53 53 TYR CA C 53 52.106 52.106 56.353 -4.247 18389 265 1 . 1 1 53 53 TYR CB C 53 39.030 39.030 40.296 -1.266 18389 266 1 . 1 1 53 53 TYR H H 53 6.918 6.918 8.002 -1.084 18389 267 1 . 1 1 54 54 TRP N N 54 112.748 112.748 119.322 -6.574 18389 268 1 . 1 1 54 54 TRP HA H 54 5.379 5.379 5.558 -0.179 18389 269 1 . 1 1 54 54 TRP C C 54 171.085 171.085 174.724 -3.639 18389 270 1 . 1 1 54 54 TRP CA C 54 52.260 52.260 55.437 -3.177 18389 271 1 . 1 1 54 54 TRP CB C 54 29.975 29.975 32.398 -2.423 18389 272 1 . 1 1 54 54 TRP H H 54 6.406 6.406 7.708 -1.302 18389 273 1 . 1 1 55 55 GLY N N 55 108.552 108.552 107.248 1.304 18389 274 1 . 1 1 55 55 GLY C C 55 168.023 168.023 171.914 -3.891 18389 275 1 . 1 1 55 55 GLY CA C 55 43.448 43.448 45.379 -1.931 18389 276 1 . 1 1 55 55 GLY H H 55 8.689 8.689 8.386 0.303 18389 277 1 . 1 1 56 56 THR N N 56 113.376 113.376 115.485 -2.109 18389 278 1 . 1 1 56 56 THR HA H 56 5.868 5.868 4.828 1.040 18389 279 1 . 1 1 56 56 THR C C 56 170.376 170.376 173.093 -2.717 18389 280 1 . 1 1 56 56 THR CA C 56 57.238 57.238 61.646 -4.408 18389 281 1 . 1 1 56 56 THR CB C 56 69.053 69.053 71.529 -2.476 18389 282 1 . 1 1 56 56 THR H H 56 9.518 9.518 8.286 1.232 18389 283 1 . 1 1 57 57 VAL N N 57 123.361 123.361 125.072 -1.711 18389 284 1 . 1 1 57 57 VAL HA H 57 5.453 5.453 4.418 1.035 18389 285 1 . 1 1 57 57 VAL C C 57 169.082 169.082 174.022 -4.940 18389 286 1 . 1 1 57 57 VAL CA C 57 56.049 56.049 61.178 -5.129 18389 287 1 . 1 1 57 57 VAL CB C 57 33.347 33.347 35.169 -1.822 18389 288 1 . 1 1 57 57 VAL H H 57 8.956 8.956 8.565 0.391 18389 289 1 . 1 1 58 58 TYR N N 58 131.224 131.224 127.005 4.219 18389 290 1 . 1 1 58 58 TYR HA H 58 4.576 4.576 4.848 -0.272 18389 291 1 . 1 1 58 58 TYR C C 58 172.050 172.050 173.454 -1.404 18389 292 1 . 1 1 58 58 TYR CA C 58 51.582 51.582 56.119 -4.537 18389 293 1 . 1 1 58 58 TYR CB C 58 34.961 34.961 41.152 -6.191 18389 294 1 . 1 1 58 58 TYR H H 58 8.641 8.641 8.654 -0.013 18389 295 1 . 1 1 59 59 SER N N 59 123.126 123.126 122.934 0.192 18389 296 1 . 1 1 59 59 SER HA H 59 4.304 4.304 4.736 -0.432 18389 297 1 . 1 1 59 59 SER C C 59 170.891 170.891 173.825 -2.934 18389 298 1 . 1 1 59 59 SER CA C 59 55.452 55.452 56.933 -1.481 18389 299 1 . 1 1 59 59 SER CB C 59 60.048 60.048 63.731 -3.684 18389 300 1 . 1 1 59 59 SER H H 59 8.217 8.217 8.572 -0.355 18389 301 1 . 1 1 60 60 LEU N N 60 126.809 126.809 128.873 -2.064 18389 302 1 . 1 1 60 60 LEU HA H 60 4.253 4.253 4.674 -0.421 18389 303 1 . 1 1 60 60 LEU C C 60 173.994 173.994 176.092 -2.098 18389 304 1 . 1 1 60 60 LEU CA C 60 50.050 50.050 53.222 -3.172 18389 305 1 . 1 1 60 60 LEU CB C 60 39.357 39.357 41.987 -2.630 18389 306 1 . 1 1 60 60 LEU H H 60 7.838 7.838 8.144 -0.306 18389 307 1 . 1 1 61 61 PRO HA H 61 4.573 4.573 4.361 0.212 18389 308 1 . 1 1 61 61 PRO C C 61 173.514 173.514 176.366 -2.852 18389 309 1 . 1 1 61 61 PRO CA C 61 61.252 61.252 64.233 -2.981 18389 310 1 . 1 1 61 61 PRO CB C 61 29.315 29.315 32.171 -2.856 18389 311 1 . 1 1 62 62 ASP N N 62 115.943 115.943 117.103 -1.160 18389 312 1 . 1 1 62 62 ASP HA H 62 4.839 4.839 4.772 0.067 18389 313 1 . 1 1 62 62 ASP C C 62 172.949 172.949 175.593 -2.644 18389 314 1 . 1 1 62 62 ASP CA C 62 50.706 50.706 53.703 -2.997 18389 315 1 . 1 1 62 62 ASP CB C 62 40.031 40.031 42.634 -2.603 18389 316 1 . 1 1 62 62 ASP H H 62 7.018 7.018 7.976 -0.958 18389 317 1 . 1 1 63 63 GLY N N 63 112.680 112.680 109.236 3.444 18389 318 1 . 1 1 63 63 GLY C C 63 170.273 170.273 172.841 -2.568 18389 319 1 . 1 1 63 63 GLY CA C 63 43.001 43.001 44.629 -1.628 18389 320 1 . 1 1 63 63 GLY H H 63 8.417 8.417 8.534 -0.117 18389 321 1 . 1 1 64 64 ASP N N 64 115.221 115.221 120.372 -5.151 18389 322 1 . 1 1 64 64 ASP HA H 64 5.293 5.293 4.870 0.423 18389 323 1 . 1 1 64 64 ASP C C 64 174.354 174.354 175.631 -1.277 18389 324 1 . 1 1 64 64 ASP CA C 64 50.267 50.267 52.508 -2.241 18389 325 1 . 1 1 64 64 ASP CB C 64 37.340 37.340 41.041 -3.701 18389 326 1 . 1 1 64 64 ASP H H 64 7.766 7.766 7.929 -0.163 18389 327 1 . 1 1 65 65 TRP N N 65 130.747 130.747 122.083 8.664 18389 328 1 . 1 1 65 65 TRP HA H 65 5.431 5.431 4.993 0.438 18389 329 1 . 1 1 65 65 TRP C C 65 173.930 173.930 177.249 -3.319 18389 330 1 . 1 1 65 65 TRP CA C 65 52.044 52.044 56.327 -4.283 18389 331 1 . 1 1 65 65 TRP CB C 65 26.607 26.607 29.056 -2.449 18389 332 1 . 1 1 65 65 TRP H H 65 9.687 9.687 8.125 1.562 18389 333 1 . 1 1 66 66 SER N N 66 114.151 114.151 116.368 -2.217 18389 334 1 . 1 1 66 66 SER HA H 66 4.041 4.041 4.144 -0.103 18389 335 1 . 1 1 66 66 SER CA C 66 59.812 59.812 60.778 -0.966 18389 336 1 . 1 1 66 66 SER CB C 66 60.892 60.892 62.511 -1.619 18389 337 1 . 1 1 66 66 SER H H 66 8.568 8.568 8.111 0.457 18389 338 1 . 1 1 70 70 LYS N N 70 117.090 117.090 115.993 1.097 18389 339 1 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.629 -0.231 18389 340 1 . 1 1 70 70 LYS C C 70 170.030 170.030 174.510 -4.480 18389 341 1 . 1 1 70 70 LYS CA C 70 50.859 50.859 54.723 -3.864 18389 342 1 . 1 1 70 70 LYS CB C 70 34.956 34.956 36.682 -1.726 18389 343 1 . 1 1 70 70 LYS H H 70 8.308 8.308 7.705 0.603 18389 344 1 . 1 1 71 71 ILE N N 71 118.764 118.764 120.348 -1.584 18389 345 1 . 1 1 71 71 ILE HA H 71 5.214 5.214 4.604 0.610 18389 346 1 . 1 1 71 71 ILE C C 71 169.396 169.396 174.228 -4.832 18389 347 1 . 1 1 71 71 ILE CA C 71 55.333 55.333 59.454 -4.121 18389 348 1 . 1 1 71 71 ILE CB C 71 39.646 39.646 40.881 -1.235 18389 349 1 . 1 1 71 71 ILE H H 71 7.816 7.816 8.397 -0.581 18389 350 1 . 1 1 72 72 SER N N 72 120.952 120.952 117.398 3.554 18389 351 1 . 1 1 72 72 SER HA H 72 5.852 5.852 5.033 0.819 18389 352 1 . 1 1 72 72 SER C C 72 170.208 170.208 172.882 -2.675 18389 353 1 . 1 1 72 72 SER CA C 72 52.457 52.457 56.257 -3.800 18389 354 1 . 1 1 72 72 SER CB C 72 64.125 64.125 65.388 -1.263 18389 355 1 . 1 1 72 72 SER H H 72 9.237 9.237 8.538 0.699 18389 356 1 . 1 1 73 73 PHE N N 73 117.161 117.161 119.074 -1.912 18389 357 1 . 1 1 73 73 PHE HA H 73 5.371 5.371 5.555 -0.184 18389 358 1 . 1 1 73 73 PHE C C 73 170.381 170.381 173.599 -3.218 18389 359 1 . 1 1 73 73 PHE CA C 73 53.797 53.797 55.264 -1.467 18389 360 1 . 1 1 73 73 PHE CB C 73 38.572 38.572 41.541 -2.969 18389 361 1 . 1 1 73 73 PHE H H 73 8.093 8.093 7.894 0.199 18389 362 1 . 1 1 74 74 ASP N N 74 120.210 120.210 121.229 -1.019 18389 363 1 . 1 1 74 74 ASP HA H 74 6.154 6.154 5.460 0.694 18389 364 1 . 1 1 74 74 ASP C C 74 173.653 173.653 174.723 -1.070 18389 365 1 . 1 1 74 74 ASP CA C 74 50.896 50.896 53.880 -2.984 18389 366 1 . 1 1 74 74 ASP CB C 74 41.487 41.487 43.279 -1.792 18389 367 1 . 1 1 74 74 ASP H H 74 8.993 8.993 8.750 0.243 18389 368 1 . 1 1 75 75 ILE N N 75 121.051 121.051 124.991 -3.940 18389 369 1 . 1 1 75 75 ILE HA H 75 6.253 6.253 5.101 1.152 18389 370 1 . 1 1 75 75 ILE C C 75 171.229 171.229 173.166 -1.937 18389 371 1 . 1 1 75 75 ILE CA C 75 57.521 57.521 59.659 -2.138 18389 372 1 . 1 1 75 75 ILE CB C 75 41.521 41.521 41.584 -0.063 18389 373 1 . 1 1 75 75 ILE H H 75 9.681 9.681 8.271 1.410 18389 374 1 . 1 1 76 76 LYS N N 76 124.693 124.693 125.945 -1.252 18389 375 1 . 1 1 76 76 LYS HA H 76 4.831 4.831 5.027 -0.196 18389 376 1 . 1 1 76 76 LYS C C 76 172.283 172.283 174.508 -2.225 18389 377 1 . 1 1 76 76 LYS CA C 76 53.402 53.402 54.471 -1.069 18389 378 1 . 1 1 76 76 LYS CB C 76 32.722 32.722 35.660 -2.939 18389 379 1 . 1 1 76 76 LYS H H 76 8.454 8.454 8.652 -0.198 18389 380 1 . 1 1 77 77 SER N N 77 118.916 118.916 115.591 3.325 18389 381 1 . 1 1 77 77 SER HA H 77 4.816 4.816 4.687 0.129 18389 382 1 . 1 1 77 77 SER C C 77 172.741 172.741 174.667 -1.926 18389 383 1 . 1 1 77 77 SER CA C 77 55.341 55.341 58.359 -3.018 18389 384 1 . 1 1 77 77 SER CB C 77 61.792 61.792 64.163 -2.371 18389 385 1 . 1 1 77 77 SER H H 77 9.236 9.236 8.752 0.484 18389 386 1 . 1 1 78 78 VAL N N 78 120.723 120.723 122.494 -1.771 18389 387 1 . 1 1 78 78 VAL HA H 78 4.334 4.334 4.365 -0.031 18389 388 1 . 1 1 78 78 VAL C C 78 172.941 172.941 174.855 -1.914 18389 389 1 . 1 1 78 78 VAL CA C 78 59.795 59.795 61.292 -1.497 18389 390 1 . 1 1 78 78 VAL CB C 78 30.268 30.268 33.092 -2.824 18389 391 1 . 1 1 78 78 VAL H H 78 8.132 8.132 8.465 -0.333 18389 392 1 . 1 1 79 79 ASP N N 79 119.240 119.240 119.754 -0.514 18389 393 1 . 1 1 79 79 ASP HA H 79 4.741 4.741 4.688 0.053 18389 394 1 . 1 1 79 79 ASP C C 79 174.199 174.199 176.622 -2.423 18389 395 1 . 1 1 79 79 ASP CA C 79 51.112 51.112 54.006 -2.894 18389 396 1 . 1 1 79 79 ASP CB C 79 39.073 39.073 42.479 -3.406 18389 397 1 . 1 1 79 79 ASP H H 79 8.190 8.190 7.697 0.493 18389 398 1 . 1 1 80 80 GLY N N 80 108.323 108.323 109.056 -0.733 18389 399 1 . 1 1 80 80 GLY C C 80 171.858 171.858 174.369 -2.511 18389 400 1 . 1 1 80 80 GLY CA C 80 43.103 43.103 45.477 -2.374 18389 401 1 . 1 1 80 80 GLY H H 80 8.275 8.275 8.204 0.071 18389 402 1 . 1 1 81 81 SER N N 81 116.291 116.291 116.218 0.073 18389 403 1 . 1 1 81 81 SER HA H 81 4.588 4.588 4.464 0.124 18389 404 1 . 1 1 81 81 SER C C 81 171.588 171.588 174.055 -2.467 18389 405 1 . 1 1 81 81 SER CA C 81 55.552 55.552 58.437 -2.885 18389 406 1 . 1 1 81 81 SER CB C 81 61.910 61.910 64.509 -2.599 18389 407 1 . 1 1 81 81 SER H H 81 8.201 8.201 7.870 0.331 18389 408 1 . 1 1 82 82 ALA N N 82 128.019 128.019 125.383 2.636 18389 409 1 . 1 1 82 82 ALA HA H 82 4.962 4.962 4.521 0.441 18389 410 1 . 1 1 82 82 ALA C C 82 173.332 173.332 176.578 -3.246 18389 411 1 . 1 1 82 82 ALA CA C 82 49.079 49.079 51.789 -2.710 18389 412 1 . 1 1 82 82 ALA CB C 82 16.570 16.570 18.973 -2.403 18389 413 1 . 1 1 82 82 ALA H H 82 8.613 8.613 8.454 0.159 18389 414 1 . 1 1 83 83 ASN N N 83 119.651 119.651 118.544 1.107 18389 415 1 . 1 1 83 83 ASN HA H 83 5.062 5.062 4.706 0.356 18389 416 1 . 1 1 83 83 ASN C C 83 170.848 170.848 174.786 -3.938 18389 417 1 . 1 1 83 83 ASN CA C 83 50.760 50.760 52.628 -1.868 18389 418 1 . 1 1 83 83 ASN CB C 83 38.789 38.789 39.428 -0.639 18389 419 1 . 1 1 83 83 ASN H H 83 8.153 8.153 8.016 0.137 18389 420 1 . 1 1 84 84 GLU N N 84 127.150 127.150 120.314 6.836 18389 421 1 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.572 0.141 18389 422 1 . 1 1 84 84 GLU C C 84 171.647 171.647 175.743 -4.096 18389 423 1 . 1 1 84 84 GLU CA C 84 54.772 54.772 56.325 -1.553 18389 424 1 . 1 1 84 84 GLU CB C 84 28.701 28.701 30.889 -2.188 18389 425 1 . 1 1 84 84 GLU H H 84 8.122 8.122 8.472 -0.350 18389 426 1 . 1 1 85 85 ILE N N 85 117.590 117.590 116.601 0.989 18389 427 1 . 1 1 85 85 ILE HA H 85 4.633 4.633 4.674 -0.041 18389 428 1 . 1 1 85 85 ILE C C 85 171.902 171.902 173.878 -1.976 18389 429 1 . 1 1 85 85 ILE CA C 85 58.031 58.031 59.180 -1.149 18389 430 1 . 1 1 85 85 ILE CB C 85 40.252 40.252 41.902 -1.650 18389 431 1 . 1 1 85 85 ILE H H 85 8.910 8.910 8.739 0.171 18389 432 1 . 1 1 86 86 ARG N N 86 116.697 116.697 118.992 -2.295 18389 433 1 . 1 1 86 86 ARG HA H 86 5.396 5.396 5.036 0.360 18389 434 1 . 1 1 86 86 ARG C C 86 171.787 171.787 175.089 -3.302 18389 435 1 . 1 1 86 86 ARG CA C 86 53.115 53.115 54.083 -0.968 18389 436 1 . 1 1 86 86 ARG CB C 86 32.062 32.062 33.453 -1.391 18389 437 1 . 1 1 86 86 ARG H H 86 9.149 9.149 8.350 0.799 18389 438 1 . 1 1 87 87 PHE N N 87 123.607 123.607 120.925 2.682 18389 439 1 . 1 1 87 87 PHE HA H 87 5.488 5.488 5.136 0.352 18389 440 1 . 1 1 87 87 PHE CA C 87 53.817 53.817 56.426 -2.609 18389 441 1 . 1 1 87 87 PHE CB C 87 40.112 40.112 41.649 -1.537 18389 442 1 . 1 1 87 87 PHE H H 87 9.235 9.235 8.843 0.392 18389 443 1 . 1 1 88 88 MET N N 88 129.893 129.893 120.880 9.013 18389 444 1 . 1 1 88 88 MET HA H 88 5.836 5.836 5.624 0.212 18389 445 1 . 1 1 88 88 MET C C 88 170.768 170.768 174.274 -3.506 18389 446 1 . 1 1 88 88 MET CA C 88 51.118 51.118 54.556 -3.438 18389 447 1 . 1 1 88 88 MET CB C 88 37.224 37.224 37.329 -0.105 18389 448 1 . 1 1 88 88 MET H H 88 8.868 8.868 8.987 -0.119 18389 449 1 . 1 1 89 89 ILE N N 89 124.630 124.630 123.747 0.883 18389 450 1 . 1 1 89 89 ILE HA H 89 4.538 4.538 5.027 -0.489 18389 451 1 . 1 1 89 89 ILE C C 89 171.047 171.047 173.980 -2.933 18389 452 1 . 1 1 89 89 ILE CA C 89 57.971 57.971 59.373 -1.402 18389 453 1 . 1 1 89 89 ILE CB C 89 38.920 38.920 41.899 -2.979 18389 454 1 . 1 1 89 89 ILE H H 89 9.258 9.258 9.232 0.025 18389 455 1 . 1 1 90 90 ALA N N 90 128.743 128.743 128.976 -0.233 18389 456 1 . 1 1 90 90 ALA HA H 90 5.666 5.666 5.302 0.364 18389 457 1 . 1 1 90 90 ALA C C 90 176.041 176.041 176.268 -0.227 18389 458 1 . 1 1 90 90 ALA CA C 90 46.821 46.821 49.819 -2.998 18389 459 1 . 1 1 90 90 ALA CB C 90 18.331 18.331 21.445 -3.114 18389 460 1 . 1 1 90 90 ALA H H 90 8.749 8.749 9.136 -0.387 18389 461 1 . 1 1 91 91 GLU N N 91 121.616 121.616 124.595 -2.979 18389 462 1 . 1 1 91 91 GLU HA H 91 4.718 4.718 4.606 0.112 18389 463 1 . 1 1 91 91 GLU C C 91 174.217 174.217 176.741 -2.524 18389 464 1 . 1 1 91 91 GLU CA C 91 53.143 53.143 55.550 -2.407 18389 465 1 . 1 1 91 91 GLU CB C 91 29.847 29.847 31.986 -2.139 18389 466 1 . 1 1 91 91 GLU H H 91 8.749 8.749 8.753 -0.004 18389 467 1 . 1 1 92 92 LYS N N 92 117.975 117.975 121.325 -3.350 18389 468 1 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.418 -0.049 18389 469 1 . 1 1 92 92 LYS C C 92 174.743 174.743 176.762 -2.019 18389 470 1 . 1 1 92 92 LYS CA C 92 54.360 54.360 56.361 -2.001 18389 471 1 . 1 1 92 92 LYS CB C 92 30.656 30.656 33.374 -2.718 18389 472 1 . 1 1 92 92 LYS H H 92 8.014 8.014 8.277 -0.263 18389 473 1 . 1 1 93 93 SER N N 93 115.092 115.092 116.490 -1.399 18389 474 1 . 1 1 93 93 SER HA H 93 4.215 4.215 4.539 -0.324 18389 475 1 . 1 1 93 93 SER C C 93 174.964 174.964 176.444 -1.480 18389 476 1 . 1 1 93 93 SER CA C 93 53.874 53.874 57.840 -3.966 18389 477 1 . 1 1 93 93 SER CB C 93 61.736 61.736 64.004 -2.269 18389 478 1 . 1 1 93 93 SER H H 93 8.083 8.083 8.543 -0.460 18389 479 1 . 1 1 94 94 ILE N N 94 121.880 121.880 121.178 0.702 18389 480 1 . 1 1 94 94 ILE HA H 94 4.386 4.386 4.111 0.275 18389 481 1 . 1 1 94 94 ILE C C 94 174.020 174.020 176.390 -2.370 18389 482 1 . 1 1 94 94 ILE CA C 94 60.345 60.345 62.643 -2.298 18389 483 1 . 1 1 94 94 ILE CB C 94 36.001 36.001 37.924 -1.923 18389 484 1 . 1 1 94 94 ILE H H 94 9.150 9.150 8.691 0.459 18389 485 1 . 1 1 95 95 ASN N N 95 117.349 117.349 118.930 -1.581 18389 486 1 . 1 1 95 95 ASN HA H 95 5.055 5.055 4.786 0.269 18389 487 1 . 1 1 95 95 ASN C C 95 173.659 173.659 175.930 -2.271 18389 488 1 . 1 1 95 95 ASN CA C 95 49.387 49.387 53.075 -3.688 18389 489 1 . 1 1 95 95 ASN CB C 95 36.666 36.666 38.937 -2.271 18389 490 1 . 1 1 95 95 ASN H H 95 8.163 8.163 8.085 0.078 18389 491 1 . 1 1 96 96 GLY N N 96 106.957 106.957 108.026 -1.069 18389 492 1 . 1 1 96 96 GLY C C 96 170.704 170.704 173.988 -3.284 18389 493 1 . 1 1 96 96 GLY CA C 96 43.319 43.319 45.570 -2.251 18389 494 1 . 1 1 96 96 GLY H H 96 7.530 7.530 7.923 -0.394 18389 495 1 . 1 1 97 97 VAL N N 97 119.393 119.393 121.052 -1.659 18389 496 1 . 1 1 97 97 VAL HA H 97 4.354 4.354 4.259 0.095 18389 497 1 . 1 1 97 97 VAL C C 97 173.622 173.622 176.244 -2.622 18389 498 1 . 1 1 97 97 VAL CA C 97 59.142 59.142 61.553 -2.411 18389 499 1 . 1 1 97 97 VAL CB C 97 30.771 30.771 33.319 -2.548 18389 500 1 . 1 1 97 97 VAL H H 97 7.650 7.650 7.377 0.273 18389 501 1 . 1 1 98 98 GLY N N 98 115.075 115.075 113.669 1.406 18389 502 1 . 1 1 98 98 GLY C C 98 170.065 170.065 173.514 -3.449 18389 503 1 . 1 1 98 98 GLY CA C 98 42.739 42.739 45.574 -2.835 18389 504 1 . 1 1 98 98 GLY H H 98 8.712 8.712 8.643 0.068 18389 505 1 . 1 1 99 99 ASP N N 99 119.064 119.064 121.312 -2.248 18389 506 1 . 1 1 99 99 ASP HA H 99 4.675 4.675 4.856 -0.181 18389 507 1 . 1 1 99 99 ASP C C 99 172.502 172.502 175.792 -3.290 18389 508 1 . 1 1 99 99 ASP CA C 99 50.581 50.581 53.571 -2.990 18389 509 1 . 1 1 99 99 ASP CB C 99 39.195 39.195 43.038 -3.843 18389 510 1 . 1 1 99 99 ASP H H 99 8.746 8.746 8.049 0.697 18389 511 1 . 1 1 100 100 GLY N N 100 109.333 109.333 107.714 1.619 18389 512 1 . 1 1 100 100 GLY C C 100 167.638 167.638 173.270 -5.632 18389 513 1 . 1 1 100 100 GLY CA C 100 40.109 40.109 45.042 -4.933 18389 514 1 . 1 1 100 100 GLY H H 100 8.285 8.285 8.341 -0.056 18389 515 1 . 1 1 101 101 GLU N N 101 120.835 120.835 121.714 -0.879 18389 516 1 . 1 1 101 101 GLU HA H 101 4.727 4.727 4.543 0.184 18389 517 1 . 1 1 101 101 GLU C C 101 173.652 173.652 175.041 -1.389 18389 518 1 . 1 1 101 101 GLU CA C 101 55.449 55.449 55.814 -0.365 18389 519 1 . 1 1 101 101 GLU CB C 101 31.014 31.014 31.861 -0.847 18389 520 1 . 1 1 101 101 GLU H H 101 8.339 8.339 8.093 0.246 18389 521 1 . 1 1 102 102 HIS N N 102 126.597 126.597 123.483 3.114 18389 522 1 . 1 1 102 102 HIS HA H 102 5.406 5.406 5.159 0.247 18389 523 1 . 1 1 102 102 HIS C C 102 174.479 174.479 174.121 0.358 18389 524 1 . 1 1 102 102 HIS CA C 102 52.912 52.912 54.762 -1.850 18389 525 1 . 1 1 102 102 HIS CB C 102 33.756 33.756 31.881 1.875 18389 526 1 . 1 1 102 102 HIS H H 102 10.029 10.029 8.720 1.309 18389 527 1 . 1 1 103 103 TRP N N 103 125.616 125.616 124.059 1.557 18389 528 1 . 1 1 103 103 TRP HA H 103 5.031 5.031 5.426 -0.395 18389 529 1 . 1 1 103 103 TRP C C 103 173.236 173.236 174.967 -1.731 18389 530 1 . 1 1 103 103 TRP CA C 103 54.833 54.833 56.195 -1.362 18389 531 1 . 1 1 103 103 TRP CB C 103 29.190 29.190 32.442 -3.252 18389 532 1 . 1 1 103 103 TRP H H 103 9.242 9.242 9.102 0.140 18389 533 1 . 1 1 104 104 VAL N N 104 114.086 114.086 117.088 -3.002 18389 534 1 . 1 1 104 104 VAL HA H 104 6.133 6.133 5.477 0.656 18389 535 1 . 1 1 104 104 VAL C C 104 173.194 173.194 174.000 -0.806 18389 536 1 . 1 1 104 104 VAL CA C 104 57.329 57.329 59.426 -2.097 18389 537 1 . 1 1 104 104 VAL CB C 104 35.443 35.443 35.598 -0.155 18389 538 1 . 1 1 104 104 VAL H H 104 10.273 10.273 9.347 0.926 18389 539 1 . 1 1 105 105 TYR N N 105 123.278 123.278 123.999 -0.721 18389 540 1 . 1 1 105 105 TYR HA H 105 4.660 4.660 4.823 -0.163 18389 541 1 . 1 1 105 105 TYR C C 105 172.030 172.030 174.613 -2.583 18389 542 1 . 1 1 105 105 TYR CA C 105 56.722 56.722 56.994 -0.271 18389 543 1 . 1 1 105 105 TYR CB C 105 40.973 40.973 41.077 -0.104 18389 544 1 . 1 1 105 105 TYR H H 105 9.219 9.219 8.796 0.423 18389 545 1 . 1 1 106 106 SER N N 106 123.619 123.619 118.232 5.387 18389 546 1 . 1 1 106 106 SER HA H 106 5.226 5.226 5.133 0.093 18389 547 1 . 1 1 106 106 SER C C 106 170.291 170.291 172.890 -2.599 18389 548 1 . 1 1 106 106 SER CA C 106 56.800 56.800 57.163 -0.363 18389 549 1 . 1 1 106 106 SER CB C 106 61.265 61.265 64.739 -3.474 18389 550 1 . 1 1 106 106 SER H H 106 7.768 7.768 8.191 -0.423 18389 551 1 . 1 1 107 107 ILE N N 107 120.192 120.192 121.876 -1.684 18389 552 1 . 1 1 107 107 ILE HA H 107 4.759 4.759 4.535 0.224 18389 553 1 . 1 1 107 107 ILE C C 107 171.471 171.471 173.457 -1.986 18389 554 1 . 1 1 107 107 ILE CA C 107 57.011 57.011 59.805 -2.794 18389 555 1 . 1 1 107 107 ILE CB C 107 39.759 39.759 41.786 -2.027 18389 556 1 . 1 1 107 107 ILE H H 107 8.942 8.942 8.754 0.188 18389 557 1 . 1 1 108 108 THR N N 108 118.723 118.723 115.026 3.697 18389 558 1 . 1 1 108 108 THR HA H 108 5.017 5.017 4.888 0.129 18389 559 1 . 1 1 108 108 THR C C 108 170.359 170.359 172.933 -2.574 18389 560 1 . 1 1 108 108 THR CA C 108 56.686 56.686 58.575 -1.889 18389 561 1 . 1 1 108 108 THR CB C 108 67.488 67.488 69.746 -2.258 18389 562 1 . 1 1 108 108 THR H H 108 8.718 8.718 8.200 0.518 18389 563 1 . 1 1 109 109 PRO HA H 109 4.410 4.410 4.648 -0.238 18389 564 1 . 1 1 109 109 PRO C C 109 171.443 171.443 175.748 -4.306 18389 565 1 . 1 1 109 109 PRO CA C 109 59.824 59.824 62.559 -2.735 18389 566 1 . 1 1 109 109 PRO CB C 109 29.978 29.978 33.108 -3.130 18389 567 1 . 1 1 110 110 ASP N N 110 122.785 122.785 118.778 4.007 18389 568 1 . 1 1 110 110 ASP HA H 110 5.148 5.148 4.847 0.301 18389 569 1 . 1 1 110 110 ASP C C 110 174.113 174.113 176.730 -2.617 18389 570 1 . 1 1 110 110 ASP CA C 110 50.056 50.056 53.217 -3.161 18389 571 1 . 1 1 110 110 ASP CB C 110 40.689 40.689 43.441 -2.752 18389 572 1 . 1 1 110 110 ASP H H 110 9.061 9.061 8.382 0.679 18389 573 1 . 1 1 111 111 SER N N 111 112.595 112.595 113.723 -1.128 18389 574 1 . 1 1 111 111 SER HA H 111 4.432 4.432 4.607 -0.175 18389 575 1 . 1 1 111 111 SER CA C 111 58.333 58.333 59.088 -0.755 18389 576 1 . 1 1 111 111 SER CB C 111 61.046 61.046 63.960 -2.914 18389 577 1 . 1 1 111 111 SER H H 111 8.435 8.435 8.506 -0.071 18389 578 1 . 1 1 112 112 SER N N 112 116.615 116.615 116.144 0.471 18389 579 1 . 1 1 112 112 SER HA H 112 4.862 4.862 4.591 0.271 18389 580 1 . 1 1 112 112 SER C C 112 170.519 170.519 173.506 -2.987 18389 581 1 . 1 1 112 112 SER CA C 112 54.017 54.017 57.348 -3.331 18389 582 1 . 1 1 112 112 SER CB C 112 62.948 62.948 64.886 -1.938 18389 583 1 . 1 1 112 112 SER H H 112 8.035 8.035 7.859 0.176 18389 584 1 . 1 1 113 113 TRP N N 113 120.576 120.576 123.516 -2.940 18389 585 1 . 1 1 113 113 TRP HA H 113 4.554 4.554 4.582 -0.028 18389 586 1 . 1 1 113 113 TRP C C 113 174.599 174.599 176.087 -1.488 18389 587 1 . 1 1 113 113 TRP CA C 113 56.882 56.882 57.399 -0.517 18389 588 1 . 1 1 113 113 TRP CB C 113 27.360 27.360 29.456 -2.096 18389 589 1 . 1 1 113 113 TRP H H 113 8.318 8.318 8.520 -0.202 18389 590 1 . 1 1 114 114 LYS N N 114 123.372 123.372 125.618 -2.246 18389 591 1 . 1 1 114 114 LYS HA H 114 4.894 4.894 4.648 0.246 18389 592 1 . 1 1 114 114 LYS C C 114 172.772 172.772 175.326 -2.554 18389 593 1 . 1 1 114 114 LYS CA C 114 52.948 52.948 55.224 -2.277 18389 594 1 . 1 1 114 114 LYS CB C 114 34.250 34.250 35.407 -1.157 18389 595 1 . 1 1 114 114 LYS H H 114 8.782 8.782 8.526 0.256 18389 596 1 . 1 1 115 115 THR N N 115 120.929 120.929 120.783 0.146 18389 597 1 . 1 1 115 115 THR HA H 115 5.226 5.226 4.715 0.511 18389 598 1 . 1 1 115 115 THR C C 115 171.778 171.778 174.505 -2.727 18389 599 1 . 1 1 115 115 THR CA C 115 59.671 59.671 62.691 -3.020 18389 600 1 . 1 1 115 115 THR CB C 115 66.938 66.938 68.981 -2.043 18389 601 1 . 1 1 115 115 THR H H 115 8.689 8.689 8.525 0.164 18389 602 1 . 1 1 116 116 ILE N N 116 131.929 131.929 128.557 3.372 18389 603 1 . 1 1 116 116 ILE HA H 116 4.184 4.184 4.205 -0.021 18389 604 1 . 1 1 116 116 ILE C C 116 171.012 171.012 174.819 -3.807 18389 605 1 . 1 1 116 116 ILE CA C 116 56.357 56.357 60.081 -3.724 18389 606 1 . 1 1 116 116 ILE CB C 116 34.331 34.331 37.450 -3.119 18389 607 1 . 1 1 116 116 ILE H H 116 9.470 9.470 8.982 0.488 18389 608 1 . 1 1 117 117 GLU N N 117 124.514 124.514 127.636 -3.122 18389 609 1 . 1 1 117 117 GLU HA H 117 4.870 4.870 4.534 0.336 18389 610 1 . 1 1 117 117 GLU C C 117 173.332 173.332 175.774 -2.442 18389 611 1 . 1 1 117 117 GLU CA C 117 51.798 51.798 55.899 -4.101 18389 612 1 . 1 1 117 117 GLU CB C 117 29.693 29.693 29.828 -0.135 18389 613 1 . 1 1 117 117 GLU H H 117 8.089 8.089 8.358 -0.269 18389 614 1 . 1 1 118 118 ILE N N 118 125.005 125.005 124.472 0.533 18389 615 1 . 1 1 118 118 ILE HA H 118 4.423 4.423 4.421 0.002 18389 616 1 . 1 1 118 118 ILE C C 118 171.765 171.765 173.639 -1.874 18389 617 1 . 1 1 118 118 ILE CA C 118 55.640 55.640 57.833 -2.193 18389 618 1 . 1 1 118 118 ILE CB C 118 37.429 37.429 39.444 -2.015 18389 619 1 . 1 1 118 118 ILE H H 118 9.322 9.322 8.305 1.017 18389 620 1 . 1 1 119 119 PRO HA H 119 4.837 4.837 4.771 0.066 18389 621 1 . 1 1 119 119 PRO C C 119 176.780 176.780 178.182 -1.402 18389 622 1 . 1 1 119 119 PRO CA C 119 59.404 59.404 61.892 -2.488 18389 623 1 . 1 1 119 119 PRO CB C 119 29.065 29.065 32.457 -3.392 18389 624 1 . 1 1 120 120 PHE N N 120 124.627 124.627 118.332 6.295 18389 625 1 . 1 1 120 120 PHE HA H 120 4.994 4.994 4.368 0.626 18389 626 1 . 1 1 120 120 PHE C C 120 175.402 175.402 176.761 -1.359 18389 627 1 . 1 1 120 120 PHE CA C 120 59.272 59.272 60.071 -0.799 18389 628 1 . 1 1 120 120 PHE CB C 120 35.245 35.245 37.844 -2.599 18389 629 1 . 1 1 120 120 PHE H H 120 8.160 8.160 8.307 -0.147 18389 630 1 . 1 1 121 121 SER N N 121 110.551 110.551 113.545 -2.994 18389 631 1 . 1 1 121 121 SER HA H 121 4.647 4.647 4.197 0.450 18389 632 1 . 1 1 121 121 SER C C 121 173.187 173.187 175.110 -1.923 18389 633 1 . 1 1 121 121 SER CA C 121 57.359 57.359 59.620 -2.261 18389 634 1 . 1 1 121 121 SER CB C 121 60.639 60.639 62.834 -2.195 18389 635 1 . 1 1 121 121 SER H H 121 8.367 8.367 8.085 0.282 18389 636 1 . 1 1 122 122 SER N N 122 117.166 117.166 116.640 0.526 18389 637 1 . 1 1 122 122 SER HA H 122 4.946 4.946 4.191 0.755 18389 638 1 . 1 1 122 122 SER C C 122 172.296 172.296 173.827 -1.531 18389 639 1 . 1 1 122 122 SER CA C 122 57.525 57.525 59.293 -1.768 18389 640 1 . 1 1 122 122 SER CB C 122 61.716 61.716 63.445 -1.729 18389 641 1 . 1 1 122 122 SER H H 122 8.537 8.537 7.633 0.904 18389 642 1 . 1 1 123 123 PHE N N 123 119.840 119.840 119.396 0.444 18389 643 1 . 1 1 123 123 PHE HA H 123 4.647 4.647 4.814 -0.167 18389 644 1 . 1 1 123 123 PHE C C 123 173.527 173.527 175.459 -1.932 18389 645 1 . 1 1 123 123 PHE CA C 123 58.778 58.778 58.847 -0.069 18389 646 1 . 1 1 123 123 PHE CB C 123 38.547 38.547 39.920 -1.373 18389 647 1 . 1 1 123 123 PHE H H 123 7.807 7.807 7.551 0.256 18389 648 1 . 1 1 124 124 ARG N N 124 120.098 120.098 121.563 -1.465 18389 649 1 . 1 1 124 124 ARG HA H 124 5.341 5.341 5.025 0.316 18389 650 1 . 1 1 124 124 ARG C C 124 172.631 172.631 174.962 -2.331 18389 651 1 . 1 1 124 124 ARG CA C 124 51.325 51.325 54.042 -2.717 18389 652 1 . 1 1 124 124 ARG CB C 124 30.721 30.721 33.855 -3.134 18389 653 1 . 1 1 124 124 ARG H H 124 9.297 9.297 9.123 0.174 18389 654 1 . 1 1 125 125 ARG N N 125 126.739 126.739 121.989 4.750 18389 655 1 . 1 1 125 125 ARG HA H 125 2.962 2.962 4.162 -1.200 18389 656 1 . 1 1 125 125 ARG C C 125 174.319 174.319 176.127 -1.808 18389 657 1 . 1 1 125 125 ARG CA C 125 55.036 55.036 55.564 -0.528 18389 658 1 . 1 1 125 125 ARG CB C 125 27.348 27.348 30.722 -3.374 18389 659 1 . 1 1 125 125 ARG H H 125 8.611 8.611 8.507 0.104 18389 660 1 . 1 1 126 126 ARG N N 126 126.556 126.556 124.908 1.648 18389 661 1 . 1 1 126 126 ARG HA H 126 3.964 3.964 4.322 -0.358 18389 662 1 . 1 1 126 126 ARG C C 126 174.021 174.021 175.431 -1.410 18389 663 1 . 1 1 126 126 ARG CA C 126 55.538 55.538 55.783 -0.245 18389 664 1 . 1 1 126 126 ARG CB C 126 29.739 29.739 30.197 -0.458 18389 665 1 . 1 1 126 126 ARG H H 126 7.917 7.917 8.199 -0.282 18389 666 1 . 1 1 127 127 LEU N N 127 124.550 124.550 123.587 0.963 18389 667 1 . 1 1 127 127 LEU HA H 127 4.654 4.654 4.464 0.190 18389 668 1 . 1 1 127 127 LEU C C 127 175.775 175.775 177.075 -1.300 18389 669 1 . 1 1 127 127 LEU CA C 127 53.208 53.208 55.941 -2.733 18389 670 1 . 1 1 127 127 LEU CB C 127 41.378 41.378 42.276 -0.898 18389 671 1 . 1 1 127 127 LEU H H 127 8.817 8.817 8.386 0.431 18389 672 1 . 1 1 128 128 ASP N N 128 116.209 116.209 118.518 -2.309 18389 673 1 . 1 1 128 128 ASP HA H 128 4.549 4.549 4.535 0.014 18389 674 1 . 1 1 128 128 ASP C C 128 172.491 172.491 175.771 -3.280 18389 675 1 . 1 1 128 128 ASP CA C 128 52.492 52.492 55.141 -2.649 18389 676 1 . 1 1 128 128 ASP CB C 128 36.582 36.582 41.103 -4.521 18389 677 1 . 1 1 128 128 ASP H H 128 9.072 9.072 8.295 0.777 18389 678 1 . 1 1 129 129 TYR N N 129 119.329 119.329 119.792 -0.463 18389 679 1 . 1 1 129 129 TYR HA H 129 4.353 4.353 4.656 -0.303 18389 680 1 . 1 1 129 129 TYR C C 129 169.992 169.992 173.751 -3.759 18389 681 1 . 1 1 129 129 TYR CA C 129 56.345 56.345 57.359 -1.014 18389 682 1 . 1 1 129 129 TYR CB C 129 38.447 38.447 39.613 -1.166 18389 683 1 . 1 1 129 129 TYR H H 129 7.002 7.002 7.632 -0.630 18389 684 1 . 1 1 130 130 GLN N N 130 121.469 121.469 124.026 -2.557 18389 685 1 . 1 1 130 130 GLN HA H 130 3.909 3.909 4.270 -0.361 18389 686 1 . 1 1 130 130 GLN C C 130 170.223 170.223 173.300 -3.077 18389 687 1 . 1 1 130 130 GLN CA C 130 49.789 49.789 52.735 -2.946 18389 688 1 . 1 1 130 130 GLN CB C 130 29.625 29.625 30.890 -1.265 18389 689 1 . 1 1 130 130 GLN H H 130 6.288 6.288 7.949 -1.661 18389 690 1 . 1 1 132 132 PRO HA H 132 4.410 4.410 4.355 0.055 18389 691 1 . 1 1 132 132 PRO C C 132 175.720 175.720 177.265 -1.545 18389 692 1 . 1 1 132 132 PRO CA C 132 62.073 62.073 63.974 -1.901 18389 693 1 . 1 1 132 132 PRO CB C 132 29.115 29.115 32.072 -2.957 18389 694 1 . 1 1 133 133 GLY N N 133 104.558 104.558 108.617 -4.059 18389 695 1 . 1 1 133 133 GLY C C 133 171.229 171.229 173.517 -2.288 18389 696 1 . 1 1 133 133 GLY CA C 133 42.515 42.515 44.157 -1.642 18389 697 1 . 1 1 133 133 GLY H H 133 8.298 8.298 8.484 -0.186 18389 698 1 . 1 1 134 134 GLN N N 134 116.684 116.684 120.234 -3.550 18389 699 1 . 1 1 134 134 GLN HA H 134 4.367 4.367 4.383 -0.016 18389 700 1 . 1 1 134 134 GLN C C 134 172.815 172.815 174.929 -2.114 18389 701 1 . 1 1 134 134 GLN CA C 134 53.804 53.804 54.759 -0.955 18389 702 1 . 1 1 134 134 GLN CB C 134 24.866 24.866 29.917 -5.051 18389 703 1 . 1 1 134 134 GLN H H 134 7.273 7.273 7.551 -0.278 18389 704 1 . 1 1 135 135 ASP N N 135 118.688 118.688 121.651 -2.963 18389 705 1 . 1 1 135 135 ASP HA H 135 4.362 4.362 4.550 -0.188 18389 706 1 . 1 1 135 135 ASP C C 135 174.301 174.301 176.030 -1.729 18389 707 1 . 1 1 135 135 ASP CA C 135 51.810 51.810 54.462 -2.652 18389 708 1 . 1 1 135 135 ASP CB C 135 36.904 36.904 41.413 -4.509 18389 709 1 . 1 1 135 135 ASP H H 135 8.844 8.844 8.577 0.267 18389 710 1 . 1 1 136 136 MET N N 136 114.721 114.721 120.274 -5.553 18389 711 1 . 1 1 136 136 MET HA H 136 4.035 4.035 4.522 -0.487 18389 712 1 . 1 1 136 136 MET C C 136 174.252 174.252 176.247 -1.995 18389 713 1 . 1 1 136 136 MET CA C 136 54.461 54.461 55.126 -0.665 18389 714 1 . 1 1 136 136 MET CB C 136 29.439 29.439 31.870 -2.431 18389 715 1 . 1 1 136 136 MET H H 136 7.585 7.585 8.294 -0.709 18389 716 1 . 1 1 137 137 SER N N 137 118.130 118.130 114.811 3.319 18389 717 1 . 1 1 137 137 SER HA H 137 4.392 4.392 4.434 -0.042 18389 718 1 . 1 1 137 137 SER C C 137 174.811 174.811 176.155 -1.344 18389 719 1 . 1 1 137 137 SER CA C 137 57.841 57.841 59.206 -1.365 18389 720 1 . 1 1 137 137 SER CB C 137 62.369 62.369 63.829 -1.460 18389 721 1 . 1 1 137 137 SER H H 137 9.140 9.140 8.473 0.667 18389 722 1 . 1 1 138 138 GLY N N 138 114.534 114.534 110.997 3.537 18389 723 1 . 1 1 138 138 GLY C C 138 170.903 170.903 174.039 -3.136 18389 724 1 . 1 1 138 138 GLY CA C 138 44.197 44.197 45.844 -1.647 18389 725 1 . 1 1 138 138 GLY H H 138 10.549 10.549 8.721 1.828 18389 726 1 . 1 1 139 139 THR N N 139 112.564 112.564 114.323 -1.759 18389 727 1 . 1 1 139 139 THR HA H 139 4.538 4.538 4.585 -0.047 18389 728 1 . 1 1 139 139 THR C C 139 168.086 168.086 172.990 -4.904 18389 729 1 . 1 1 139 139 THR CA C 139 57.132 57.132 60.465 -3.333 18389 730 1 . 1 1 139 139 THR CB C 139 68.854 68.854 71.587 -2.733 18389 731 1 . 1 1 139 139 THR H H 139 8.504 8.504 7.618 0.886 18389 732 1 . 1 1 140 140 LEU N N 140 129.971 129.971 123.303 6.668 18389 733 1 . 1 1 140 140 LEU HA H 140 3.771 3.771 4.145 -0.374 18389 734 1 . 1 1 140 140 LEU C C 140 172.175 172.175 175.618 -3.443 18389 735 1 . 1 1 140 140 LEU CA C 140 51.335 51.335 53.746 -2.411 18389 736 1 . 1 1 140 140 LEU CB C 140 35.872 35.872 41.488 -5.615 18389 737 1 . 1 1 140 140 LEU H H 140 7.900 7.900 7.840 0.060 18389 738 1 . 1 1 141 141 ASP N N 141 132.200 132.200 126.991 5.209 18389 739 1 . 1 1 141 141 ASP HA H 141 4.704 4.704 4.729 -0.025 18389 740 1 . 1 1 141 141 ASP C C 141 172.137 172.137 175.867 -3.730 18389 741 1 . 1 1 141 141 ASP CA C 141 51.692 51.692 53.430 -1.738 18389 742 1 . 1 1 141 141 ASP CB C 141 38.561 38.561 41.436 -2.875 18389 743 1 . 1 1 141 141 ASP H H 141 9.101 9.101 8.795 0.306 18389 744 1 . 1 1 142 142 LEU N N 142 122.667 122.667 123.358 -0.691 18389 745 1 . 1 1 142 142 LEU HA H 142 3.740 3.740 3.912 -0.172 18389 746 1 . 1 1 142 142 LEU CA C 142 53.747 53.747 55.772 -2.025 18389 747 1 . 1 1 142 142 LEU CB C 142 39.898 39.898 40.768 -0.871 18389 748 1 . 1 1 142 142 LEU H H 142 7.799 7.799 8.311 -0.512 18389 749 1 . 1 1 143 143 ASP N N 143 112.789 112.789 116.937 -4.148 18389 750 1 . 1 1 143 143 ASP HA H 143 4.916 4.916 4.475 0.441 18389 751 1 . 1 1 143 143 ASP C C 143 173.547 173.547 176.084 -2.538 18389 752 1 . 1 1 143 143 ASP CA C 143 51.101 51.101 55.487 -4.386 18389 753 1 . 1 1 143 143 ASP CB C 143 37.298 37.298 41.262 -3.964 18389 754 1 . 1 1 143 143 ASP H H 143 8.473 8.473 8.137 0.336 18389 755 1 . 1 1 144 144 ASN N N 144 120.743 120.743 116.591 4.152 18389 756 1 . 1 1 144 144 ASN HA H 144 5.079 5.079 4.825 0.254 18389 757 1 . 1 1 144 144 ASN C C 144 171.278 171.278 173.380 -2.102 18389 758 1 . 1 1 144 144 ASN CA C 144 49.474 49.474 52.329 -2.855 18389 759 1 . 1 1 144 144 ASN CB C 144 38.179 38.179 39.788 -1.609 18389 760 1 . 1 1 144 144 ASN H H 144 7.867 7.867 7.677 0.190 18389 761 1 . 1 1 145 145 ILE N N 145 122.844 122.844 120.917 1.927 18389 762 1 . 1 1 145 145 ILE HA H 145 3.840 3.840 4.285 -0.445 18389 763 1 . 1 1 145 145 ILE C C 145 172.420 172.420 175.239 -2.819 18389 764 1 . 1 1 145 145 ILE CA C 145 57.861 57.861 59.850 -1.989 18389 765 1 . 1 1 145 145 ILE CB C 145 33.407 33.407 37.965 -4.558 18389 766 1 . 1 1 145 145 ILE H H 145 8.770 8.770 7.950 0.820 18389 767 1 . 1 1 146 146 ASP N N 146 125.428 125.428 126.350 -0.922 18389 768 1 . 1 1 146 146 ASP HA H 146 4.653 4.653 4.673 -0.020 18389 769 1 . 1 1 146 146 ASP C C 146 172.931 172.931 175.697 -2.766 18389 770 1 . 1 1 146 146 ASP CA C 146 53.352 53.352 55.663 -2.311 18389 771 1 . 1 1 146 146 ASP CB C 146 43.912 43.912 43.674 0.238 18389 772 1 . 1 1 146 146 ASP H H 146 9.355 9.355 8.989 0.366 18389 773 1 . 1 1 147 147 SER N N 147 108.442 108.442 111.093 -2.651 18389 774 1 . 1 1 147 147 SER HA H 147 5.054 5.054 5.149 -0.095 18389 775 1 . 1 1 147 147 SER C C 147 169.957 169.957 172.559 -2.602 18389 776 1 . 1 1 147 147 SER CA C 147 54.584 54.584 57.460 -2.876 18389 777 1 . 1 1 147 147 SER CB C 147 62.518 62.518 66.388 -3.870 18389 778 1 . 1 1 147 147 SER H H 147 7.927 7.927 7.727 0.200 18389 779 1 . 1 1 148 148 ILE N N 148 110.150 110.150 115.403 -5.253 18389 780 1 . 1 1 148 148 ILE HA H 148 5.649 5.649 5.142 0.507 18389 781 1 . 1 1 148 148 ILE C C 148 171.932 171.932 173.969 -2.037 18389 782 1 . 1 1 148 148 ILE CA C 148 56.622 56.622 59.431 -2.809 18389 783 1 . 1 1 148 148 ILE CB C 148 38.713 38.713 41.438 -2.725 18389 784 1 . 1 1 148 148 ILE H H 148 8.043 8.043 8.636 -0.593 18389 785 1 . 1 1 149 149 HIS N N 149 118.612 118.612 120.880 -2.268 18389 786 1 . 1 1 149 149 HIS HA H 149 6.490 6.490 5.313 1.177 18389 787 1 . 1 1 149 149 HIS C C 149 174.287 174.287 173.932 0.355 18389 788 1 . 1 1 149 149 HIS CA C 149 51.902 51.902 54.786 -2.884 18389 789 1 . 1 1 149 149 HIS CB C 149 33.959 33.959 34.924 -0.965 18389 790 1 . 1 1 149 149 HIS H H 149 9.331 9.331 8.889 0.442 18389 791 1 . 1 1 150 150 PHE N N 150 117.037 117.037 121.774 -4.737 18389 792 1 . 1 1 150 150 PHE HA H 150 5.530 5.530 4.906 0.624 18389 793 1 . 1 1 150 150 PHE C C 150 172.808 172.808 174.232 -1.424 18389 794 1 . 1 1 150 150 PHE CA C 150 56.503 56.503 57.259 -0.756 18389 795 1 . 1 1 150 150 PHE CB C 150 39.280 39.280 41.092 -1.812 18389 796 1 . 1 1 150 150 PHE H H 150 8.788 8.788 8.353 0.435 18389 797 1 . 1 1 151 151 MET N N 151 119.781 119.781 120.775 -0.994 18389 798 1 . 1 1 151 151 MET HA H 151 4.664 4.664 4.357 0.307 18389 799 1 . 1 1 151 151 MET C C 151 170.282 170.282 173.828 -3.546 18389 800 1 . 1 1 151 151 MET CA C 151 52.146 52.146 53.780 -1.634 18389 801 1 . 1 1 151 151 MET CB C 151 34.947 34.947 37.081 -2.134 18389 802 1 . 1 1 151 151 MET H H 151 9.761 9.761 8.458 1.303 18389 803 1 . 1 1 152 152 TYR N N 152 117.149 117.149 119.054 -1.905 18389 804 1 . 1 1 152 152 TYR HA H 152 4.076 4.076 4.433 -0.357 18389 805 1 . 1 1 152 152 TYR C C 152 171.554 171.554 174.553 -2.999 18389 806 1 . 1 1 152 152 TYR CA C 152 55.345 55.345 56.989 -1.644 18389 807 1 . 1 1 152 152 TYR CB C 152 36.904 36.904 37.987 -1.083 18389 808 1 . 1 1 152 152 TYR H H 152 6.275 6.275 8.065 -1.790 18389 809 1 . 1 1 153 153 ALA N N 153 121.523 121.523 123.960 -2.437 18389 810 1 . 1 1 153 153 ALA HA H 153 4.163 4.163 4.348 -0.185 18389 811 1 . 1 1 153 153 ALA C C 153 173.777 173.777 175.839 -2.062 18389 812 1 . 1 1 153 153 ALA CA C 153 49.185 49.185 52.151 -2.966 18389 813 1 . 1 1 153 153 ALA CB C 153 19.965 19.965 19.753 0.212 18389 814 1 . 1 1 153 153 ALA H H 153 10.019 10.019 8.411 1.608 18389 815 1 . 1 1 154 154 ASN N N 154 114.643 114.643 115.831 -1.188 18389 816 1 . 1 1 154 154 ASN HA H 154 5.184 5.184 4.859 0.325 18389 817 1 . 1 1 154 154 ASN C C 154 173.267 173.267 173.876 -0.609 18389 818 1 . 1 1 154 154 ASN CA C 154 49.915 49.915 52.658 -2.743 18389 819 1 . 1 1 154 154 ASN CB C 154 36.713 36.713 40.527 -3.814 18389 820 1 . 1 1 154 154 ASN H H 154 8.141 8.141 7.883 0.257 18389 821 1 . 1 1 156 156 LYS N N 156 119.099 119.099 120.851 -1.752 18389 822 1 . 1 1 156 156 LYS HA H 156 4.738 4.738 4.374 0.364 18389 823 1 . 1 1 156 156 LYS C C 156 173.965 173.965 175.800 -1.835 18389 824 1 . 1 1 156 156 LYS CA C 156 53.872 53.872 56.057 -2.185 18389 825 1 . 1 1 156 156 LYS CB C 156 30.426 30.426 33.855 -3.429 18389 826 1 . 1 1 156 156 LYS H H 156 8.298 8.298 8.027 0.271 18389 827 1 . 1 1 157 157 SER N N 157 115.584 115.584 115.146 0.438 18389 828 1 . 1 1 157 157 SER HA H 157 5.055 5.055 4.410 0.645 18389 829 1 . 1 1 157 157 SER C C 157 169.925 169.925 174.104 -4.179 18389 830 1 . 1 1 157 157 SER CA C 157 55.617 55.617 58.216 -2.599 18389 831 1 . 1 1 157 157 SER CB C 157 63.180 63.180 64.403 -1.223 18389 832 1 . 1 1 157 157 SER H H 157 8.240 8.240 8.337 -0.097 18389 833 1 . 1 1 158 158 GLY N N 158 108.219 108.219 109.313 -1.094 18389 834 1 . 1 1 158 158 GLY C C 158 168.322 168.322 171.512 -3.190 18389 835 1 . 1 1 158 158 GLY CA C 158 43.565 43.565 45.348 -1.783 18389 836 1 . 1 1 158 158 GLY H H 158 6.942 6.942 8.212 -1.270 18389 837 1 . 1 1 159 159 LYS N N 159 116.608 116.608 119.561 -2.953 18389 838 1 . 1 1 159 159 LYS HA H 159 5.521 5.521 5.400 0.121 18389 839 1 . 1 1 159 159 LYS C C 159 172.966 172.966 175.008 -2.042 18389 840 1 . 1 1 159 159 LYS CA C 159 53.141 53.141 54.857 -1.716 18389 841 1 . 1 1 159 159 LYS CB C 159 34.705 34.705 36.285 -1.580 18389 842 1 . 1 1 159 159 LYS H H 159 7.925 7.925 8.189 -0.264 18389 843 1 . 1 1 160 160 PHE N N 160 121.804 121.804 119.889 1.915 18389 844 1 . 1 1 160 160 PHE HA H 160 5.525 5.525 5.181 0.344 18389 845 1 . 1 1 160 160 PHE C C 160 168.125 168.125 173.282 -5.158 18389 846 1 . 1 1 160 160 PHE CA C 160 53.315 53.315 56.508 -3.193 18389 847 1 . 1 1 160 160 PHE CB C 160 39.051 39.051 43.067 -4.016 18389 848 1 . 1 1 160 160 PHE H H 160 8.834 8.834 9.084 -0.250 18389 849 1 . 1 1 161 161 VAL N N 161 119.787 119.787 117.395 2.392 18389 850 1 . 1 1 161 161 VAL HA H 161 5.378 5.378 5.121 0.257 18389 851 1 . 1 1 161 161 VAL C C 161 170.736 170.736 174.369 -3.633 18389 852 1 . 1 1 161 161 VAL CA C 161 56.656 56.656 60.127 -3.471 18389 853 1 . 1 1 161 161 VAL CB C 161 31.937 31.937 35.105 -3.168 18389 854 1 . 1 1 161 161 VAL H H 161 9.277 9.277 8.823 0.454 18389 855 1 . 1 1 162 162 VAL N N 162 121.357 121.357 121.352 0.005 18389 856 1 . 1 1 162 162 VAL HA H 162 5.967 5.967 5.245 0.722 18389 857 1 . 1 1 162 162 VAL C C 162 170.928 170.928 174.017 -3.089 18389 858 1 . 1 1 162 162 VAL CA C 162 55.686 55.686 59.547 -3.861 18389 859 1 . 1 1 162 162 VAL CB C 162 33.842 33.842 35.635 -1.793 18389 860 1 . 1 1 162 162 VAL H H 162 8.453 8.453 8.790 -0.337 18389 861 1 . 1 1 163 163 ASP N N 163 119.088 119.088 122.895 -3.807 18389 862 1 . 1 1 163 163 ASP HA H 163 5.579 5.579 5.280 0.299 18389 863 1 . 1 1 163 163 ASP C C 163 172.563 172.563 174.798 -2.235 18389 864 1 . 1 1 163 163 ASP CA C 163 49.482 49.482 52.505 -3.023 18389 865 1 . 1 1 163 163 ASP CB C 163 42.463 42.463 45.025 -2.562 18389 866 1 . 1 1 163 163 ASP H H 163 9.233 9.233 8.573 0.660 18389 867 1 . 1 1 164 164 ASN N N 164 117.316 117.316 116.685 0.631 18389 868 1 . 1 1 164 164 ASN HA H 164 4.649 4.649 4.511 0.139 18389 869 1 . 1 1 164 164 ASN C C 164 170.940 170.940 174.468 -3.528 18389 870 1 . 1 1 164 164 ASN CA C 164 52.672 52.672 54.378 -1.706 18389 871 1 . 1 1 164 164 ASN CB C 164 35.395 35.395 37.604 -2.209 18389 872 1 . 1 1 164 164 ASN H H 164 9.864 9.864 8.908 0.956 18389 873 1 . 1 1 165 165 ILE N N 165 118.660 118.660 120.359 -1.700 18389 874 1 . 1 1 165 165 ILE HA H 165 5.439 5.439 4.572 0.867 18389 875 1 . 1 1 165 165 ILE C C 165 173.336 173.336 175.225 -1.889 18389 876 1 . 1 1 165 165 ILE CA C 165 59.155 59.155 61.857 -2.702 18389 877 1 . 1 1 165 165 ILE CB C 165 35.187 35.187 37.874 -2.687 18389 878 1 . 1 1 165 165 ILE H H 165 8.716 8.716 8.272 0.444 18389 879 1 . 1 1 166 166 LYS N N 166 127.896 127.896 125.405 2.491 18389 880 1 . 1 1 166 166 LYS HA H 166 5.178 5.178 5.095 0.083 18389 881 1 . 1 1 166 166 LYS C C 166 170.453 170.453 174.587 -4.134 18389 882 1 . 1 1 166 166 LYS CA C 166 52.524 52.524 54.141 -1.617 18389 883 1 . 1 1 166 166 LYS CB C 166 35.246 35.246 36.780 -1.534 18389 884 1 . 1 1 166 166 LYS H H 166 9.921 9.921 9.031 0.890 18389 885 1 . 1 1 167 167 LEU N N 167 120.747 120.747 120.928 -0.181 18389 886 1 . 1 1 167 167 LEU HA H 167 4.836 4.836 4.832 0.004 18389 887 1 . 1 1 167 167 LEU C C 167 173.703 173.703 175.440 -1.737 18389 888 1 . 1 1 167 167 LEU CA C 167 50.579 50.579 53.448 -2.869 18389 889 1 . 1 1 167 167 LEU CB C 167 40.711 40.711 44.038 -3.327 18389 890 1 . 1 1 167 167 LEU H H 167 8.552 8.552 8.614 -0.062 18389 891 1 . 1 1 168 168 ILE N N 168 116.914 116.914 120.980 -4.066 18389 892 1 . 1 1 168 168 ILE HA H 168 4.989 4.989 4.782 0.207 18389 893 1 . 1 1 168 168 ILE C C 168 173.923 173.923 176.173 -2.250 18389 894 1 . 1 1 168 168 ILE CA C 168 57.376 57.376 58.733 -1.357 18389 895 1 . 1 1 168 168 ILE CB C 168 38.938 38.938 39.648 -0.710 18389 896 1 . 1 1 168 168 ILE H H 168 8.523 8.523 8.864 -0.341 18389 897 1 . 1 1 169 169 GLY N N 169 114.527 114.527 113.487 1.040 18389 898 1 . 1 1 169 169 GLY C C 169 169.252 169.252 173.347 -4.095 18389 899 1 . 1 1 169 169 GLY CA C 169 42.925 42.925 44.662 -1.737 18389 900 1 . 1 1 169 169 GLY H H 169 8.942 8.942 8.865 0.077 18389 901 1 . 1 1 170 170 ALA N N 170 123.678 123.678 121.809 1.869 18389 902 1 . 1 1 170 170 ALA HA H 170 4.424 4.424 4.509 -0.085 18389 903 1 . 1 1 170 170 ALA C C 170 174.985 174.985 176.817 -1.832 18389 904 1 . 1 1 170 170 ALA CA C 170 49.344 49.344 51.720 -2.376 18389 905 1 . 1 1 170 170 ALA CB C 170 17.087 17.087 20.230 -3.143 18389 906 1 . 1 1 170 170 ALA H H 170 8.321 8.321 7.961 0.360 18389 907 1 . 1 1 171 171 LEU N N 171 122.139 122.139 119.845 2.294 18389 908 1 . 1 1 171 171 LEU HA H 171 4.405 4.405 4.664 -0.259 18389 909 1 . 1 1 171 171 LEU C C 171 174.478 174.478 175.770 -1.292 18389 910 1 . 1 1 171 171 LEU CA C 171 52.634 52.634 54.782 -2.148 18389 911 1 . 1 1 171 171 LEU CB C 171 40.111 40.111 42.091 -1.980 18389 912 1 . 1 1 171 171 LEU H H 171 8.182 8.182 8.366 -0.184 18389 stop_ save_